A0A075BLW4_DROME Loading...

Stonewall

AlphaFold DB , UniProt , Accession A0A075BLW4, Species DROME (Drosophila melanogaster, Fruit fly), Gene stwl, Length 983 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1E73.3Confident84.7Confident162 Ų16298.8 Ų98.876%0.75743%0.428SS*.  0-70.50-75.6174.3-109.300117.9C3 K4 R5E1-C3 PolarHBondContact O-N 2.81Å; E1-K4 WeakPolarHBondContact O-CA 3.04Å; E1-K4 VanDerWaalsContact O-CB 3.26Å; E1-K4 WeakPolarHBondContact O-CB 3.07Å; E1-K4 PolarHBondContact O-N 3.04Å; E1-R5 PolarHBondContact O-N 3.27Å; E1-R5 IonicContact OE2-NH1 3.02Å; E1-R5 IonicContact OE2-NH2 2.72Å
2K79.6Confident85.2Confident170 Ų17096.2 Ų96.274%0.73942%0.422SS*.Hα-helixtrans-52.2-49.9-158.9-68.4177.9-178172.70114K4 R5 R6K2-K4 VanDerWaalsContact C-N 3.33Å; K2-K4 PolarHBondContact O-N 3.49Å; K2-R5 PolarHBondContact O-N 3.05Å; K2-R6 WeakPolarHBondContact O-CB 3.41Å; K2-R6 PolarHBondContact O-N 3.04Å
3C74.6Confident85.6Confident73 Ų7392.9 Ų92.949%0.49341%0.412SS..Hα-helixtrans-54.3-43.9173.3176.10000112.6E1 R6 W7E1-C3 PolarHBondContact O-N 2.81Å; C3-R6 CarbonylContact O-C 3.58Å; C3-R6 PolarHBondContact O-N 3.25Å; C3-R6 VanDerWaalsContact O-N 3.17Å; C3-W7 WeakPolarHBondContact O-CB 3.4Å; C3-W7 PolarHBondContact O-N 2.96Å
4K83.6Confident86.1Confident17 Ų1786.4 Ų86.47%0.07438%0.383CS..Hα-helixtrans-62.8-43.8175.9-170.9179.2-166.2-176.20112.9E1 K2 R6 W7 R8 L585 T588 F589E1-K4 WeakPolarHBondContact O-CA 3.04Å; E1-K4 VanDerWaalsContact O-CB 3.26Å; E1-K4 WeakPolarHBondContact O-CB 3.07Å; E1-K4 PolarHBondContact O-N 3.04Å; K2-K4 VanDerWaalsContact C-N 3.33Å; K2-K4 PolarHBondContact O-N 3.49Å; K4-R6 PolarHBondContact O-N 3.49Å; K4-W7 PolarHBondContact O-N 3.42Å; K4-R8 WeakPolarHBondContact O-CB 3.32Å; K4-R8 WeakPolarHBondContact O-CG 3.42Å; K4-R8 PolarHBondContact O-N 3.21Å; K4-L585 HydrophobicContact CB-CD2 4.37Å; K4-L585 HydrophobicContact CD-CD2 3.76Å; K4-L585 WeakPolarHBondContact CE-O 3.37Å; K4-L585 HydrophobicContact CG-CD2 3.67Å; K4-L585 PolarHBondContact NZ-O 2.95Å; K4-T588 VanDerWaalsContact CD-OG1 3.28Å; K4-T588 WeakPolarHBondContact CD-OG1 3.48Å; K4-T588 PolarHBondContact NZ-O 3.06Å; K4-T588 PolarHBondContact NZ-OG1 3.45Å; K4-F589 VanDerWaalsContact NZ-CG 3.26Å
5R86.8Confident86.3Confident137 Ų13782.9 Ų82.952%0.51737%0.371SS..Hα-helixtrans-60.4-34.6175.3-174.1174-76.9125.52.6111.2E1 K2 Q9E1-R5 PolarHBondContact O-N 3.27Å; E1-R5 IonicContact OE2-NH1 3.02Å; E1-R5 IonicContact OE2-NH2 2.72Å; K2-R5 PolarHBondContact O-N 3.05Å; R5-Q9 PolarHBondContact O-N 2.72Å
6R88.1Confident86.5Confident105 Ų10586.6 Ų86.640%0.39638%0.382SS..Hα-helixtrans-80.9-38.7-179.6-17445.8168.5-171.8-2.6113.8K2 C3 K4 Q9 L10 D555K2-R6 WeakPolarHBondContact O-CB 3.41Å; K2-R6 PolarHBondContact O-N 3.04Å; C3-R6 CarbonylContact O-C 3.58Å; C3-R6 PolarHBondContact O-N 3.25Å; C3-R6 VanDerWaalsContact O-N 3.17Å; K4-R6 PolarHBondContact O-N 3.49Å; R6-Q9 VanDerWaalsContact NH1-OE1 3.09Å; R6-Q9 WeakPolarHBondContact O-CA 3.21Å; R6-Q9 WeakPolarHBondContact O-CB 3.23Å; R6-Q9 PolarHBondContact O-N 3.33Å; R6-Q9 VanDerWaalsContact O-N 3.08Å; R6-L10 PolarHBondContact O-N 3.04Å; R6-D555 WeakPolarHBondContact CG-OD1 3.28Å; R6-D555 WeakPolarHBondContact CG-OD2 3.43Å; R6-D555 IonicContact CZ-OD2 2.75Å; R6-D555 IonicContact NE-OD1 3.93Å; R6-D555 IonicContact NE-OD2 3.59Å; R6-D555 PolarHBondContact NE-OD2 3.2Å; R6-D555 IonicContact NH2-OD2 2.76Å; R6-D555 PolarHBondContact NH2-OD2 2.91Å
7W88.3Confident86.8Confident101 Ų10183.8 Ų83.838%0.38337%0.368SS..Hα-helixtrans-61.5-41.7169.2-176-115.8000112C3 K4 Q9 L10 R11 L40 F42 L43C3-W7 WeakPolarHBondContact O-CB 3.4Å; C3-W7 PolarHBondContact O-N 2.96Å; K4-W7 PolarHBondContact O-N 3.42Å; W7-Q9 VanDerWaalsContact C-N 3.27Å; W7-Q9 PolarHBondContact O-N 3.31Å; W7-L10 HydrophobicContact CE3-CB 4.37Å; W7-L10 HydrophobicContact CE3-CD2 3.78Å; W7-L10 HydrophobicContact CH2-CD2 4.48Å; W7-L10 HydrophobicContact CZ3-CD2 3.49Å; W7-L10 VanDerWaalsContact CZ3-CD2 3.49Å; W7-L10 PolarHBondContact O-N 2.81Å; W7-R11 PolarHBondContact O-N 3.11Å; W7-L40 HydrophobicContact CH2-CD2 3.89Å; W7-L40 HydrophobicContact CZ3-CD2 4.15Å; W7-F42 AromaticContact CH2-CZ 3.91Å; W7-F42 HydrophobicContact CH2-CZ 3.91Å; W7-F42 HydrophobicContact CZ2-CZ 4.15Å; W7-L43 HydrophobicContact CH2-CD1 4.37Å; W7-L43 HydrophobicContact CZ2-CD1 4.32Å; W7-L43 HydrophobicContact CZ2-CD2 4.31Å
8R87.1Confident86.9Confident76 Ų7679.7 Ų79.729%0.28735%0.351SS..Hα-helixtrans-54.8-42170-72.7166179.1166.9-2.4111.2K4 N12 T588 F589K4-R8 WeakPolarHBondContact O-CB 3.32Å; K4-R8 WeakPolarHBondContact O-CG 3.42Å; K4-R8 PolarHBondContact O-N 3.21Å; R8-N12 VanDerWaalsContact O-CB 3.3Å; R8-N12 WeakPolarHBondContact O-CB 3.31Å; R8-N12 PolarHBondContact O-N 3.09Å; R8-N12 PolarHBondContact O-ND2 3.47Å; R8-T588 PolarHBondContact NH2-O 2.78Å; R8-T588 VanDerWaalsContact NH2-O 3.12Å; R8-F589 HydrophobicContact CG-CZ 4.13Å; R8-F589 VanDerWaalsContact CZ-CE1 3.48Å; R8-F589 VanDerWaalsContact NE-CZ 3.3Å
9Q90.9Very high86.8Confident89 Ų8979.9 Ų79.942%0.41636%0.356SS..Hα-helixtrans-65.1-51.6175.3-176.5178.320.500111.5R5 R6 W7 R11 N12 D13R5-Q9 PolarHBondContact O-N 2.72Å; R6-Q9 VanDerWaalsContact NH1-OE1 3.09Å; R6-Q9 WeakPolarHBondContact O-CA 3.21Å; R6-Q9 WeakPolarHBondContact O-CB 3.23Å; R6-Q9 PolarHBondContact O-N 3.33Å; R6-Q9 VanDerWaalsContact O-N 3.08Å; W7-Q9 VanDerWaalsContact C-N 3.27Å; W7-Q9 PolarHBondContact O-N 3.31Å; Q9-R11 PolarHBondContact O-N 2.81Å; Q9-N12 PolarHBondContact O-N 3.28Å; Q9-N12 VanDerWaalsContact O-N 3.07Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.38Å; Q9-D13 PolarHBondContact O-N 3.02Å
10L91.3Very high86.8Confident39 Ų3977.8 Ų77.820%0.20435%0.354CS..Hα-helixtrans-53.6-51.3-179-150.886.6000112R6 W7 N12 D13 Y14 L36 L40R6-L10 PolarHBondContact O-N 3.04Å; W7-L10 HydrophobicContact CE3-CB 4.37Å; W7-L10 HydrophobicContact CE3-CD2 3.78Å; W7-L10 HydrophobicContact CH2-CD2 4.48Å; W7-L10 HydrophobicContact CZ3-CD2 3.49Å; W7-L10 VanDerWaalsContact CZ3-CD2 3.49Å; W7-L10 PolarHBondContact O-N 2.81Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.26Å; L10-D13 PolarHBondContact O-N 3.26Å; L10-Y14 WeakPolarHBondContact O-CB 3.48Å; L10-Y14 PolarHBondContact O-N 2.95Å; L10-L36 HydrophobicContact CD1-CD1 3.64Å; L10-L36 HydrophobicContact CD2-CD1 4.26Å; L10-L36 HydrophobicContact CG-CD1 4.13Å; L10-L40 HydrophobicContact CD2-CD1 3.92Å; L10-L40 HydrophobicContact CD2-CD2 4.04Å; L10-L40 HydrophobicContact CG-CD1 4.14Å
11R88.1Confident86.7Confident118 Ų11874.2 Ų74.245%0.44534%0.338SS..Hα-helixtrans-60-42.4176.8-169.2-175.587158.96.2111.7W7 Q9 Y14 T15 L43 L47W7-R11 PolarHBondContact O-N 3.11Å; Q9-R11 PolarHBondContact O-N 2.81Å; R11-Y14 PolarHBondContact O-N 2.93Å; R11-T15 WeakPolarHBondContact O-CB 3.36Å; R11-T15 PolarHBondContact O-N 2.76Å; R11-T15 PolarHBondContact O-OG1 3.3Å; R11-L43 HydrophobicContact CG-CD1 4.23Å; R11-L47 HydrophobicContact CG-CD2 4.15Å
12N90.8Very high87.1Confident67 Ų6767.6 Ų67.636%0.35831%0.311SS..Hα-helixtrans-69.4-34.9-178.7-72.7-17.6000112.3R8 Q9 L10 R16R8-N12 VanDerWaalsContact O-CB 3.3Å; R8-N12 WeakPolarHBondContact O-CB 3.31Å; R8-N12 PolarHBondContact O-N 3.09Å; R8-N12 PolarHBondContact O-ND2 3.47Å; Q9-N12 PolarHBondContact O-N 3.28Å; Q9-N12 VanDerWaalsContact O-N 3.07Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.26Å; N12-R16 WeakPolarHBondContact O-CB 3.41Å; N12-R16 VanDerWaalsContact O-CG 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.44Å; N12-R16 PolarHBondContact O-N 2.84Å; N12-R16 PolarHBondContact O-NE 2.84Å
13D91Very high87.2Confident54 Ų5463.3 Ų63.329%0.28930%0.296SS..Hα-helixtrans-72.8-39.3174.5-73.3-38.3000112.1Q9 L10 R16 W17Q9-D13 WeakPolarHBondContact CG-OD2 3.38Å; Q9-D13 PolarHBondContact O-N 3.02Å; L10-D13 PolarHBondContact O-N 3.26Å; D13-R16 WeakPolarHBondContact O-CB 3.17Å; D13-R16 PolarHBondContact O-N 3.45Å; D13-R16 IonicContact OD1-CZ 3.51Å; D13-R16 IonicContact OD1-NE 3.19Å; D13-R16 PolarHBondContact OD1-NE 2.7Å; D13-R16 IonicContact OD1-NH2 3.11Å; D13-R16 PolarHBondContact OD1-NH2 2.98Å; D13-R16 IonicContact OD2-NH2 3.33Å; D13-W17 PolarHBondContact O-N 2.86Å
14Y91.8Very high87.6Confident1 Ų163.3 Ų63.30%0.00429%0.286CS..Hα-helixtrans-60.1-48.9169.8-173.7-111.9000112L10 R11 R16 W17 C18 Y34 A37 L40 R41 L43 D44 L47L10-Y14 WeakPolarHBondContact O-CB 3.48Å; L10-Y14 PolarHBondContact O-N 2.95Å; R11-Y14 PolarHBondContact O-N 2.93Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 2.77Å; Y14-W17 AromaticContact CD2-CE3 3.94Å; Y14-W17 HydrophobicContact CD2-CE3 3.94Å; Y14-W17 HydrophobicContact CD2-CZ3 4.36Å; Y14-W17 AromaticContact CE2-CE3 3.69Å; Y14-W17 HydrophobicContact CE2-CE3 3.69Å; Y14-W17 AromaticContact CE2-CZ3 3.65Å; Y14-W17 HydrophobicContact CE2-CZ3 3.65Å; Y14-W17 CarbonylContact O-C 3.58Å; Y14-W17 WeakPolarHBondContact O-CA 3.44Å; Y14-W17 WeakPolarHBondContact O-CB 3.42Å; Y14-W17 PolarHBondContact O-N 3.32Å; Y14-C18 VanDerWaalsContact CE1-SG 3.51Å; Y14-C18 PolarHBondContact O-N 3.09Å; Y14-C18 PolarHBondContact O-SG 3.41Å; Y14-Y34 AromaticContact CD2-CD1 3.9Å; Y14-Y34 HydrophobicContact CD2-CD1 3.9Å; Y14-Y34 AromaticContact CD2-CE1 3.68Å; Y14-Y34 HydrophobicContact CD2-CE1 3.68Å; Y14-Y34 HydrophobicContact CE2-CD1 4.43Å; Y14-A37 PolarHBondContact OH-O 3.41Å; Y14-L40 HydrophobicContact CD1-CB 4.04Å; Y14-L40 HydrophobicContact CD2-CB 3.71Å; Y14-L40 HydrophobicContact CD2-CD1 3.95Å; Y14-L40 HydrophobicContact CD2-CG 4.46Å; Y14-L40 HydrophobicContact CE1-CB 4.02Å; Y14-L40 WeakPolarHBondContact CE1-O 3.36Å; Y14-L40 HydrophobicContact CE2-CB 3.68Å; Y14-L40 HydrophobicContact CG-CB 3.88Å; Y14-L40 HydrophobicContact CG-CD1 3.89Å; Y14-L40 PolarHBondContact OH-O 3.47Å; Y14-R41 VanDerWaalsContact OH-CA 3.29Å; Y14-R41 WeakPolarHBondContact OH-CA 3.49Å; Y14-R41 PolarHBondContact OH-N 3.31Å; Y14-L43 HydrophobicContact CD1-CB 4.28Å; Y14-L43 HydrophobicContact CD1-CD1 4.29Å; Y14-L43 HydrophobicContact CE1-CB 4.16Å; Y14-D44 PolarHBondContact OH-OD1 3.45Å; Y14-D44 PolarHBondContact OH-OD2 2.75Å; Y14-L47 HydrophobicContact CD1-CD1 3.83Å; Y14-L47 HydrophobicContact CE1-CD1 4.2Å
15T89.3Confident87.5Confident34 Ų3467.2 Ų67.221%0.20930%0.3CS..Hα-helixtrans-59.7-38.6177.4-50.60000111.6R11 N19 L47R11-T15 WeakPolarHBondContact O-CB 3.36Å; R11-T15 PolarHBondContact O-N 2.76Å; R11-T15 PolarHBondContact O-OG1 3.3Å; T15-N19 WeakPolarHBondContact O-CB 3.43Å; T15-N19 PolarHBondContact O-N 3.39Å; T15-N19 VanDerWaalsContact O-N 3.14Å; T15-N19 PolarHBondContact O-ND2 3.01Å; T15-L47 HydrophobicContact CG2-CD2 4.35Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.48Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.49Å
16R90.3Very high87.1Confident143 Ų14368.1 Ų68.154%0.5430%0.303SS..Hα-helixtrans-62.9-43.3172.4-82.7-178-82.6-908.9111.5N12 D13 Y14 A20N12-R16 WeakPolarHBondContact O-CB 3.41Å; N12-R16 VanDerWaalsContact O-CG 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.44Å; N12-R16 PolarHBondContact O-N 2.84Å; N12-R16 PolarHBondContact O-NE 2.84Å; D13-R16 WeakPolarHBondContact O-CB 3.17Å; D13-R16 PolarHBondContact O-N 3.45Å; D13-R16 IonicContact OD1-CZ 3.51Å; D13-R16 IonicContact OD1-NE 3.19Å; D13-R16 PolarHBondContact OD1-NE 2.7Å; D13-R16 IonicContact OD1-NH2 3.11Å; D13-R16 PolarHBondContact OD1-NH2 2.98Å; D13-R16 IonicContact OD2-NH2 3.33Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 2.77Å; R16-A20 WeakPolarHBondContact O-CB 3.42Å; R16-A20 PolarHBondContact O-N 3.32Å
17W91.4Very high86.8Confident39 Ų3968.8 Ų68.815%0.14832%0.315CS..Hα-helixtrans-64.9-49.9176.8173.478.4000112.2D13 Y14 N19 A20 D21 L32 Y34 A37D13-W17 PolarHBondContact O-N 2.86Å; Y14-W17 AromaticContact CD2-CE3 3.94Å; Y14-W17 HydrophobicContact CD2-CE3 3.94Å; Y14-W17 HydrophobicContact CD2-CZ3 4.36Å; Y14-W17 AromaticContact CE2-CE3 3.69Å; Y14-W17 HydrophobicContact CE2-CE3 3.69Å; Y14-W17 AromaticContact CE2-CZ3 3.65Å; Y14-W17 HydrophobicContact CE2-CZ3 3.65Å; Y14-W17 CarbonylContact O-C 3.58Å; Y14-W17 WeakPolarHBondContact O-CA 3.44Å; Y14-W17 WeakPolarHBondContact O-CB 3.42Å; Y14-W17 PolarHBondContact O-N 3.32Å; W17-N19 VanDerWaalsContact C-N 3.3Å; W17-N19 PolarHBondContact O-N 3.1Å; W17-A20 CarbonylContact O-C 3.48Å; W17-A20 WeakPolarHBondContact O-CA 3.43Å; W17-A20 WeakPolarHBondContact O-CB 3.46Å; W17-A20 PolarHBondContact O-N 3.47Å; W17-D21 HydrophobicContact CZ2-CB 4.46Å; W17-D21 WeakPolarHBondContact O-CB 3.49Å; W17-D21 PolarHBondContact O-N 2.94Å; W17-L32 WeakPolarHBondContact CZ2-O 3.45Å; W17-L32 PolarHBondContact NE1-O 3.24Å; W17-Y34 HydrophobicContact CB-CD2 4.25Å; W17-Y34 HydrophobicContact CB-CG 4.36Å; W17-Y34 HydrophobicContact CD2-CG 4.1Å; W17-Y34 HydrophobicContact CE3-CD1 4.46Å; W17-Y34 HydrophobicContact CG-CD2 4.24Å; W17-Y34 AromaticContact CG-CG 4Å; W17-Y34 HydrophobicContact CG-CG 4Å; W17-A37 HydrophobicContact CH2-CB 3.82Å; W17-A37 HydrophobicContact CZ2-CB 4.32Å; W17-A37 HydrophobicContact CZ3-CB 4.16Å
18C87.3Confident86.4Confident9 Ų967.6 Ų67.66%0.06133%0.333CS..Hα-helixtrans-59.4-39.6178.9-60.10000112.1Y14 D21 A22 I49Y14-C18 VanDerWaalsContact CE1-SG 3.51Å; Y14-C18 PolarHBondContact O-N 3.09Å; Y14-C18 PolarHBondContact O-SG 3.41Å; C18-D21 PolarHBondContact O-N 3Å; C18-A22 WeakPolarHBondContact O-CB 3.39Å; C18-A22 PolarHBondContact O-N 2.94Å; C18-I49 HydrophobicContact CB-CD1 3.53Å; C18-I49 HydrophobicContact CB-CG1 4.41Å; C18-I49 HydrophobicContact CB-CG2 4.31Å
19N85.9Confident86Confident84 Ų8469 Ų6945%0.44934%0.343SS..Hα-helixtrans-66.6-34.9173.7-83.1-84000112.8T15 W17 N23T15-N19 WeakPolarHBondContact O-CB 3.43Å; T15-N19 PolarHBondContact O-N 3.39Å; T15-N19 VanDerWaalsContact O-N 3.14Å; T15-N19 PolarHBondContact O-ND2 3.01Å; W17-N19 VanDerWaalsContact C-N 3.3Å; W17-N19 PolarHBondContact O-N 3.1Å; N19-N23 WeakPolarHBondContact O-CB 3.43Å; N19-N23 PolarHBondContact O-N 2.83Å; N19-N23 PolarHBondContact O-ND2 3.2Å
20A85.8Confident85.3Confident37 Ų3776 Ų7631%0.30637%0.366SS..Hα-helixtrans-70.5-37.6172.900000111.8R16 W17 N23 R24R16-A20 WeakPolarHBondContact O-CB 3.42Å; R16-A20 PolarHBondContact O-N 3.32Å; W17-A20 CarbonylContact O-C 3.48Å; W17-A20 WeakPolarHBondContact O-CA 3.43Å; W17-A20 WeakPolarHBondContact O-CB 3.46Å; W17-A20 PolarHBondContact O-N 3.47Å; A20-N23 PolarHBondContact O-N 3.38Å; A20-R24 VanDerWaalsContact O-CG 3.31Å; A20-R24 WeakPolarHBondContact O-CG 3.43Å; A20-R24 PolarHBondContact O-N 3.28Å
21D85.1Confident84.6Confident3 Ų380 Ų802%0.01638%0.378CS..Hα-helixtrans-71.5-43.4179.1-170.467.5000112.5W17 C18 N23 R24 R25 R31W17-D21 HydrophobicContact CZ2-CB 4.46Å; W17-D21 WeakPolarHBondContact O-CB 3.49Å; W17-D21 PolarHBondContact O-N 2.94Å; C18-D21 PolarHBondContact O-N 3Å; D21-N23 PolarHBondContact O-N 2.93Å; D21-R24 CarbonylContact O-C 3.55Å; D21-R24 WeakPolarHBondContact O-CA 3.49Å; D21-R24 WeakPolarHBondContact O-CB 3.29Å; D21-R24 PolarHBondContact O-N 3.03Å; D21-R25 PolarHBondContact O-N 3.36Å; D21-R31 VanDerWaalsContact OD1-CA 3.23Å; D21-R31 WeakPolarHBondContact OD1-CA 3.42Å; D21-R31 WeakPolarHBondContact OD1-CB 3.47Å; D21-R31 WeakPolarHBondContact OD1-CG 3.43Å; D21-R31 IonicContact OD1-NE 3.8Å; D21-R31 IonicContact OD2-CZ 3.51Å; D21-R31 IonicContact OD2-NE 2.75Å; D21-R31 PolarHBondContact OD2-NE 2.8Å; D21-R31 IonicContact OD2-NH2 3.87Å; D21-R31 PolarHBondContact OD2-NH2 2.9Å
22A82.8Confident84.1Confident23 Ų2378.6 Ų78.619%0.1938%0.379CS..Hα-helixtrans-57.8-38.9171.700000111.7C18 R26C18-A22 WeakPolarHBondContact O-CB 3.39Å; C18-A22 PolarHBondContact O-N 2.94Å; A22-R26 VanDerWaalsContact O-CG 3.32Å; A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 3.43Å
23N81.4Confident83.4Confident81 Ų8180.5 Ų80.543%0.43340%0.404SS..Hα-helixtrans-73-24.9173.2-72.6-43.2000113.1N19 A20 D21 N27N19-N23 WeakPolarHBondContact O-CB 3.43Å; N19-N23 PolarHBondContact O-N 2.83Å; N19-N23 PolarHBondContact O-ND2 3.2Å; A20-N23 PolarHBondContact O-N 3.38Å; D21-N23 PolarHBondContact O-N 2.93Å; N23-N27 WeakPolarHBondContact O-CB 3.34Å; N23-N27 VanDerWaalsContact O-CG 3.25Å; N23-N27 PolarHBondContact O-N 2.83Å; N23-N27 PolarHBondContact O-ND2 2.98Å
24R82.3Confident83Confident73 Ų7380.1 Ų80.128%0.27540%0.399SS..Hα-helixtrans-73.5-46.6170-74.5171-155.6-69.7-1111.7A20 D21 R26 N27 G28 Q29 L32A20-R24 VanDerWaalsContact O-CG 3.31Å; A20-R24 WeakPolarHBondContact O-CG 3.43Å; A20-R24 PolarHBondContact O-N 3.28Å; D21-R24 CarbonylContact O-C 3.55Å; D21-R24 WeakPolarHBondContact O-CA 3.49Å; D21-R24 WeakPolarHBondContact O-CB 3.29Å; D21-R24 PolarHBondContact O-N 3.03Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.02Å; R24-N27 CarbonylContact O-C 3.51Å; R24-N27 WeakPolarHBondContact O-CA 3.33Å; R24-N27 PolarHBondContact O-N 3.27Å; R24-G28 PolarHBondContact O-N 2.84Å; R24-Q29 HydrophobicContact CB-CB 3.95Å; R24-Q29 HydrophobicContact CG-CB 4.19Å; R24-Q29 PolarHBondContact O-N 2.88Å; R24-L32 VanDerWaalsContact CZ-CD1 3.44Å; R24-L32 VanDerWaalsContact NH2-CD1 3.35Å
25R81.3Confident82.7Confident98 Ų9885.7 Ų85.737%0.3744%0.435SS..Hα-helixtrans-50.3-52.6171.7-80.5-176.5153.3-157.1-10.6110.4D21 N27 G28 D56D21-R25 PolarHBondContact O-N 3.36Å; R25-N27 PolarHBondContact O-N 2.81Å; R25-G28 PolarHBondContact O-N 3.14Å; R25-D56 IonicContact CZ-OD2 3.94Å; R25-D56 IonicContact NH1-OD2 3.94Å; R25-D56 PolarHBondContact NH1-OD2 3.29Å; R25-D56 IonicContact NH2-OD1 3.96Å; R25-D56 IonicContact NH2-OD2 2.72Å; R25-D56 PolarHBondContact NH2-OD2 3.03Å
26R79.6Confident82.4Confident157 Ų15786.7 Ų86.759%0.59244%0.439SS*.Hα-helixtrans-60.9-25.4175.8-71.8172.3-176143.75.9114.7A22 R24 D52A22-R26 VanDerWaalsContact O-CG 3.32Å; A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 3.43Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.02Å; R26-D52 IonicContact NH2-OD2 3.47Å; R26-D52 PolarHBondContact NH2-OD2 2.92Å; R26-D52 VanDerWaalsContact NH2-OD2 3.11Å
27N80.9Confident82Confident119 Ų11980.5 Ų80.564%0.63642%0.418SS*.THydrogen-bonded Turntrans-96.88.1177-73-39.9000113.5N23 R24 R25 Q29N23-N27 WeakPolarHBondContact O-CB 3.34Å; N23-N27 VanDerWaalsContact O-CG 3.25Å; N23-N27 PolarHBondContact O-N 2.83Å; N23-N27 PolarHBondContact O-ND2 2.98Å; R24-N27 CarbonylContact O-C 3.51Å; R24-N27 WeakPolarHBondContact O-CA 3.33Å; R24-N27 PolarHBondContact O-N 3.27Å; R25-N27 PolarHBondContact O-N 2.81Å; N27-Q29 HydrophobicContact CB-CG 4.37Å; N27-Q29 PolarHBondContact O-N 3.3Å
28G79.8Confident81.6Confident75 Ų7584.5 Ų84.577%0.77344%0.443SS*.THydrogen-bonded Turntrans65.517.3-177.500000114.8R24 R25R24-G28 PolarHBondContact O-N 2.84Å; R25-G28 PolarHBondContact O-N 3.14Å
29Q79.8Confident81.6Confident106 Ų10690.3 Ų90.350%0.49547%0.469SS..PPolyproline II helixtrans-88143.9178.6-67.2-172.6-7.300111R24 N27R24-Q29 HydrophobicContact CB-CB 3.95Å; R24-Q29 HydrophobicContact CG-CB 4.19Å; R24-Q29 PolarHBondContact O-N 2.88Å; N27-Q29 HydrophobicContact CB-CG 4.37Å; N27-Q29 PolarHBondContact O-N 3.3Å
30R75.2Confident81.7Confident235 Ų23586.8 Ų86.889%0.88745%0.45SS*.PPolyproline II helixtrans-57.8144.7172.9-67.9-171.4177.5-150.7-1.1110.6
31R77.3Confident81.6Confident124 Ų12491.8 Ų91.847%0.46846%0.461SS..PPolyproline II helixtrans-57.6139.9174.7-50.9-170.391.31724.2109.6D21D21-R31 VanDerWaalsContact OD1-CA 3.23Å; D21-R31 WeakPolarHBondContact OD1-CA 3.42Å; D21-R31 WeakPolarHBondContact OD1-CB 3.47Å; D21-R31 WeakPolarHBondContact OD1-CG 3.43Å; D21-R31 IonicContact OD1-NE 3.8Å; D21-R31 IonicContact OD2-CZ 3.51Å; D21-R31 IonicContact OD2-NE 2.75Å; D21-R31 PolarHBondContact OD2-NE 2.8Å; D21-R31 IonicContact OD2-NH2 3.87Å; D21-R31 PolarHBondContact OD2-NH2 2.9Å
32L76.6Confident81.5Confident89 Ų8997.4 Ų97.447%0.46649%0.485SS..PPolyproline II helixtrans-86.3132.1168-70.9-173.9000108.6W17 R24 Y34W17-L32 WeakPolarHBondContact CZ2-O 3.45Å; W17-L32 PolarHBondContact NE1-O 3.24Å; R24-L32 VanDerWaalsContact CZ-CD1 3.44Å; R24-L32 VanDerWaalsContact NH2-CD1 3.35Å; L32-Y34 PolarHBondContact O-N 3.33Å
33A76.1Confident81.6Confident107 Ų10797 Ų9788%0.88448%0.48SS*.PPolyproline II helixtrans-60.9129.8171.200000110.3
34Y84Confident81.6Confident45 Ų4594.7 Ų94.718%0.17647%0.468CS..  trans-114.2128.4164.9176.3-104.5000106.7Y14 W17 L32 L36 A37 L40Y14-Y34 AromaticContact CD2-CD1 3.9Å; Y14-Y34 HydrophobicContact CD2-CD1 3.9Å; Y14-Y34 AromaticContact CD2-CE1 3.68Å; Y14-Y34 HydrophobicContact CD2-CE1 3.68Å; Y14-Y34 HydrophobicContact CE2-CD1 4.43Å; W17-Y34 HydrophobicContact CB-CD2 4.25Å; W17-Y34 HydrophobicContact CB-CG 4.36Å; W17-Y34 HydrophobicContact CD2-CG 4.1Å; W17-Y34 HydrophobicContact CE3-CD1 4.46Å; W17-Y34 HydrophobicContact CG-CD2 4.24Å; W17-Y34 AromaticContact CG-CG 4Å; W17-Y34 HydrophobicContact CG-CG 4Å; L32-Y34 PolarHBondContact O-N 3.33Å; Y34-L36 HydrophobicContact CD1-CB 4.28Å; Y34-L36 HydrophobicContact CE1-CB 3.77Å; Y34-L36 HydrophobicContact CE1-CG 4.37Å; Y34-L36 PolarHBondContact O-N 3.14Å; Y34-L36 VanDerWaalsContact O-N 3.15Å; Y34-A37 HydrophobicContact CD1-CB 4.44Å; Y34-A37 WeakPolarHBondContact O-CB 3.29Å; Y34-A37 PolarHBondContact O-N 3.35Å; Y34-L40 HydrophobicContact CE1-CD1 4.2Å
35P83.9Confident81.2Confident118 Ų118101.9 Ų101.977%0.76650%0.495SS*.THydrogen-bonded Turntrans-58.6-34.2-168.2-28.836.1000114.5
36L84.4Confident80.6Confident56 Ų56103.8 Ų103.829%0.29351%0.508SS..THydrogen-bonded Turntrans-101.129.7-178.7-38.4172.8000111L10 Y34 E39 L40L10-L36 HydrophobicContact CD1-CD1 3.64Å; L10-L36 HydrophobicContact CD2-CD1 4.26Å; L10-L36 HydrophobicContact CG-CD1 4.13Å; Y34-L36 HydrophobicContact CD1-CB 4.28Å; Y34-L36 HydrophobicContact CE1-CB 3.77Å; Y34-L36 HydrophobicContact CE1-CG 4.37Å; Y34-L36 PolarHBondContact O-N 3.14Å; Y34-L36 VanDerWaalsContact O-N 3.15Å; L36-E39 WeakPolarHBondContact CA-OE2 3.49Å; L36-E39 WeakPolarHBondContact CB-OE2 3.36Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.47Å; L36-L40 HydrophobicContact CB-CD1 4.08Å; L36-L40 HydrophobicContact CB-CG 4.2Å; L36-L40 WeakPolarHBondContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 3.36Å
37A82.3Confident80.1Confident12 Ų1297.9 Ų97.910%0.09949%0.488CS..THydrogen-bonded Turntrans-63-60.9-172.400000111.4Y14 W17 Y34 L40 R41Y14-A37 PolarHBondContact OH-O 3.41Å; W17-A37 HydrophobicContact CH2-CB 3.82Å; W17-A37 HydrophobicContact CZ2-CB 4.32Å; W17-A37 HydrophobicContact CZ3-CB 4.16Å; Y34-A37 HydrophobicContact CD1-CB 4.44Å; Y34-A37 WeakPolarHBondContact O-CB 3.29Å; Y34-A37 PolarHBondContact O-N 3.35Å; A37-L40 PolarHBondContact O-N 3.22Å; A37-R41 WeakPolarHBondContact O-CG 3.41Å; A37-R41 PolarHBondContact O-N 3.08Å
38D82.8Confident79.1Confident124 Ų12499 Ų9966%0.66349%0.494SS*.G310 helixtrans-68.5-36.9-176-61.3-64.9000112.2L40 R41D38-L40 PolarHBondContact O-N 3.06Å; D38-R41 PolarHBondContact O-N 2.71Å; D38-R41 WeakPolarHBondContact OD1-CD 3.31Å; D38-R41 IonicContact OD1-NH1 3.41Å
39E87.1Confident78.2Confident131 Ų13197.5 Ų97.561%0.61247%0.467SS*.G310 helixtrans-60.9-25.6175.7-58.8174.2151.300113.3L36 F42L36-E39 WeakPolarHBondContact CA-OE2 3.49Å; L36-E39 WeakPolarHBondContact CB-OE2 3.36Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.47Å; E39-F42 WeakPolarHBondContact O-CD1 3.47Å; E39-F42 WeakPolarHBondContact O-CE1 3.37Å
40L87.4Confident76.6Confident9 Ų994.7 Ų94.75%0.04746%0.462CS..G310 helixtrans-108.21.6179.9-63.4-175.4000114W7 L10 Y14 Y34 L36 A37 D38 F42 L43W7-L40 HydrophobicContact CH2-CD2 3.89Å; W7-L40 HydrophobicContact CZ3-CD2 4.15Å; L10-L40 HydrophobicContact CD2-CD1 3.92Å; L10-L40 HydrophobicContact CD2-CD2 4.04Å; L10-L40 HydrophobicContact CG-CD1 4.14Å; Y14-L40 HydrophobicContact CD1-CB 4.04Å; Y14-L40 HydrophobicContact CD2-CB 3.71Å; Y14-L40 HydrophobicContact CD2-CD1 3.95Å; Y14-L40 HydrophobicContact CD2-CG 4.46Å; Y14-L40 HydrophobicContact CE1-CB 4.02Å; Y14-L40 WeakPolarHBondContact CE1-O 3.36Å; Y14-L40 HydrophobicContact CE2-CB 3.68Å; Y14-L40 HydrophobicContact CG-CB 3.88Å; Y14-L40 HydrophobicContact CG-CD1 3.89Å; Y14-L40 PolarHBondContact OH-O 3.47Å; Y34-L40 HydrophobicContact CE1-CD1 4.2Å; L36-L40 HydrophobicContact CB-CD1 4.08Å; L36-L40 HydrophobicContact CB-CG 4.2Å; L36-L40 WeakPolarHBondContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 3.36Å; A37-L40 PolarHBondContact O-N 3.22Å; D38-L40 PolarHBondContact O-N 3.06Å; L40-F42 HydrophobicContact CD2-CE1 4.15Å; L40-F42 PolarHBondContact O-N 3.08Å; L40-F42 VanDerWaalsContact O-N 3.1Å; L40-L43 HydrophobicContact CB-CD1 4.18Å; L40-L43 HydrophobicContact CD2-CD1 4.02Å; L40-L43 HydrophobicContact CG-CD1 4.5Å; L40-L43 VanDerWaalsContact O-CB 3.24Å; L40-L43 WeakPolarHBondContact O-CB 3.26Å; L40-L43 PolarHBondContact O-N 3.21Å
41R83.6Confident75.1Confident143 Ų14390.8 Ų90.854%0.5446%0.459SS..G310 helixtrans-57.2-25.9177.7-78.6-178.471.4-176.3-3.4114.2Y14 A37 D38 L43 D44Y14-R41 VanDerWaalsContact OH-CA 3.29Å; Y14-R41 WeakPolarHBondContact OH-CA 3.49Å; Y14-R41 PolarHBondContact OH-N 3.31Å; A37-R41 WeakPolarHBondContact O-CG 3.41Å; A37-R41 PolarHBondContact O-N 3.08Å; D38-R41 PolarHBondContact O-N 2.71Å; D38-R41 WeakPolarHBondContact OD1-CD 3.31Å; D38-R41 IonicContact OD1-NH1 3.41Å; R41-L43 PolarHBondContact O-N 3.14Å; R41-L43 VanDerWaalsContact O-N 3.14Å; R41-D44 WeakPolarHBondContact O-CB 3.11Å; R41-D44 PolarHBondContact O-N 3.34Å
42F83.6Confident73.5Confident120 Ų12090.2 Ų90.253%0.52647%0.466SS..G310 helixtrans-60.8-21.417378.4-91.1000113W7 E39 L40 H46W7-F42 AromaticContact CH2-CZ 3.91Å; W7-F42 HydrophobicContact CH2-CZ 3.91Å; W7-F42 HydrophobicContact CZ2-CZ 4.15Å; E39-F42 WeakPolarHBondContact O-CD1 3.47Å; E39-F42 WeakPolarHBondContact O-CE1 3.37Å; L40-F42 HydrophobicContact CD2-CE1 4.15Å; L40-F42 PolarHBondContact O-N 3.08Å; L40-F42 VanDerWaalsContact O-N 3.1Å; F42-H46 PolarHBondContact O-CD2 3.05Å
43L84.4Confident72Confident14 Ų1490.1 Ų90.17%0.07346%0.464CS..G310 helixtrans-77.6-18.9174.9-62.1173.8000113.3W7 R11 Y14 L40 R41 R45 H46 L47W7-L43 HydrophobicContact CH2-CD1 4.37Å; W7-L43 HydrophobicContact CZ2-CD1 4.32Å; W7-L43 HydrophobicContact CZ2-CD2 4.31Å; R11-L43 HydrophobicContact CG-CD1 4.23Å; Y14-L43 HydrophobicContact CD1-CB 4.28Å; Y14-L43 HydrophobicContact CD1-CD1 4.29Å; Y14-L43 HydrophobicContact CE1-CB 4.16Å; L40-L43 HydrophobicContact CB-CD1 4.18Å; L40-L43 HydrophobicContact CD2-CD1 4.02Å; L40-L43 HydrophobicContact CG-CD1 4.5Å; L40-L43 VanDerWaalsContact O-CB 3.24Å; L40-L43 WeakPolarHBondContact O-CB 3.26Å; L40-L43 PolarHBondContact O-N 3.21Å; R41-L43 PolarHBondContact O-N 3.14Å; R41-L43 VanDerWaalsContact O-N 3.14Å; L43-R45 VanDerWaalsContact C-N 3.31Å; L43-R45 PolarHBondContact O-N 3.3Å; L43-H46 CarbonylContact O-C 3.34Å; L43-H46 WeakPolarHBondContact O-CA 3.33Å; L43-H46 PolarHBondContact O-N 3.29Å; L43-L47 HydrophobicContact CB-CD1 3.86Å; L43-L47 HydrophobicContact CB-CG 4.29Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 VanDerWaalsContact O-CG 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.01Å
44D82.1Confident70.3Confident34 Ų3490 Ų9018%0.18246%0.462CS..Hα-helixtrans-57.7-45.3-177.7-73.1-34000111.1Y14 R41 H46 L47 I49Y14-D44 PolarHBondContact OH-OD1 3.45Å; Y14-D44 PolarHBondContact OH-OD2 2.75Å; R41-D44 WeakPolarHBondContact O-CB 3.11Å; R41-D44 PolarHBondContact O-N 3.34Å; D44-H46 PolarHBondContact O-N 3.32Å; D44-L47 PolarHBondContact O-N 3.32Å; D44-I49 WeakPolarHBondContact OD1-CD1 3.35Å
45R74.3Confident68.4Low224 Ų22491.6 Ų91.685%0.84549%0.485SS*.Hα-helixtrans-61.7-20.2174.9-169.8174.6-178.5-178.70.8113.8L43L43-R45 VanDerWaalsContact C-N 3.31Å; L43-R45 PolarHBondContact O-N 3.3Å
46H67.1Low66.5Low137 Ų13789.7 Ų89.763%0.63447%0.469SS*.Hα-helixtrans-105.5-11.1180-62.8-60.7000113.9F42 L43 D44F42-H46 PolarHBondContact O-CD2 3.05Å; L43-H46 CarbonylContact O-C 3.34Å; L43-H46 WeakPolarHBondContact O-CA 3.33Å; L43-H46 PolarHBondContact O-N 3.29Å; D44-H46 PolarHBondContact O-N 3.32Å
47L69.9Low64.3Low34 Ų3494.8 Ų94.818%0.17850%0.496CS..Hα-helixtrans-96.3-2.7179-71.7171.6000112.8R11 Y14 T15 L43 D44 I49R11-L47 HydrophobicContact CG-CD2 4.15Å; Y14-L47 HydrophobicContact CD1-CD1 3.83Å; Y14-L47 HydrophobicContact CE1-CD1 4.2Å; T15-L47 HydrophobicContact CG2-CD2 4.35Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.48Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.49Å; L43-L47 HydrophobicContact CB-CD1 3.86Å; L43-L47 HydrophobicContact CB-CG 4.29Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 VanDerWaalsContact O-CG 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.01Å; D44-L47 PolarHBondContact O-N 3.32Å; L47-I49 HydrophobicContact CB-CD1 3.52Å; L47-I49 HydrophobicContact CB-CG1 3.7Å; L47-I49 HydrophobicContact CD1-CD1 3.78Å; L47-I49 HydrophobicContact CG-CD1 4.3Å; L47-I49 PolarHBondContact O-N 3.27Å
48N59.5Low62.3Low143 Ų143101.1 Ų101.177%0.76553%0.528SS*.THydrogen-bonded Turntrans50.839.8-176.4-62-55.1000112A50N48-A50 PolarHBondContact O-N 3.03Å
49I60.8Low60.2Low42 Ų42105.8 Ų105.822%0.21554%0.537CS..  trans-78.874.1175.7-58.6156.9000107.1C18 D44 L47C18-I49 HydrophobicContact CB-CD1 3.53Å; C18-I49 HydrophobicContact CB-CG1 4.41Å; C18-I49 HydrophobicContact CB-CG2 4.31Å; D44-I49 WeakPolarHBondContact OD1-CD1 3.35Å; L47-I49 HydrophobicContact CB-CD1 3.52Å; L47-I49 HydrophobicContact CB-CG1 3.7Å; L47-I49 HydrophobicContact CD1-CD1 3.78Å; L47-I49 HydrophobicContact CG-CD1 4.3Å; L47-I49 PolarHBondContact O-N 3.27Å
50A46.2Very low57.7Low47 Ų47105.1 Ų105.139%0.38855%0.546SS..  trans21.7124.7175.100000117.5N48 D52N48-A50 PolarHBondContact O-N 3.03Å; A50-D52 PolarHBondContact O-N 3.15Å
51D44.8Very low55.2Low154 Ų154111.3 Ų111.382%0.82458%0.584SS**SBendtrans-66.529.5176.6-46.3-87.4000115M53D51-M53 PolarHBondContact O-N 2.98Å
52D42.1Very low52.6Low112 Ų112109.9 Ų109.960%0.59960%0.596SS**THydrogen-bonded Turntrans-60.310.1157.3-72.6-24.1000112R26 A50 A54R26-D52 IonicContact NH2-OD2 3.47Å; R26-D52 PolarHBondContact NH2-OD2 2.92Å; R26-D52 VanDerWaalsContact NH2-OD2 3.11Å; A50-D52 PolarHBondContact O-N 3.15Å; D52-A54 VanDerWaalsContact C-N 3.34Å
53M45.8Very low50.3Low86 Ų86109.9 Ų109.942%0.42461%0.611SS.*THydrogen-bonded Turntrans-84-1.8174.5-73.7-66.3-176.300113.7D51 A55D51-M53 PolarHBondContact O-N 2.98Å; M53-A55 PolarHBondContact O-N 3.34Å
54A40.6Very low47.8Very low104 Ų104116 Ų11686%0.8664%0.643SS**THydrogen-bonded Turntrans-70.538.217100000113.4D52D52-A54 VanDerWaalsContact C-N 3.34Å
55A44.6Very low45.9Very low79 Ų79122.5 Ų122.565%0.65367%0.67SS**THydrogen-bonded Turntrans-157.722.1-173.300000113.6M53M53-A55 PolarHBondContact O-N 3.34Å
56D42.2Very low44.3Very low79 Ų79119.3 Ų119.342%0.42267%0.67SS.*  trans-12936.6172.8-95.3-55.6000110.3R25 D58R25-D56 IonicContact CZ-OD2 3.94Å; R25-D56 IonicContact NH1-OD2 3.94Å; R25-D56 PolarHBondContact NH1-OD2 3.29Å; R25-D56 IonicContact NH2-OD1 3.96Å; R25-D56 IonicContact NH2-OD2 2.72Å; R25-D56 PolarHBondContact NH2-OD2 3.03Å; D56-D58 PolarHBondContact O-N 2.93Å
57D39Very low43.1Very low163 Ų163123.4 Ų123.487%0.87268%0.68SS**  trans-87.734.7170.3-164.928.4000111.8
58D41.4Very low41.3Very low144 Ų144129.4 Ų129.477%0.7771%0.712SS**  trans-139.451.4-166.8-111.5-38.3000110.2D56D56-D58 PolarHBondContact O-N 2.93Å
59R37.1Very low40.1Very low223 Ų223130.8 Ų130.884%0.84272%0.72SS**  trans-155.164.8174.6-103.7124.2-154.6-81.7-6.4115.6
60S35.4Very low38.8Very low116 Ų116136.8 Ų136.881%0.81175%0.752SS**SBendtrans-136.5143.9150.3-84.70000110.2
61V34.8Very low38.1Very low140 Ų140144.8 Ų144.885%0.84877%0.772SS**  trans63.583172-163.30000117.9
62S29.7Very low37.4Very low113 Ų113143.1 Ų143.179%0.7976%0.763SS**  trans-176.2132.8131.630.50000108
63S35.2Very low37Very low119 Ų119143.5 Ų143.583%0.83278%0.775SS**  cis69.344.436.1-160.80000114.4
64D31.7Very low36.2Very low142 Ų142149.3 Ų149.376%0.75980%0.801SS**  trans-99.867.2163.3-153.4-12.7000109.9
65K41.6Very low35.6Very low172 Ų172147.5 Ų147.575%0.74879%0.793SS**  trans-91.2160.2149.4-97.7-173174.4-177.40107.1
66D41.3Very low34.9Very low156 Ų156150.4 Ų150.483%0.83480%0.802SS**SBendtrans70.751.5168.2-48.9-31000116.1
67R40.7Very low34.2Very low223 Ų223153.2 Ų153.284%0.84282%0.817SS**  trans-144.440.9161.5-129.8170.3-162156.77.7118.5
68D32.6Very low33.8Very low161 Ų161154.5 Ų154.586%0.86182%0.817SS**  trans-139.281.6162.8-110.4-32.2000111
69N33.8Very low33.3Very low172 Ų172156.6 Ų156.692%0.9282%0.822SS**  trans-169.976.2162.2-111.1-20.1000112.2
70N33.4Very low32.8Very low167 Ų167150.4 Ų150.489%0.89382%0.818SS**  trans-155.4109.5147.2-155.3-11.9000110.5
71R32.7Very low32.5Very low215 Ų215154.1 Ų154.181%0.81182%0.823SS**  trans-152.8114.6172.9-168.4166.6-173.1166.85.4112.9
72D29.1Very low32.1Very low120 Ų120152.3 Ų152.364%0.64282%0.823SS**  trans5972.2150.1-48.9-19.3000118.5
73S33.7Very low32.1Very low120 Ų120152.1 Ų152.184%0.83982%0.822SS**  24.5115.6128.5-51.80000122.2
74E30.5Very low31.8Very low207 Ų207154 Ų15497%0.96782%0.822SS**  -148.7156.8128.5-68.8-161.1157.400107
75G27.6Very low31.6Very low67 Ų67156.1 Ų156.169%0.69182%0.824SS**  cis159.6155.8-300000110.8
76V28.8Very low30.8Very low140 Ų140154.6 Ų154.685%0.84882%0.82SS**  trans78.8122171.4-173.20000118.1
77D28.9Very low30Very low138 Ų138157.2 Ų157.274%0.73882%0.818SS**  trans-79.1169171.8-47.2-99.7000113.6
78H30.8Very low29.3Very low190 Ų190150.5 Ų150.588%0.8881%0.81SS**  -172.4169.2113.6-92.9-38.7000113.8
79H29.4Very low29Very low188 Ų188147.8 Ų147.887%0.8780%0.803SS**  trans-120.7137-160.9-174.726.5000110.3
80A26.9Very low28.7Very low92 Ų92144.3 Ų144.376%0.7679%0.793SS**  trans176.1151.8145.100000113.3
81Q28.7Very low28.3Very low194 Ų194142.9 Ų142.991%0.90779%0.79SS**  trans-94.7149.7153.9-69.2-176.8-18.700109.7
82A28.2Very low28.2Very low103 Ų103137 Ų13785%0.85178%0.782SS**  trans-172.2154.113500000110.4
83S28.8Very low28.4Very low109 Ų109140.1 Ų140.176%0.76279%0.79SS**  trans-114.6141.3164.159.30000109.6
84L27.7Very low28.2Very low159 Ų159142.4 Ų142.483%0.83279%0.792SS**  trans177.1132.8140.6-98.1161.6000112.8
85K27.8Very low28Very low186 Ų186138.8 Ų138.881%0.80978%0.783SS**  trans33.9149.1140.2-105.2175.4175.7177.70124
86E25.6Very low28.2Very low140 Ų140142.8 Ų142.865%0.65478%0.782SS**  trans80.9103.2154.8-78.3-158.296.200121.5
87R24.7Very low28.1Very low211 Ų211142.5 Ų142.580%0.79677%0.771SS**  87.8137.6104.1-168.9170.4-175.9167.91.3120.7
88A25.5Very low28.4Very low82 Ų82141.7 Ų141.768%0.67877%0.771SS**  trans55.6106.7158.200000118.1
89S26.3Very low28.5Very low103 Ų103141.6 Ų141.672%0.7277%0.768SS**  859562.876.10000116.5
90S26.6Very low28.6Very low100 Ų100140.1 Ų140.170%0.69977%0.766SS**  trans63.4150.6130.961.90000124
91T27Very low29Very low137 Ų137139.9 Ų139.984%0.8476%0.764SS**  trans74.9160.8167.584.80000115.9
92S29.6Very low29Very low91 Ų91135.7 Ų135.764%0.63676%0.756SS**  cis-146.3176.12.653.40000108.5
93K33.7Very low29.4Very low186 Ų186139.2 Ų139.281%0.80976%0.755SS**  cis-147.6152.517.5-53.9162-171.6167.50107
94L29.5Very low29.7Very low168 Ų168138.8 Ų138.888%0.8875%0.747SS**  cis84.484.118.3-150.8167.5000115.6
95V25.3Very low30Very low130 Ų130141.4 Ų141.479%0.78875%0.746SS**  trans-172.9146173.1139.50000104.6
96K31.6Very low30.2Very low151 Ų151139.7 Ų139.766%0.65774%0.739SS**  cis-162.8158.4-18.5-92.9177.2164.9-78.20104.6
97E28.1Very low30.4Very low134 Ų134138.7 Ų138.763%0.62673%0.734SS**  cis-159.8138.6-12.6-111.5162.1175.800107.4
98V34.1Very low30.8Very low121 Ų121136.4 Ų136.473%0.73373%0.73SS**  60.511595.2-178.60000112.5
99K32.7Very low30.9Very low189 Ų189136.9 Ų136.982%0.82273%0.728SS**  cis-141.1-17139.9-120.4151.6-171.8174.50110.8
100L31.9Very low30.8Very low156 Ų156136.2 Ų136.282%0.81772%0.723SS**  cis-140.2-10210.9-143.8-170.4000115.6
101A35Very low30.9Very low87 Ų87139.1 Ų139.172%0.71973%0.726SS**  trans-161.1170.5-162.600000110.5
102S29Very low31Very low106 Ų106137.3 Ų137.374%0.74171%0.711SS**  cis-143.7137.720.748.60000111.4
103Q37.4Very low31Very low178 Ų178140.2 Ų140.283%0.83271%0.712SS**  66.513980.1-91.6-153.7-8.600115.7
104V35.7Very low30.7Very low100 Ų100140.7 Ų140.761%0.60671%0.709SS**  cis-172.3174.9-1.967.90000113.5
105R33.7Very low30.7Very low214 Ų214139.8 Ų139.881%0.80870%0.7SS**  trans87.5142.6153.8-80.5169.3-171.5-175.42.9119.4
106K32.3Very low30.8Very low149 Ų149139.6 Ų139.665%0.64870%0.695SS**  cis-167.6144.4-14-135.1-170.8179.9-144.30113.2
107E29.1Very low30.5Very low120 Ų120142.9 Ų142.956%0.56170%0.703SS**  trans54.7152132.9-82.9-17717200124.2
108K33.3Very low30.4Very low162 Ų162144.8 Ų144.870%0.70471%0.712SS**  cis-171.1159.2-15.9-136.3177.4-159.5155.40113.3
109S26.3Very low30.2Very low92 Ų92146.4 Ų146.464%0.64372%0.717SS**  trans21.5159.213865.70000123.7
110S26.1Very low30.6Very low89 Ų89143.2 Ų143.262%0.62272%0.716SS**  cis172.2173.7-20.359.40000109.2
111Q28.3Very low30.2Very low162 Ų162139.1 Ų139.176%0.75771%0.711SS**  trans69.8155.1165.8-77.7179.6-96.900116.5
112D27.9Very low30Very low99 Ų99140.9 Ų140.953%0.52971%0.708SS.*  cis-152.2163.2-5.3-135.3-15.3000113.7
113K30.1Very low30Very low152 Ų152143.3 Ų143.366%0.66171%0.705SS**  trans48.2120.9147.3-76.8166.2-170.5126.70124.6
114R28.1Very low29.7Very low196 Ų196143.1 Ų143.174%0.7470%0.704SS**  75136.3118.4-73.6173.2170.1-109.11.5122.4
115E29.4Very low29.3Very low148 Ų148148.6 Ų148.669%0.69271%0.714SS**  trans67149.7143.1-71.9151-129.300118.6
116N26.2Very low28.9Very low126 Ų126143.5 Ų143.567%0.67471%0.711SS**  cis-165.3119.2-23176.585.9000110.4
117W25.8Very low28.7Very low220 Ų220146.8 Ų146.883%0.83372%0.72SS**  trans67.8170.5164.1-77.956.3000119.8
118E26.3Very low28.7Very low175 Ų175150.2 Ų150.282%0.81873%0.733SS**  trans74.5100.6161.7-77.8165.4-159.900121.1
119N29.3Very low28.6Very low154 Ų154151.3 Ų151.382%0.82474%0.737SS**  trans-55.7163.3135.5-104-17.1000110.4
120P41Very low28.7Very low123 Ų123152.2 Ų152.280%0.79974%0.744SS**  cis-140.5-16424.342.6-23.9000114.5
121G25Very low29Very low69 Ų69152.1 Ų152.171%0.71175%0.749SS**  trans125.789.1135.800000119.4
122D29Very low29.2Very low125 Ų125153.6 Ų153.667%0.66876%0.755SS**  51.4112.6128.6-96.310.1000123.5
123K29.7Very low29.4Very low157 Ų157156.3 Ų156.368%0.68377%0.765SS**  78.3138.9118.1-74.1-178.6-176.781.30122.1
124Q30.6Very low29.5Very low173 Ų173156.6 Ų156.681%0.80877%0.766SS**  trans71.3155.2151.5-72.2-168.119.600119.9
125R26.9Very low29.8Very low215 Ų215152.9 Ų152.981%0.81176%0.76SS**  cis-168.7151.1-38.3-150177-174.1-174.32.4109.2
126S27.2Very low29.8Very low107 Ų107152.7 Ų152.775%0.74876%0.764SS**  trans72.2160.4160.1900000116.4
127R26.8Very low29.9Very low219 Ų219152.1 Ų152.183%0.82676%0.761SS**  cis-160162.14.1-150.5169.4174.1177.7-2.1111.1
128K29.8Very low30.2Very low192 Ų192147.5 Ų147.584%0.83575%0.752SS**  trans80.6146.2166.7-57.3168.1-177.3173.70115.5
129K30.8Very low30.4Very low184 Ų184148 Ų14880%0.875%0.754SS**  cis-171.8148.7-16177.6-178.8179.6-171.60109.4
130S29.2Very low30.4Very low112 Ų112148.4 Ų148.478%0.78375%0.751SS**  trans64.2146.8169.233.20000117.5
131A31Very low29.9Very low87 Ų87148.1 Ų148.172%0.71975%0.752SS**  cis-158.6178.2-10.700000110.6
132E34.2Very low30Very low192 Ų192152.8 Ų152.890%0.89776%0.761SS**  trans73.8106.2-172-55.9-177.2128.700112.8
133E31Very low30.3Very low157 Ų157155.4 Ų155.473%0.73477%0.769SS**  cis77.9113.134.4-161.3157.7-148.900112.9
134K32.8Very low30.8Very low158 Ų158153.1 Ų153.169%0.68777%0.77SS**  cis-155.7163.83.2-136.3170.2-163147.30113.4
135L33.9Very low30.7Very low118 Ų118152 Ų15262%0.61877%0.765SS**  trans-12.4163.1151.8-54.9164.6000118.4
136D28.8Very low30.8Very low143 Ų143150 Ų15077%0.76576%0.762SS**  cis-148.516812.9-5.1-106.3000109.8
137D28.6Very low31.2Very low115 Ų115151.4 Ų151.462%0.61577%0.766SS**  cis-168.3157-26.2-109.327.3000107.7
138L32.8Very low32Very low123 Ų123145.5 Ų145.564%0.64476%0.756SS**  43.1149.8104-73.9169.5000117.6E140L138-E140 HydrophobicContact CD2-CB 4.42Å
139E30.7Very low32.1Very low186 Ų186144.4 Ų144.487%0.86975%0.754SS**  cis-132.1158.20.4-58.6178.1118.100108.8
140E29.1Very low32.2Very low162 Ų162142.3 Ų142.376%0.75775%0.751SS**  cis122.635.4-0.3-154.4132-75.600118.7L138L138-E140 HydrophobicContact CD2-CB 4.42Å
141S31.2Very low32.2Very low117 Ų117143.9 Ų143.982%0.81875%0.75SS**  trans105.9146.8162.1-43.70000118.4
142D26.9Very low32.3Very low167 Ų167143.3 Ų143.389%0.89374%0.741SS**  trans-170.4138.1143.9-107-14.1000112.8
143E33.8Very low32.2Very low179 Ų179143.3 Ų143.384%0.83674%0.738SS**  trans-120162.3160.7-114.3-171.8151.200106.1
144P40.8Very low32.2Very low110 Ų110142.8 Ų142.871%0.71474%0.74SS**  cis-156.1-163.447.940.8-16.6000117.1
145E28.6Very low32.3Very low149 Ų149143.4 Ų143.470%0.69675%0.745SS**  trans94.7139.8144.8-122.1-160.5119.500122.3
146K29.2Very low32.3Very low173 Ų173142.4 Ų142.475%0.75275%0.748SS**  trans73.794.1163-71.3-171.2170.7860121.9
147V35.5Very low32.7Very low136 Ų136142.2 Ų142.282%0.82475%0.747SS**  trans-61.5169.4132.1-114.50000110.5
148P43.5Very low32.8Very low95 Ų95144.1 Ų144.162%0.61776%0.757SS**  cis-145.4-174.731.241-18.7000118.6
149E33Very low33.5Very low169 Ų169146 Ų14679%0.7976%0.762SS**  trans72.5146141.7-88.5163.6-141.200120.3
150L31.5Very low33.7Very low140 Ų140144.7 Ų144.773%0.73376%0.762SS**  cis-136.6152.7-0.3-91.9170.3000108
151D28.8Very low34Very low146 Ų146144.6 Ų144.678%0.78177%0.767SS**  66.3147.970.9-14062.5000113.9
152S34.3Very low34.1Very low74 Ų74147.6 Ų147.652%0.51777%0.767SS.*  cis-174.6162.3-27.7177.40000110.2
153F30.7Very low34.4Very low192 Ų192145.2 Ų145.284%0.84276%0.763SS**  trans59.7176.8161.4-88.3-146.8000116
154L31Very low34.4Very low147 Ų147145.1 Ų145.177%0.7777%0.765SS**  cis-140.41697.4-134.8-167.6000110.8
155Q35.5Very low34.1Very low171 Ų171147.2 Ų147.280%0.79977%0.77SS**  trans-86.3177.4157.5-55.3166.2-87.100107.9
156S33.7Very low34.9Very low97 Ų97150.1 Ų150.168%0.67878%0.783SS**  cis-163.3174.818.547.80000110
157D38.4Very low35.5Very low139 Ų139150 Ų15074%0.74379%0.785SS**  trans11.6138.1152.1-47.8-27000121.4
158N30.1Very low35.7Very low155 Ų155151.2 Ų151.283%0.82978%0.782SS**  -141138.4121.4-150.476.4000109.2
159E47.9Very low35.4Very low161 Ų161155.2 Ų155.275%0.75280%0.797SS**  trans-92.6-171.4173.2-60.1-167.9154.100110.6
160D34.8Very low35.7Very low160 Ų160154.6 Ų154.686%0.85680%0.799SS**  trans76.2118.2-168.6-51.6-31.6000113.4
161D34.1Very low36.1Very low160 Ų160155.3 Ų155.386%0.85680%0.803SS**  -151-179.868-152.3-17000113.6
162E34Very low36.7Very low179 Ų179156.3 Ų156.384%0.83681%0.808SS**  trans-86.1172.6-162.8-60.3-166.5139.900117
163C33Very low37.2Very low118 Ų118162.5 Ų162.580%0.79783%0.829SS**  trans-61.7138.3-173.1-55.40000114.9
164M34.5Very low37.6Very low177 Ų177156.2 Ų156.287%0.87282%0.819SS**  trans-130.5125.5157.8-75.2-68.1154.500111.4
165D33.2Very low37.6Very low154 Ų154159.3 Ų159.382%0.82483%0.826SS**  trans-27.8137.4-173.2-59.1-41.5000120.5E167D165-E167 PolarHBondContact O-N 3.48Å
166E46.4Very low37.4Very low209 Ų209158.2 Ų158.298%0.97783%0.826SS**  trans-96.275.4179.4-171.3176.1-161.600111.3
167E42.7Very low37.2Very low170 Ų170161.8 Ų161.879%0.79483%0.829SS**  trans-143.7159.6172.1-147.3164.9-128.300110.9D165D165-E167 PolarHBondContact O-N 3.48Å
168H38.6Very low37Very low163 Ų163162.2 Ų162.276%0.75583%0.832SS**  trans76.667.8-176.1-57.3-67.3000119.5
169L37.3Very low37.2Very low178 Ų178162 Ų16293%0.93283%0.83SS**  trans-139.930.4155.3-89.7-172.4000114.9
170D39.8Very low36.6Very low156 Ų156161.9 Ų161.983%0.83483%0.829SS**  trans-87.8-16176.7-71.7-53.9000114.5L172D170-L172 PolarHBondContact O-N 3.49Å
171D39.5Very low36.6Very low155 Ų155161.9 Ų161.983%0.82982%0.824SS**THydrogen-bonded Turntrans-98.351-170.5-76.2-54.2000115
172L40.7Very low36.4Very low168 Ų168159.5 Ų159.588%0.8882%0.82SS**THydrogen-bonded Turntrans-151.331.9164-145.870.8000116.3D170 G174D170-L172 PolarHBondContact O-N 3.49Å; L172-G174 PolarHBondContact O-N 2.86Å
173E45.5Very low36.2Very low203 Ų203159 Ų15995%0.94982%0.823SS**  trans-81.989.3164.8-173.8162.4-12000110.2
174G39.4Very low36Very low61 Ų61162.6 Ų162.663%0.62983%0.828SS**  trans-17745.9-17200000117.8L172L172-G174 PolarHBondContact O-N 2.86Å
175F29.8Very low35.9Very low211 Ų211163.1 Ų163.193%0.92583%0.828SS**  trans-143.8112.4159.3-109.6-76.7000112
176D32.8Very low35.7Very low148 Ų148166 Ų16679%0.79183%0.834SS**  trans-98.2136.5171.3-178.421.1000108.8
177F28.6Very low34.8Very low172 Ų172163.9 Ų163.975%0.75482%0.824SS**  trans-162.4111.6167.9-143.2-98.3000113.5L179F177-L179 HydrophobicContact CD1-CB 4.5Å; F177-L179 HydrophobicContact CE1-CB 4.46Å
178D33.5Very low34.1Very low148 Ų148163 Ų16379%0.79182%0.824SS**  trans-64.2126.8156.7-95.4-38.5000110.1
179L34.5Very low33.5Very low152 Ų152161.4 Ų161.480%0.79683%0.825SS**  trans-157.7128.4136.8-143.665.3000113F177F177-L179 HydrophobicContact CD1-CB 4.5Å; F177-L179 HydrophobicContact CE1-CB 4.46Å
180E35.6Very low33.7Very low157 Ų157158.3 Ų158.373%0.73482%0.816SS**  trans-117.2143.2166.5-156-165.2-121.600108.3
181Q36.3Very low33.1Very low161 Ų161158.9 Ų158.975%0.75281%0.814SS**  trans69.4133.3174-41.6-179.727.200113.7
182S28.4Very low32.6Very low110 Ų110159.7 Ų159.777%0.76981%0.81SS**  cis-143.916246.557.40000114.6
183N29.6Very low31.9Very low167 Ų167156.7 Ų156.789%0.89380%0.803SS**  trans-110.6131.8154.9-78.1-87.4000107.4
184Q30.1Very low31.2Very low195 Ų195155.6 Ų155.691%0.91180%0.803SS**  trans-153.3134159.8-123.2173.631.100110.5
185E31.1Very low30.7Very low187 Ų187160.3 Ų160.387%0.87481%0.808SS**  trans-80.2138.9178.8-56.4155.412400109.6
186K29.4Very low30.9Very low216 Ų216160.2 Ų160.294%0.93981%0.807SS**  trans-162.7152.5133.6-113.4159.5-171.7174.40116.7
187E27.6Very low30.8Very low164 Ų164159.3 Ų159.377%0.76680%0.803SS**  trans-71.7165.3-173.9-118.5177.5116.100116
188L29Very low30.9Very low151 Ų151159 Ų15979%0.79181%0.809SS**  trans82.9150.6151.1-67.5162.4000120.9
189T25.5Very low30.9Very low129 Ų129158.1 Ų158.179%0.79181%0.809SS**  trans-124.6-173.6-168.954.10000109.7
190P41.6Very low30.8Very low114 Ų114158.7 Ų158.774%0.7481%0.813SS**  -118.4-178.2-61.938.4-25.3000110.6
191E26.8Very low30.5Very low168 Ų168156.5 Ų156.579%0.78582%0.815SS**  trans-173.6-177.4149.5-109.5-60.714100111.9
192K28.3Very low30.5Very low171 Ų171155.5 Ų155.574%0.74382%0.82SS**  trans-91.1140-158.2-76.9167.3179.5151.60118.7
193S26.6Very low30.8Very low105 Ų105157.2 Ų157.273%0.73483%0.826SS**  trans21.1130.3140.8660000121.8
194L29.8Very low31Very low181 Ų181153.6 Ų153.695%0.94881%0.813SS**  -143.6159.9122.9-151.471.9000111.4
195E30.3Very low31.5Very low160 Ų160152.1 Ų152.175%0.74881%0.806SS**  trans-103.9131.7-165.3171.9-172.9-157.300112.4
196K33.4Very low32Very low208 Ų208145.9 Ų145.990%0.90478%0.782SS**  trans-161.2139.9144.4-123.4166.2-172.6170.80114
197N30.7Very low33.1Very low130 Ų130141.6 Ų141.670%0.69577%0.765SS**  trans-79.8145.7-173.9-55.1-66.7000112.8
198N30.6Very low34.7Very low166 Ų166139.4 Ų139.489%0.88875%0.754SS**  -159154.6121.5-96.2-31.8000110.5
199T34.8Very low36.2Very low129 Ų129137.3 Ų137.379%0.79174%0.738SS**  trans-94.1128.3-169.549.90000112.6
200D30.5Very low37.8Very low164 Ų164135.1 Ų135.188%0.87773%0.725SS**  trans-149.3135.9140-132.4-25.5000109.8
201S30.4Very low38.6Very low111 Ų111136.6 Ų136.678%0.77672%0.719SS**  trans-100.5101.4-163.2-69.50000112.8
202T35.6Very low40Very low140 Ų140136 Ų13686%0.85972%0.717SS**PPolyproline II helixtrans-73.9130.4165.449.70000110.8
203V34.8Very low41.2Very low146 Ų146130.3 Ų130.389%0.88570%0.696SS**PPolyproline II helixtrans-68.9133.3-176.5175.70000111.1
204S34.5Very low42.4Very low90 Ų90137.9 Ų137.963%0.62971%0.709SS**PPolyproline II helixtrans-69.1126.8-171.3170.10000113.6
205Q39.5Very low43.7Very low165 Ų165131.7 Ų131.777%0.77168%0.677SS**PPolyproline II helixtrans-73.2145161.1-74.6-79.4-13.200110.2E207Q205-E207 PolarHBondContact O-N 3.1Å
206P42.8Very low45Very low56 Ų56129.3 Ų129.336%0.36468%0.675SS.*  trans-75.4104.9179.530-34000111.8
207E51.5Low46Very low126 Ų126129.2 Ų129.259%0.58967%0.669SS**  trans-78.2127.8178.3-178.5-176.1-123.400112Q205 K224Q205-E207 PolarHBondContact O-N 3.1Å; E207-K224 WeakPolarHBondContact O-CE 3.34Å; E207-K224 WeakPolarHBondContact O-CG 3.34Å; E207-K224 WeakPolarHBondContact OE2-CE 3.3Å; E207-K224 IonicContact OE2-NZ 2.63Å; E207-K224 PolarHBondContact OE2-NZ 3.41Å
208F60.8Low47Very low118 Ų118128 Ų12852%0.51866%0.662SS.*EExtended strand (participates in β ladder)trans-92.5151.8173.5-65.6-102.6000110.8I221 G222 R223F208-I221 HydrophobicContact CB-CG2 4.27Å; F208-I221 HydrophobicContact CD1-CG2 4.09Å; F208-G222 WeakPolarHBondContact CA-O 3.46Å; F208-R223 HydrophobicContact CD1-CB 3.9Å; F208-R223 HydrophobicContact CD1-CG 4.48Å; F208-R223 HydrophobicContact CE1-CB 3.69Å; F208-R223 HydrophobicContact CE1-CG 4.07Å; F208-R223 HydrophobicContact CZ-CB 4.42Å; F208-R223 HydrophobicContact CZ-CG 4.3Å
209F62.2Low48.3Very low106 Ų106125.2 Ų125.247%0.46565%0.646SS.*EExtended strand (participates in β ladder)trans-123.1142.7168.666-90000111.6K211 I221 G222F209-K211 HydrophobicContact CD2-CB 4.3Å; F209-K211 HydrophobicContact CE2-CB 4.28Å; F209-I221 WeakPolarHBondContact O-CA 3.41Å; F209-G222 PolarHBondContact N-O 3.34Å; F209-G222 VanDerWaalsContact N-O 3.08Å; F209-G222 PolarHBondContact O-N 2.93Å
210V59.2Low49.4Very low84 Ų84124.3 Ų124.351%0.50964%0.636SS.*EExtended strand (participates in β ladder)trans-101.4113.5172-173.70000108Q212 L219 I221V210-Q212 PolarHBondContact O-N 3.21Å; V210-L219 HydrophobicContact CG1-CB 4.06Å; V210-L219 HydrophobicContact CG1-CD2 4.02Å; V210-L219 HydrophobicContact CG1-CG 4.43Å; V210-I221 HydrophobicContact CG2-CD1 4.46Å; V210-I221 HydrophobicContact CG2-CG1 4.19Å
211K58.2Low50.8Low144 Ų144121.9 Ų121.963%0.62662%0.621SS**EExtended strand (participates in β ladder)trans-91.593.6176.8-160.2172.8-173.9179.20109F209 T213 I220F209-K211 HydrophobicContact CD2-CB 4.3Å; F209-K211 HydrophobicContact CE2-CB 4.28Å; K211-T213 PolarHBondContact O-N 3.28Å; K211-I220 PolarHBondContact N-O 2.88Å
212Q54.5Low52Low156 Ų156117.4 Ų117.473%0.72959%0.593SS**EExtended strand (participates in β ladder)trans-63.5122.3175.8-169.1174.917.900109.6V210 L219V210-Q212 PolarHBondContact O-N 3.21Å; Q212-L219 HydrophobicContact CG-CD2 4.33Å
213T53.5Low52.8Low52 Ų52118.3 Ų118.332%0.31958%0.58SS.*  trans-91.6177.8173.971.70000110.3K211 D215 L218 I220K211-T213 PolarHBondContact O-N 3.28Å; T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 PolarHBondContact O-N 3.37Å; T213-D215 PolarHBondContact OG1-O 3.35Å; T213-L218 PolarHBondContact OG1-O 3.01Å; T213-L218 VanDerWaalsContact OG1-O 3.09Å; T213-I220 HydrophobicContact CG2-CD1 4.49Å
214R52.9Low53.5Low263 Ų263116 Ų11699%0.99256%0.559SS**SBendtrans-74.5-10.4177.5-88.3-177.6171.8154.5-3114.3
215D57.4Low53.6Low51 Ų51117.3 Ų117.327%0.27356%0.559SS.*SBendtrans-96.2122.5167.4-169.4-43.3000109.1T213 R217 L218T213-D215 VanDerWaalsContact C-N 3.27Å; T213-D215 PolarHBondContact O-N 3.37Å; T213-D215 PolarHBondContact OG1-O 3.35Å; D215-R217 PolarHBondContact O-N 3.22Å; D215-R217 VanDerWaalsContact OD1-CB 3.25Å; D215-R217 WeakPolarHBondContact OD1-CB 3.46Å; D215-R217 WeakPolarHBondContact OD1-CG 3.48Å; D215-R217 IonicContact OD1-CZ 3.85Å; D215-R217 PolarHBondContact OD1-N 3.37Å; D215-R217 IonicContact OD1-NE 3.33Å; D215-R217 PolarHBondContact OD1-NE 3.21Å; D215-R217 IonicContact OD1-NH2 2.88Å; D215-R217 IonicContact OD2-CZ 3.19Å; D215-R217 IonicContact OD2-NE 2.73Å; D215-R217 PolarHBondContact OD2-NE 3.01Å; D215-R217 IonicContact OD2-NH2 2.68Å; D215-R217 PolarHBondContact OD2-NH2 2.66Å; D215-L218 PolarHBondContact O-N 2.86Å
216P57Low53.2Low111 Ų111114.2 Ų114.272%0.72156%0.555SS**THydrogen-bonded Turntrans-64.5-9.6-179.727.7-35.8000114.3
217R55.5Low52.7Low206 Ų206117.8 Ų117.878%0.77758%0.576SS**THydrogen-bonded Turntrans-90.1-7.1178.3-59.7169.9-67.6-179.63.6113.8D215D215-R217 PolarHBondContact O-N 3.22Å; D215-R217 VanDerWaalsContact OD1-CB 3.25Å; D215-R217 WeakPolarHBondContact OD1-CB 3.46Å; D215-R217 WeakPolarHBondContact OD1-CG 3.48Å; D215-R217 IonicContact OD1-CZ 3.85Å; D215-R217 PolarHBondContact OD1-N 3.37Å; D215-R217 IonicContact OD1-NE 3.33Å; D215-R217 PolarHBondContact OD1-NE 3.21Å; D215-R217 IonicContact OD1-NH2 2.88Å; D215-R217 IonicContact OD2-CZ 3.19Å; D215-R217 IonicContact OD2-NE 2.73Å; D215-R217 PolarHBondContact OD2-NE 3.01Å; D215-R217 IonicContact OD2-NH2 2.68Å; D215-R217 PolarHBondContact OD2-NH2 2.66Å
218L51.1Low51.6Low105 Ų105117.3 Ų117.355%0.5559%0.587SS.*  trans-119.497.6-176-66.3177.9000112.2T213 D215T213-L218 PolarHBondContact OG1-O 3.01Å; T213-L218 VanDerWaalsContact OG1-O 3.09Å; D215-L218 PolarHBondContact O-N 2.86Å
219L56.7Low50Low106 Ų106117 Ų11756%0.55560%0.599SS**EExtended strand (participates in β ladder)trans-105.6109.2172.3-62.1-178.7000110.2V210 Q212V210-L219 HydrophobicContact CG1-CB 4.06Å; V210-L219 HydrophobicContact CG1-CD2 4.02Å; V210-L219 HydrophobicContact CG1-CG 4.43Å; Q212-L219 HydrophobicContact CG-CD2 4.33Å
220I57.9Low48.4Very low110 Ų110121.5 Ų121.556%0.56462%0.619SS**EExtended strand (participates in β ladder)trans-91.8120.2175.5-58.6175.8000108.6K211 T213K211-I220 PolarHBondContact N-O 2.88Å; T213-I220 HydrophobicContact CG2-CD1 4.49Å
221I60.8Low46.9Very low113 Ų113121.2 Ų121.258%0.57963%0.625SS**EExtended strand (participates in β ladder)trans-105.6112.5179.7-49.2-173.4000109.5F208 F209 V210F208-I221 HydrophobicContact CB-CG2 4.27Å; F208-I221 HydrophobicContact CD1-CG2 4.09Å; F209-I221 WeakPolarHBondContact O-CA 3.41Å; V210-I221 HydrophobicContact CG2-CD1 4.46Å; V210-I221 HydrophobicContact CG2-CG1 4.19Å
222G54.9Low45.6Very low17 Ų17123.2 Ų123.218%0.17564%0.637CS.*EExtended strand (participates in β ladder)trans-101.4136.2-179.800000112.8F208 F209F208-G222 WeakPolarHBondContact CA-O 3.46Å; F209-G222 PolarHBondContact N-O 3.34Å; F209-G222 VanDerWaalsContact N-O 3.08Å; F209-G222 PolarHBondContact O-N 2.93Å
223R52.1Low44.5Very low159 Ų159120.8 Ų120.860%0.664%0.637SS**EExtended strand (participates in β ladder)trans-100.6122166.5-178.8178.1168.3170.60.7109.3F208F208-R223 HydrophobicContact CD1-CB 3.9Å; F208-R223 HydrophobicContact CD1-CG 4.48Å; F208-R223 HydrophobicContact CE1-CB 3.69Å; F208-R223 HydrophobicContact CE1-CG 4.07Å; F208-R223 HydrophobicContact CZ-CB 4.42Å; F208-R223 HydrophobicContact CZ-CG 4.3Å
224K51Low43.5Very low98 Ų98127.8 Ų127.843%0.42666%0.663SS.*PPolyproline II helixtrans-89.5134170.151.3-178.5176.5-179.20110.1E207E207-K224 WeakPolarHBondContact O-CE 3.34Å; E207-K224 WeakPolarHBondContact O-CG 3.34Å; E207-K224 WeakPolarHBondContact OE2-CE 3.3Å; E207-K224 IonicContact OE2-NZ 2.63Å; E207-K224 PolarHBondContact OE2-NZ 3.41Å
225N35.3Very low42.5Very low118 Ų118119.9 Ų119.963%0.63165%0.654SS**PPolyproline II helixtrans-99.2130.4167.8-74.2-13.1000108.4T227N225-T227 PolarHBondContact O-N 3.14Å; N225-T227 VanDerWaalsContact O-N 3.14Å
226S32.7Very low41.3Very low99 Ų99122.4 Ų122.469%0.69268%0.676SS**  trans-83.987.1-174.4-59.30000111.8
227T32Very low40.1Very low131 Ų131126.5 Ų126.580%0.80468%0.682SS**  trans-115.586.2169.152.60000111.3N225N225-T227 PolarHBondContact O-N 3.14Å; N225-T227 VanDerWaalsContact O-N 3.14Å
228S27.4Very low38.9Very low116 Ų116121 Ų12181%0.81168%0.675SS**  trans-72.2143.1148.154.90000108.5
229S28.7Very low37.9Very low112 Ų112123.5 Ų123.578%0.78369%0.687SS**  cis-153.2173.917.655.60000113.5
230F27.3Very low36.6Very low201 Ų201124.1 Ų124.188%0.88270%0.701SS**  trans119.1139.7142.5-150.9-105.3000118.2
231A28.5Very low35.3Very low78 Ų78122.8 Ų122.865%0.64571%0.714SS**  trans57.776.1165.600000120.5
232E30.1Very low33.8Very low186 Ų186124.3 Ų124.387%0.86972%0.724SS**  trans-31.3135.4136.4169.2-177.7-163.400115.8
233S32.3Very low33.4Very low105 Ų105129 Ų12973%0.73475%0.751SS**  -178.9127.4123.241.10000117.2
234K32.3Very low32.6Very low199 Ų199128.5 Ų128.587%0.86576%0.76SS**  trans54.4126.5142.4-62.1179.5179.6175.90123.3
235A31.2Very low31.7Very low96 Ų96132.3 Ų132.379%0.79378%0.779SS**  trans71156.6139.300000119.4
236S32Very low31.7Very low105 Ų105132.5 Ų132.573%0.73478%0.784SS**  cis-169.9148.1-27.655.10000112
237K32.5Very low31.8Very low197 Ų197131.8 Ų131.886%0.85779%0.785SS**  trans53.6109.2152.3-90.7-171.3174.7-1750121.1
238S29.7Very low31.9Very low90 Ų90133 Ų13363%0.62978%0.783SS**  60.1117.5123.466.30000123.9
239I30.9Very low32.3Very low157 Ų157135.3 Ų135.381%0.80578%0.781SS**  78.6134.6124.4-64.2170.1000120.4
240S29.6Very low32.4Very low119 Ų119136.4 Ų136.483%0.83278%0.778SS**  trans77.6141.1156.666.80000121.2
241G29.8Very low32.9Very low83 Ų83132 Ų13286%0.85677%0.772SS**  trans131.7101.7151.600000117.2
242D29.2Very low33.3Very low144 Ų144131.6 Ų131.677%0.7778%0.776SS**  trans-124.8133.2155.3173.256.9000106.3
243P46Very low33.3Very low116 Ų116130.4 Ų130.475%0.75378%0.776SS**  -151.9137.79336.8-16000118.3
244L35.5Very low33.6Very low149 Ų149132.2 Ų132.278%0.7877%0.772SS**  39.6114.4119-156.5163.9000122
245E32Very low33.8Very low177 Ų177132.1 Ų132.183%0.82777%0.768SS**  trans167.8142.1145.5-100.2-167.2165.800107.8
246T35.6Very low33.9Very low122 Ų122131 Ų13175%0.74877%0.766SS**  cis-154.7166.335.142.30000108.7
247A34.5Very low33.8Very low85 Ų85137 Ų13770%0.70277%0.772SS**  cis95.9137.624.600000116.5
248M35.1Very low33.9Very low157 Ų157135.3 Ų135.377%0.77377%0.773SS**  trans80.1116.1170.5-64.4169.9154.500118
249E35.5Very low34Very low164 Ų164134.3 Ų134.377%0.76678%0.777SS**  102.2160.390.9-78.6168.8-166.100110.9
250D31.7Very low34Very low135 Ų135134.4 Ų134.472%0.72277%0.774SS**  cis-153.1165.510.8-176.936.3000112.4
251S37.4Very low34.2Very low107 Ų107136.7 Ų136.775%0.74877%0.768SS**  trans56.3156.6157.8-740000119.5
252G35.9Very low34.2Very low71 Ų71143.3 Ų143.373%0.73277%0.768SS**  cis141.8150.112.800000107.1
253D30Very low34.3Very low161 Ų161141.8 Ų141.886%0.86176%0.763SS**  cis-152.2-17613.853.9-2.4000114.4
254E39.3Very low33.6Very low142 Ų142142.9 Ų142.966%0.66477%0.768SS**  trans-75.4176-169.2-49.9164.8115.200114.5
255Y36.7Very low33.4Very low198 Ų198139.3 Ų139.378%0.77677%0.767SS**  cis-140.2163.64.7-92.4-81.1000107.3
256G32.2Very low33.2Very low72 Ų72136.3 Ų136.374%0.74277%0.766SS**  cis110.6146.437.500000109.7
257R31.1Very low33Very low230 Ų230136.6 Ų136.687%0.86876%0.763SS**  cis-162.3141.8-1.6156.5-169.5-79.9-165-0109.1
258D33.1Very low32.8Very low163 Ų163137.9 Ų137.987%0.87276%0.762SS**  trans-174.5140.4141.1-90.7-25.6000106.1
259G31.8Very low32.7Very low69 Ų69136.3 Ų136.371%0.71176%0.762SS**  cis126.899.913.500000108
260E32.7Very low32.3Very low158 Ų158134 Ų13474%0.73876%0.763SS**  cis-145.3154.324.4-55.7-167.282.100115.6
261K32.7Very low33.2Very low167 Ų167133 Ų13373%0.72677%0.765SS**  trans23.9139.6131.9-57172.7-157.9131.40119.6
262R29.3Very low32.8Very low222 Ų222134.2 Ų134.284%0.83877%0.767SS**  cis-164.9137.88.1-120.5-175.5-178.5-164.50.9112.6
263V31.2Very low32.8Very low112 Ų112141.3 Ų141.368%0.67977%0.772SS**  trans70.4131.4138.7172.60000120.8
264T33.2Very low33.1Very low140 Ų140144.7 Ų144.786%0.85977%0.773SS**  trans57.4127.9169.4480000118.6
265G29.7Very low33.1Very low73 Ų73143.7 Ų143.775%0.75378%0.779SS**  cis159.1134.1-7.600000112.4
266S29.4Very low33.1Very low115 Ų115146.3 Ų146.380%0.80479%0.787SS**  trans63.285.8179.9-159.50000116.6
267D29.4Very low33.2Very low127 Ų127154.9 Ų154.968%0.67980%0.797SS**  16.1118.7121.7-71.9-74.4000118.8
268T32.2Very low33Very low112 Ų112148.7 Ų148.769%0.68780%0.795SS**  83.2142.465.472.50000112.8
269T31.5Very low32.8Very low125 Ų125145.7 Ų145.777%0.76779%0.793SS**  cis-149.8150.54.6-14.50000114
270S28.5Very low32.9Very low115 Ų115154.1 Ų154.180%0.80480%0.803SS**  trans-168.2158.1154.9-84.70000108.7
271P49Very low32.8Very low115 Ų115151.1 Ų151.175%0.74781%0.805SS**  cis-111.3-155.4-3.238.2-22.5000111.8
272T29.8Very low32.7Very low131 Ų131148.8 Ų148.880%0.80481%0.81SS**  178177.686.9-52.20000111.1
273R35.6Very low33.2Very low220 Ų220146.4 Ų146.483%0.8381%0.812SS**  trans-106.6150.6-164.1-64.4170.7162.9-177.6-4.9117.1
274R36.6Very low33.2Very low232 Ų232146.1 Ų146.188%0.87582%0.815SS**  trans68.5169151.9-77.1177.8176.3-178-1116.8
275P39.4Very low33.2Very low122 Ų122150 Ų15079%0.79282%0.821SS**  cis-125.1-169.71.241.7-26.1000115.3
276R36.5Very low33.6Very low252 Ų252151.3 Ų151.395%0.95182%0.824SS**  trans-132.5123.1172.5-81.6-179.6167.8143.2-4.1112.5
277R34.1Very low33.9Very low252 Ų252149.9 Ų149.995%0.95183%0.828SS**  trans-171.6151.9142.1-131.8-174.5-177.7-152.20.4114.2
278A27.7Very low34.4Very low101 Ų101152.1 Ų152.184%0.83584%0.838SS**  trans67.2154.9173.300000115.4
279A29.2Very low34.9Very low99 Ų99156.9 Ų156.982%0.81884%0.843SS**  cis-129.4-171.35.600000113.2
280R34.2Very low35.1Very low247 Ų247156.9 Ų156.993%0.93284%0.839SS**  trans-107.1163.3173.3-78.8178.9165.3-174.3-4.5110.6
281A28.9Very low35.9Very low94 Ų94158.9 Ų158.978%0.77784%0.839SS**  trans95.9167.2153.800000118.8
282S31.5Very low35.4Very low118 Ų118159.2 Ų159.283%0.82584%0.842SS**  trans55.782.317551.70000118.4
283I40.5Very low35.9Very low172 Ų172160.3 Ų160.388%0.88284%0.841SS**  trans-95.2107.8142.6-50.3170.3000106.6
284S30.3Very low36.2Very low107 Ų107158.6 Ų158.675%0.74884%0.842SS**  trans173.296.3162.5-810000111.2
285F33Very low36.6Very low222 Ų222156.7 Ų156.797%0.97484%0.84SS**  trans-17480.3146-115.3-70.1000112.5
286A37.8Very low36.8Very low100 Ų100157 Ų15783%0.82684%0.842SS**  trans-163.5109.3158.600000107.2I288A286-I288 PolarHBondContact O-N 3.34Å
287G36.4Very low37Very low85 Ų85148.1 Ų148.188%0.87683%0.829SS**  trans-91.6106.1-166.400000114
288I40.7Very low37.5Very low173 Ų173145.6 Ų145.689%0.88783%0.828SS**  trans-110.8138.7158-60.8178.1000107.6A286A286-I288 PolarHBondContact O-N 3.34Å
289R41.5Very low38.3Very low212 Ų212145.3 Ų145.380%0.883%0.826SS**  trans-101.9149.4-170.9-92.9-172.1177.3-120.39.8113.7
290D36.7Very low39.5Very low126 Ų126149.2 Ų149.267%0.67483%0.827SS**  trans59.376.3144.3-53.5-25.5000118.5
291L44.5Very low40.3Very low157 Ų157148 Ų14882%0.82282%0.823SS**  trans-118.1129.3141.4-76179.3000110.1I293L291-I293 PolarHBondContact O-N 3.22Å
292P38.1Very low41.9Very low122 Ų122147.8 Ų147.879%0.79281%0.807SS**  trans-84.577.5-170.234.1-36.6000112.8Q294P292-Q294 PolarHBondContact O-N 3.18Å
293I41.6Very low43.9Very low154 Ų154146 Ų14679%0.7979%0.791SS**  trans-65.5106.4171.3-57.7177.8000109.3L291 K295L291-I293 PolarHBondContact O-N 3.22Å; I293-K295 PolarHBondContact O-N 3.11Å
294Q41.9Very low45.1Very low183 Ų183147.7 Ų147.786%0.85579%0.786SS**PPolyproline II helixtrans-64.2122.6173.1-67.8-167.227.300110P292 P296P292-Q294 PolarHBondContact O-N 3.18Å; Q294-P296 WeakPolarHBondContact O-CD 3.42Å
295K44.8Very low46.7Very low193 Ų193148.1 Ų148.184%0.83978%0.779SS**PPolyproline II helixtrans-70.6123.9173.4-64.6175.8-177.5174.60108.7I293 G297I293-K295 PolarHBondContact O-N 3.11Å; K295-G297 PolarHBondContact O-N 3.45Å
296P43.5Very low48.6Very low127 Ų127141.9 Ų141.983%0.82575%0.753SS**PPolyproline II helixtrans-59.1125.5170.124.4-32.4000108.8Q294Q294-P296 WeakPolarHBondContact O-CD 3.42Å
297G39.5Very low50.2Low67 Ų67143.4 Ų143.469%0.69174%0.738SS**PPolyproline II helixtrans-60.6147.4-172.100000112.7K295 A299K295-G297 PolarHBondContact O-N 3.45Å; G297-A299 PolarHBondContact O-N 3.09Å
298Q45.3Very low51.7Low199 Ų199147.9 Ų147.993%0.9373%0.728SS**  trans-61.296.7177.9-77.5-171.8-21.500111.5Q300Q298-Q300 PolarHBondContact O-N 3.27Å
299A45.1Very low52.8Low95 Ų95146.5 Ų146.579%0.78572%0.716SS**  trans-64.898.9168.800000109.4G297 R301G297-A299 PolarHBondContact O-N 3.09Å; A299-R301 PolarHBondContact O-N 3.33Å
300Q54.2Low53.9Low181 Ų181139.4 Ų139.485%0.84670%0.699SS**  trans-59.7103.6-175-167.5-179.325.700110.7Q298 M302Q298-Q300 PolarHBondContact O-N 3.27Å; Q300-M302 PolarHBondContact O-N 3.35Å
301R50.3Low54.9Low222 Ų222139.9 Ų139.984%0.83870%0.698SS**  trans-68.487.8-167.4-166.9-178.9-171.7-137.57.2112.1A299 T303A299-R301 PolarHBondContact O-N 3.33Å; R301-T303 PolarHBondContact O-N 3.07Å
302M63.9Low55.5Low88 Ų88136.1 Ų136.143%0.43369%0.685SS.*  trans-43.5122.2-179.1-75.9-74.1-91.800112.8Q300 Q306 R307Q300-M302 PolarHBondContact O-N 3.35Å; M302-Q306 HydrophobicContact CE-CB 3.9Å; M302-Q306 HydrophobicContact CE-CG 4.13Å; M302-Q306 HydrophobicContact SD-CB 4.2Å; M302-Q306 VanDerWaalsContact SD-CD 3.56Å; M302-Q306 HydrophobicContact SD-CG 4.28Å; M302-R307 HydrophobicContact CB-CG 4.35Å; M302-R307 PolarHBondContact O-NE 2.88Å
303T73.4Confident56.1Low80 Ų80135.5 Ų135.549%0.49168%0.675SS.*  trans-65.7156.3-172.663.80000112.4R301 L305 Q306 R307R301-T303 PolarHBondContact O-N 3.07Å; T303-L305 PolarHBondContact O-N 3.26Å; T303-L305 VanDerWaalsContact O-N 3.09Å; T303-Q306 WeakPolarHBondContact O-CB 3.35Å; T303-Q306 PolarHBondContact O-N 3.45Å; T303-Q306 PolarHBondContact OG1-N 3.42Å; T303-Q306 PolarHBondContact OG1-OE1 3Å; T303-R307 PolarHBondContact O-N 2.68Å
304R65.7Low56.5Low209 Ų209131.1 Ų131.179%0.78966%0.662SS**Hα-helixtrans-54.5-32.4-179-167.3-179-175.8-156.35.1113.1R308R304-R308 PolarHBondContact O-N 2.82Å
305L63.1Low56.9Low115 Ų115125.2 Ų125.260%0.60264%0.644SS**Hα-helixtrans-75.2-40176.5-175.161000112.6T303 R308 K309T303-L305 PolarHBondContact O-N 3.26Å; T303-L305 VanDerWaalsContact O-N 3.09Å; L305-R308 PolarHBondContact O-N 2.9Å; L305-K309 PolarHBondContact O-N 2.89Å; L305-K309 VanDerWaalsContact O-N 3.1Å
306Q72.4Confident57.2Low92 Ų92120.7 Ų120.743%0.4363%0.632SS.*Hα-helixtrans-62-45.7173.7-96.4164.4-43.600111.8M302 T303 R308 K309 S310M302-Q306 HydrophobicContact CE-CB 3.9Å; M302-Q306 HydrophobicContact CE-CG 4.13Å; M302-Q306 HydrophobicContact SD-CB 4.2Å; M302-Q306 VanDerWaalsContact SD-CD 3.56Å; M302-Q306 HydrophobicContact SD-CG 4.28Å; T303-Q306 WeakPolarHBondContact O-CB 3.35Å; T303-Q306 PolarHBondContact O-N 3.45Å; T303-Q306 PolarHBondContact OG1-N 3.42Å; T303-Q306 PolarHBondContact OG1-OE1 3Å; Q306-R308 VanDerWaalsContact C-N 3.32Å; Q306-R308 PolarHBondContact O-N 3.33Å; Q306-K309 PolarHBondContact O-N 3.3Å; Q306-K309 VanDerWaalsContact O-N 3.09Å; Q306-S310 PolarHBondContact O-N 2.95Å; Q306-S310 PolarHBondContact O-OG 3.22Å
307R72.2Confident57.4Low131 Ų131120.7 Ų120.749%0.49462%0.621SS.*Hα-helixtrans-58.3-42.3176.8-62.1-175.3-165.4-150.1-0.6112.1M302 T303 K309 S310 M311M302-R307 HydrophobicContact CB-CG 4.35Å; M302-R307 PolarHBondContact O-NE 2.88Å; T303-R307 PolarHBondContact O-N 2.68Å; R307-K309 PolarHBondContact O-N 3.07Å; R307-S310 PolarHBondContact O-N 3.39Å; R307-S310 PolarHBondContact O-OG 3.4Å; R307-S310 VanDerWaalsContact O-OG 3.08Å; R307-M311 WeakPolarHBondContact O-CB 3.39Å; R307-M311 VanDerWaalsContact O-CG 3.29Å; R307-M311 WeakPolarHBondContact O-CG 3.49Å; R307-M311 PolarHBondContact O-N 3.2Å; R307-M311 VanDerWaalsContact O-N 3.08Å
308R67Low57.6Low180 Ų180121.7 Ų121.768%0.67962%0.617SS**Hα-helixtrans-62.1-39.6174.3-85.3-175.2158-169-7.4112.8R304 L305 Q306 S312R304-R308 PolarHBondContact O-N 2.82Å; L305-R308 PolarHBondContact O-N 2.9Å; Q306-R308 VanDerWaalsContact C-N 3.32Å; Q306-R308 PolarHBondContact O-N 3.33Å; R308-S312 PolarHBondContact O-N 3.37Å
309K64.6Low57.7Low143 Ų143118.4 Ų118.462%0.62261%0.611SS**Hα-helixtrans-70.4-39.9177.8-73.9-173.9175.7-174.60112.9L305 Q306 R307 S312 L313L305-K309 PolarHBondContact O-N 2.89Å; L305-K309 VanDerWaalsContact O-N 3.1Å; Q306-K309 PolarHBondContact O-N 3.3Å; Q306-K309 VanDerWaalsContact O-N 3.09Å; R307-K309 PolarHBondContact O-N 3.07Å; K309-S312 PolarHBondContact O-N 3.39Å; K309-L313 PolarHBondContact O-N 2.94Å
310S65.1Low57.8Low64 Ų64124.4 Ų124.445%0.44861%0.613SS.*Hα-helixtrans-68.4-43177.657.80000112.5Q306 R307 S312 L313 A314Q306-S310 PolarHBondContact O-N 2.95Å; Q306-S310 PolarHBondContact O-OG 3.22Å; R307-S310 PolarHBondContact O-N 3.39Å; R307-S310 PolarHBondContact O-OG 3.4Å; R307-S310 VanDerWaalsContact O-OG 3.08Å; S310-S312 VanDerWaalsContact C-N 3.28Å; S310-S312 PolarHBondContact O-N 3.44Å; S310-L313 PolarHBondContact O-N 3.45Å; S310-L313 VanDerWaalsContact O-N 3.14Å; S310-A314 PolarHBondContact O-N 2.95Å
311M56.8Low57.1Low135 Ų135120.3 Ų120.367%0.66561%0.605SS**Hα-helixtrans-57.1-41.1173.3-72.1172.56800112.2R307 L313 A314 A315R307-M311 WeakPolarHBondContact O-CB 3.39Å; R307-M311 VanDerWaalsContact O-CG 3.29Å; R307-M311 WeakPolarHBondContact O-CG 3.49Å; R307-M311 PolarHBondContact O-N 3.2Å; R307-M311 VanDerWaalsContact O-N 3.08Å; M311-L313 VanDerWaalsContact C-N 3.26Å; M311-L313 PolarHBondContact O-N 3.03Å; M311-A314 PolarHBondContact O-N 2.73Å; M311-A315 PolarHBondContact O-N 3.13Å
312S57Low56.8Low78 Ų78115.2 Ų115.255%0.54560%0.603SS.*Hα-helixtrans-66.2-24.8179.4-168.60000113.8R308 K309 S310 V316R308-S312 PolarHBondContact O-N 3.37Å; K309-S312 PolarHBondContact O-N 3.39Å; S310-S312 VanDerWaalsContact C-N 3.28Å; S310-S312 PolarHBondContact O-N 3.44Å; S312-V316 WeakPolarHBondContact O-CG2 3.38Å
313L50.5Low55.8Low110 Ų110116.8 Ų116.858%0.57662%0.618SS**Hα-helixtrans-83.3-43173.9-74.8167.2000111.3K309 S310 M311 A315 V316 H317K309-L313 PolarHBondContact O-N 2.94Å; S310-L313 PolarHBondContact O-N 3.45Å; S310-L313 VanDerWaalsContact O-N 3.14Å; M311-L313 VanDerWaalsContact C-N 3.26Å; M311-L313 PolarHBondContact O-N 3.03Å; L313-A315 VanDerWaalsContact C-N 3.29Å; L313-A315 PolarHBondContact O-N 3.5Å; L313-V316 PolarHBondContact O-N 2.95Å; L313-V316 VanDerWaalsContact O-N 3.11Å; L313-H317 PolarHBondContact O-CD2 3.46Å; L313-H317 VanDerWaalsContact O-CD2 3.27Å; L313-H317 PolarHBondContact O-N 3.3Å; L313-H317 VanDerWaalsContact O-N 3.09Å
314A50.4Low53.9Low62 Ų62118 Ų11851%0.51263%0.629SS.*Hα-helixtrans-56.9-42.1176.700000112.2S310 M311 V316 H317 S318S310-A314 PolarHBondContact O-N 2.95Å; M311-A314 PolarHBondContact O-N 2.73Å; A314-V316 PolarHBondContact O-N 3.41Å; A314-H317 PolarHBondContact O-N 2.84Å; A314-S318 WeakPolarHBondContact O-CB 3.29Å; A314-S318 PolarHBondContact O-N 3.02Å
315A50.8Low52.8Low58 Ų58114 Ų11448%0.47963%0.631SS.*Hα-helixtrans-60.8-40.9175.600000113.1M311 L313 H317 S318 V319M311-A315 PolarHBondContact O-N 3.13Å; L313-A315 VanDerWaalsContact C-N 3.29Å; L313-A315 PolarHBondContact O-N 3.5Å; A315-H317 VanDerWaalsContact C-N 3.34Å; A315-H317 PolarHBondContact O-N 3.32Å; A315-S318 PolarHBondContact O-N 2.72Å; A315-V319 WeakPolarHBondContact O-CG2 3.29Å; A315-V319 PolarHBondContact O-N 3.28Å
316V51.1Low51.5Low99 Ų99114 Ų11460%0.664%0.635SS**Hα-helixtrans-70.6-30.2179.4172.30000112.1S312 L313 A314S312-V316 WeakPolarHBondContact O-CG2 3.38Å; L313-V316 PolarHBondContact O-N 2.95Å; L313-V316 VanDerWaalsContact O-N 3.11Å; A314-V316 PolarHBondContact O-N 3.41Å
317H46.5Very low50.1Low127 Ų127116.8 Ų116.859%0.58865%0.646SS**Hα-helixtrans-77.7-37.8173.2-75.5-72.3000113L313 A314 A315 V319 R320 S321L313-H317 PolarHBondContact O-CD2 3.46Å; L313-H317 VanDerWaalsContact O-CD2 3.27Å; L313-H317 PolarHBondContact O-N 3.3Å; L313-H317 VanDerWaalsContact O-N 3.09Å; A314-H317 PolarHBondContact O-N 2.84Å; A315-H317 VanDerWaalsContact C-N 3.34Å; A315-H317 PolarHBondContact O-N 3.32Å; H317-V319 VanDerWaalsContact C-N 3.34Å; H317-V319 PolarHBondContact O-N 3.35Å; H317-R320 PolarHBondContact O-N 2.8Å; H317-S321 PolarHBondContact O-OG 2.69Å
318S43.3Very low49Very low87 Ų87118.1 Ų118.161%0.60866%0.659SS**Hα-helixtrans-57.4-43.2178.2177.70000112.9A314 A315 R320 S321A314-S318 WeakPolarHBondContact O-CB 3.29Å; A314-S318 PolarHBondContact O-N 3.02Å; A315-S318 PolarHBondContact O-N 2.72Å; S318-R320 PolarHBondContact O-N 3.08Å; S318-S321 PolarHBondContact O-N 3.24Å
319V48.7Very low47.7Very low131 Ų131115.1 Ų115.179%0.79466%0.661SS**THydrogen-bonded Turntrans-63.6-10.4178177.10000113.1A315 H317A315-V319 WeakPolarHBondContact O-CG2 3.29Å; A315-V319 PolarHBondContact O-N 3.28Å; H317-V319 VanDerWaalsContact C-N 3.34Å; H317-V319 PolarHBondContact O-N 3.35Å
320R46.4Very low46.9Very low220 Ų220114.1 Ų114.183%0.8367%0.669SS**THydrogen-bonded Turntrans-110.83.9-177.2-134.4174.8-169.7167.43.4115.1H317 S318H317-R320 PolarHBondContact O-N 2.8Å; S318-R320 PolarHBondContact O-N 3.08Å
321S40Very low45.7Very low96 Ų96117.4 Ų117.467%0.67169%0.686SS**  trans-113.91.9-176-60.60000114.8H317 S318 T323H317-S321 PolarHBondContact O-OG 2.69Å; S318-S321 PolarHBondContact O-N 3.24Å; S321-T323 PolarHBondContact O-N 2.91Å
322S43.4Very low44.9Very low114 Ų114116.7 Ų116.780%0.79769%0.692SS**  trans-89.284174.2-167.60000111
323T43.7Very low43.8Very low122 Ų122124.1 Ų124.175%0.74871%0.708SS**  trans-140.591171.255.60000111.2S321S321-T323 PolarHBondContact O-N 2.91Å
324S33.1Very low43Very low104 Ų104124.3 Ų124.373%0.72772%0.718SS**  trans-72.9137.6160.9-177.70000109.5V326S324-V326 PolarHBondContact O-N 3.07Å
325P42.8Very low42.5Very low127 Ų127128.8 Ų128.883%0.82573%0.728SS**  trans-83.568.7-167.834.3-37.5000113.7
326V36.3Very low41.8Very low113 Ų113131.5 Ų131.569%0.68574%0.741SS**  trans-83.9117.9169.9-177.90000110.1S324 M328S324-V326 PolarHBondContact O-N 3.07Å; V326-M328 HydrophobicContact CG1-CG 4.38Å; V326-M328 HydrophobicContact CG1-SD 4.45Å; V326-M328 PolarHBondContact O-N 2.99Å
327K43.4Very low41Very low152 Ų152134.1 Ų134.166%0.66175%0.75SS**  trans-70.297.2171.9-79.5-176177.8177.10110.4T882K327-T882 PolarHBondContact NZ-OG1 3.18Å
328M48.6Very low40.4Very low159 Ų159135.2 Ų135.278%0.78376%0.76SS**  trans-95.7123.7160.6-67.5-57.6-67.400110V326V326-M328 HydrophobicContact CG1-CG 4.38Å; V326-M328 HydrophobicContact CG1-SD 4.45Å; V326-M328 PolarHBondContact O-N 2.99Å
329T40.2Very low40.2Very low117 Ų117140.9 Ų140.972%0.71877%0.774SS**  trans-68.2139.7170.231.10000110.4V331T329-V331 PolarHBondContact O-N 3.02Å
330P47.8Very low39.8Very low122 Ų122139.7 Ų139.779%0.79277%0.769SS**  trans-72.5112.8-178.528.3-33.6000111
331V39.7Very low39.5Very low133 Ų133135.3 Ų135.381%0.80677%0.769SS**PPolyproline II helixtrans-63.3131166.3178.10000108.5T329 R333T329-V331 PolarHBondContact O-N 3.02Å; V331-R333 PolarHBondContact O-N 3.28Å
332P40Very low39.3Very low120 Ų120136.7 Ų136.778%0.77978%0.779SS**PPolyproline II helixtrans-65.4121.2-174.924.9-34000111.6S334P332-S334 PolarHBondContact O-N 3.35Å
333R34.4Very low39.2Very low234 Ų234134.4 Ų134.488%0.88377%0.773SS**PPolyproline II helixtrans-69.6126.7173.6-175.4175.3-176.2158.31.2109.6V331 Q335V331-R333 PolarHBondContact O-N 3.28Å; R333-Q335 PolarHBondContact O-N 2.85Å
334S32.9Very low39Very low113 Ų113134.9 Ų134.979%0.7978%0.779SS**PPolyproline II helixtrans-60.8120.1178.839.20000111.9P332P332-S334 PolarHBondContact O-N 3.35Å
335Q39.2Very low39.1Very low156 Ų156136.6 Ų136.673%0.72978%0.784SS**PPolyproline II helixtrans-78149.5162-69.7-73.2000109.2R333 I337R333-Q335 PolarHBondContact O-N 2.85Å; Q335-I337 PolarHBondContact O-N 3.32Å
336P37.6Very low38.7Very low116 Ų116139.2 Ų139.275%0.75379%0.785SS**  trans-69.5102.917029.2-32.4000109.5N338P336-N338 PolarHBondContact O-N 3.49Å
337I33.5Very low38.7Very low154 Ų154141.7 Ų141.779%0.7979%0.793SS**PPolyproline II helixtrans-73.2127.5-177.8-74.3174.9000110.5Q335Q335-I337 PolarHBondContact O-N 3.32Å
338N33Very low38.2Very low149 Ų149140.2 Ų140.280%0.79780%0.797SS**PPolyproline II helixtrans-64.2154.5170.9-79.1-65000111.5P336 P340P336-N338 PolarHBondContact O-N 3.49Å; N338-P340 WeakPolarHBondContact O-CD 3.34Å
339K40.7Very low37.7Very low206 Ų206142.2 Ų142.290%0.89680%0.802SS**PPolyproline II helixtrans-49.9122.5178.1-57.5174-177.1177.20111.9
340P39.3Very low37.2Very low107 Ų107144.5 Ų144.570%0.69581%0.807SS**PPolyproline II helixtrans-78.2156.416032.9-32.6000110.7N338N338-P340 WeakPolarHBondContact O-CD 3.34Å
341P39.4Very low36.4Very low127 Ų127143.5 Ų143.583%0.82580%0.804SS**PPolyproline II helixtrans-78.8172.617833.5-36.1000113.2
342S37.4Very low36.2Very low126 Ų126145.9 Ų145.988%0.88181%0.805SS**PPolyproline II helixtrans-73.1137.2-178.152.70000114.3
343G39.8Very low35.9Very low66 Ų66150.8 Ų150.868%0.6881%0.809SS**  trans-164.6131.8164.400000110.8
344P39.9Very low36Very low132 Ų132147 Ų14786%0.85781%0.806SS**  trans-87.3134.8-17733.2-33000112.3
345V35.8Very low36.4Very low139 Ų139148.7 Ų148.784%0.84281%0.806SS**  trans-129.4137.9166.6-178.20000108.3
346Q34.5Very low37Very low182 Ų182148 Ų14885%0.8581%0.805SS**  trans-83.8144.4-168.5-59.51747.200111.7
347I36.8Very low37.3Very low165 Ų165151 Ų15185%0.84681%0.807SS**  trans-111.6109.3174.5-59.7177.3000108.9
348T32.8Very low37.8Very low122 Ų122149.7 Ų149.775%0.74881%0.809SS**  trans-78.8133.2176-43.40000110.5
349K36.6Very low38.1Very low201 Ų201153.8 Ų153.887%0.87481%0.813SS**  trans-83127.2174.6-63.3177.7-178176.10110.5
350I31.2Very low37.8Very low164 Ų164150.3 Ų150.384%0.84181%0.811SS**  trans-131.3143155.6-63.5-177.5000107.1
351S29.6Very low37.6Very low102 Ų102149.8 Ų149.871%0.71382%0.816SS**  trans-121.3137.2178179.20000109
352H35.3Very low37.4Very low182 Ų182150.5 Ų150.584%0.84382%0.818SS**  trans-147.6150148.9-107.7-82.4000109.4
353R33.9Very low37.5Very low224 Ų224149.9 Ų149.985%0.84581%0.811SS**  trans-93.6146.7166.7-66.5179.4171.4-155.1-0.5108.5
354D37.8Very low37.2Very low155 Ų155152.7 Ų152.783%0.82982%0.82SS**  trans-144135.8143-85-53.2000107.9
355D40.7Very low36.8Very low147 Ų147150.1 Ų150.179%0.78682%0.817SS**  trans-137.4111.1-173-167.2-3000108F357D355-F357 PolarHBondContact O-N 3.19Å
356I51Low36.6Very low141 Ų141150.3 Ų150.372%0.72382%0.819SS**  trans-100.117-150.5-62.2176.5000112.7
357F44.3Very low36.6Very low180 Ų180148.4 Ų148.479%0.78982%0.819SS**  trans-131.8116.7174.1-69.4-74.9000113D355D355-F357 PolarHBondContact O-N 3.19Å
358P44.1Very low36.3Very low126 Ų126147.4 Ų147.482%0.81882%0.815SS**PPolyproline II helixtrans-76.2127.8-179.630.2-33.5000111.6
359R39Very low36.4Very low236 Ų236148.1 Ų148.189%0.89181%0.813SS**PPolyproline II helixtrans-77.6139162.6-81.3-173.9168.6-140.6-3110.2
360P33.7Very low36.1Very low132 Ų132144.4 Ų144.486%0.85780%0.803SS**PPolyproline II helixtrans-69.6138.5168.630-33.6000110.5
361A35.3Very low36.3Very low97 Ų97143.8 Ų143.880%0.80280%0.796SS**  trans-130.1136.6171.800000109.7
362V36.9Very low36.5Very low141 Ų141144.2 Ų144.286%0.85579%0.791SS**  trans-86.1141.2-176.3-171.50000108.5
363P37.6Very low36.4Very low114 Ų114142.8 Ų142.874%0.7479%0.785SS**  trans-80158.8-157.730.8-37.9000114.8
364S35Very low36.3Very low124 Ų124138.4 Ų138.487%0.86778%0.777SS**  trans-157.4135.3163.2-78.50000112.2
365G31.3Very low36.1Very low78 Ų78139.3 Ų139.380%0.80477%0.774SS**  trans69.984.2143.600000118.8
366V32Very low35.6Very low144 Ų144138.4 Ų138.487%0.87377%0.774SS**  trans-42.2134.1154174.20000112.9
367V33.8Very low34.7Very low142 Ų142140.4 Ų140.486%0.86178%0.78SS**  -166.5155.4127.8142.30000109.2
368N30.6Very low34.2Very low143 Ų143138.8 Ų138.877%0.76578%0.775SS**  trans-112.5-172.1-166-170.43.7000111.3
369I34.6Very low33.8Very low137 Ų137140.4 Ų140.470%0.70377%0.772SS**  trans111.991.4154.7-60.7173.2000117.4
370N30.3Very low33.5Very low123 Ų123138.4 Ų138.466%0.65877%0.772SS**  82.1133.1125.6-80.5-16.4000125.6
371Q35.7Very low33.4Very low151 Ų151141.4 Ų141.471%0.70677%0.772SS**  trans73.4149.7134.4-69.7-179.248.600119.7
372N32.9Very low33.2Very low112 Ų112143.1 Ų143.160%0.59977%0.773SS**  cis-153.6164.2-9.3-129.4-35.3000113.4
373Q34.5Very low33Very low152 Ų152143.3 Ų143.371%0.7177%0.768SS**  trans-7.2157144.3-77.3-170.885.500121.1
374L31.4Very low32.6Very low131 Ų131145.1 Ų145.169%0.68677%0.77SS**  cis-173.7-179-10.5-161.368.6000109.4
375K32.7Very low32.6Very low175 Ų175148.6 Ų148.676%0.76177%0.77SS**  trans76.697.7154.3-78.1170178.3173.50121.4
376T30.2Very low33.4Very low128 Ų128149.5 Ų149.579%0.78576%0.762SS**  10.4134.5116.957.10000120.6
377Q33.6Very low33.3Very low182 Ų182148.3 Ų148.385%0.8575%0.754SS**  -166.5171.4114.3-102.6-71.71600110.5
378Q33.4Very low33.3Very low146 Ų146146.5 Ų146.568%0.68274%0.744SS**  trans-118.2163.7-169.9-62.5-170.7-2.900115.5
379Q34.6Very low33.2Very low161 Ų161145.8 Ų145.875%0.75274%0.74SS**  trans65138.9156.9-67.9170.560.300116.3
380Q32.8Very low33Very low193 Ų193148 Ų14890%0.90275%0.748SS**  -149.7-165.158.4-77.5-176.5-5.100113.5
381K33.2Very low33.2Very low196 Ų196145.8 Ų145.885%0.85275%0.746SS**  trans-145.4116.8-158.6168.2-150.2172.2-174.60112.9
382T31.1Very low32.9Very low133 Ų133146.9 Ų146.982%0.81676%0.755SS**  trans-177.7156.8164.723.10000108.3
383L32.1Very low32.7Very low145 Ų145146 Ų14676%0.75976%0.763SS**  cis-165.2179.6-26.9-132.9176.1000107
384I29.6Very low32.7Very low151 Ų151146.2 Ų146.277%0.77477%0.769SS**  trans77.4112.4160.3-60.5148.5000118.8
385F35.2Very low33.6Very low198 Ų198145.3 Ų145.387%0.86877%0.771SS**  trans-87.8168.9149.7-89.9-84.5000108.5
386P47.8Very low33.5Very low97 Ų97146.1 Ų146.163%0.6378%0.778SS**  cis-157.3-168.142.738.2-11.9000118.4
387T29.8Very low33.5Very low118 Ų118142.8 Ų142.872%0.72477%0.768SS**  trans60.4150.6144.151.40000122.3
388T33.7Very low33.4Very low105 Ų105140.8 Ų140.864%0.64477%0.774SS**  cis-164.8-176.3-18.528.50000108.9
389D27.3Very low33.4Very low128 Ų128137.2 Ų137.268%0.68478%0.777SS**  trans78.4120.8152.9-53.4-39.4000117.5
390E31.7Very low34.6Very low184 Ų184135.7 Ų135.786%0.8678%0.781SS**  82.5141.669-78.9-150.415400113.8
391A33.2Very low35.4Very low75 Ų75132.7 Ų132.762%0.6278%0.778SS**  cis-163.9-154.2-10.700000109.8
392I31Very low35.5Very low175 Ų175130.8 Ų130.890%0.89777%0.772SS**  trans81.8131171-54.2164.9000113.8
393A28.8Very low35.6Very low92 Ų92132.8 Ų132.876%0.7677%0.765SS**  cis-133.9174.112.500000115
394N32.9Very low35.7Very low157 Ų157135 Ų13584%0.8476%0.763SS**  trans-134.9-178.1172.6-127.8-21.6000107.8
395P50.7Low35.9Very low113 Ų113133 Ų13373%0.73476%0.763SS**  cis-116.4-166.88.939.6-21.2000112.5
396Q30Very low35.8Very low192 Ų192130.6 Ų130.690%0.89776%0.764SS**  cis-169.1168.526.4-170.6174.237.100108
397G31.1Very low35.1Very low57 Ų57129.5 Ų129.559%0.58877%0.77SS**  cis156.6174.2-9.900000112.9
398S30.9Very low35.5Very low140 Ų140135.6 Ų135.698%0.97978%0.78SS**  trans77.2160.2174.982.10000119.9
399G34.2Very low36.5Very low71 Ų71135.7 Ų135.773%0.73278%0.783SS**  trans-161.2-160.5-163.500000116.8
400P59Low37.6Very low130 Ų130135.4 Ų135.484%0.84479%0.787SS**  trans-110.1161.6-155.440.4-37000118.2
401P50.4Low37.9Very low129 Ų129136 Ų13684%0.83879%0.787SS**  trans-144-163.8148.439.5-22.7000114.6
402Q35.8Very low38Very low157 Ų157142.2 Ų142.273%0.73480%0.8SS**  -164.8156.7-81.5-149.7-172.177.800111.3
403R32.8Very low38.2Very low174 Ų174141.7 Ų141.766%0.65780%0.798SS**  trans85.4118.8152.7-61.4-169.9178.7-159.30.4126.2
404R34.1Very low39.1Very low192 Ų192142.2 Ų142.273%0.72579%0.794SS**  63.8126.5116.9-56.6179.4-171.7-164.20.6125.7
405S32.5Very low39.1Very low109 Ų109142.8 Ų142.876%0.76279%0.794SS**  trans63.7161.4136.164.90000120.3
406V34.2Very low38.2Very low148 Ų148142.3 Ų142.390%0.89779%0.789SS**  cis-150.4169.812.1-137.30000110.8
407G32Very low38.1Very low74 Ų74139.8 Ų139.876%0.76378%0.777SS**  trans145.9134.7154.500000120.2
408R39.2Very low38Very low245 Ų245146.4 Ų146.493%0.92578%0.784SS**  trans-163.4175.5169.4-115-158.3177.2-1651.8108.9
409P53.9Low37.9Very low108 Ų108146.4 Ų146.470%0.70177%0.772SS**  cis-102.8-104.53.328.7-7.6000112.4
410P51.7Low37.7Very low121 Ų121149.4 Ų149.479%0.78678%0.776SS**  cis-104.2-131.5-9.742-30.7000113.2
411K38.1Very low36.2Very low197 Ų197147.2 Ų147.286%0.85777%0.768SS**  trans-156.7158.9-180-59.2175.9-177.3173.20111
412K35Very low35.9Very low205 Ų205146.9 Ų146.989%0.89177%0.766SS**  -169.6160.5122.5-79.4-140.2-177.3176.70111.4
413L34.8Very low35.5Very low164 Ų164147.5 Ų147.586%0.85977%0.769SS**  trans-123.5-171.1171.1-58.5170.5000106.9
414P47.3Very low35.4Very low104 Ų104146.2 Ų146.268%0.67578%0.781SS**  cis-137.9-158.7-441.6-21.1000114
415M32.8Very low35.2Very low169 Ų169145.3 Ų145.383%0.83379%0.785SS**  trans73.3151.7154.7-77.6174.969.300117.9
416V31.7Very low35.1Very low102 Ų102147.3 Ų147.362%0.61879%0.792SS**  cis-151.2148-1.989.40000113.6
417Q28.4Very low34.8Very low140 Ų140147.9 Ų147.965%0.65478%0.783SS**  trans39.4135.6140.9-88.2-177.552.200125.3
418R28.2Very low35.3Very low196 Ų196150.2 Ų150.274%0.7479%0.785SS**  98.7113.2114.5178.8-179.1-68.9-157.42.3122.1
419I30.6Very low34.9Very low140 Ų140145.6 Ų145.672%0.71877%0.773SS**  trans86.4118.2135.8-81175.9000123
420V29Very low33.8Very low134 Ų134145.1 Ų145.181%0.81277%0.773SS**  trans74.3145.91351720000121.3
421A28.4Very low33.5Very low83 Ų83145 Ų14569%0.68677%0.772SS**  trans-105.3175.1174.900000110.7
422P42.8Very low33.3Very low122 Ų122142.1 Ų142.179%0.79276%0.764SS**  -147.4-162.477.340.7-21.1000114.2
423E27.9Very low33.2Very low170 Ų170139.1 Ų139.179%0.79476%0.758SS**  trans-69.6162.6-176.4-56.9157.693.900114.6
424T29.9Very low33.1Very low148 Ų148135.9 Ų135.991%0.90875%0.745SS**  -164.3154.8122.96.80000111.2
425Q31.3Very low32.4Very low173 Ų173140.2 Ų140.281%0.80875%0.753SS**  trans-93.6153.5175.1-56173.57.600110.6
426T29.4Very low32.3Very low150 Ų150137.8 Ų137.892%0.9275%0.748SS**  174166.4122.731.60000112.6
427K29.4Very low32.3Very low160 Ų160139.8 Ų139.870%0.69676%0.755SS**  trans-116147.8-175.3-160.3-156.4-178-170.20110.8
428P42.6Very low32.3Very low124 Ų124139 Ų13981%0.80576%0.76SS**  trans-130.4-162.7140.434.8-21.7000112.9
429Q29.1Very low32.3Very low147 Ų147136.8 Ų136.869%0.68776%0.761SS**  trans-156.1171.6-157.9-160158.3-92.800113.9
430S30.9Very low32.2Very low98 Ų98133.5 Ų133.569%0.68576%0.761SS**  trans68.3167.7169.726.40000116.7
431P45.9Very low32.4Very low118 Ų118136.5 Ų136.577%0.76676%0.763SS**  cis-1021760.213.310.7000113.1
432I34.1Very low33.5Very low137 Ų137137.6 Ų137.670%0.70376%0.764SS**  cis92.713024.6-60.6174000115.7
433N32.3Very low32.8Very low143 Ų143138.1 Ų138.177%0.76577%0.765SS**  trans74154.9167.9-84.3-28.8000118.7
434T32.4Very low32.9Very low96 Ų96135.2 Ų135.259%0.58976%0.763SS**  cis-1621513.53.80000112.9
435K32.5Very low32.8Very low194 Ų194133.9 Ų133.984%0.84376%0.76SS**  trans56.8165.8139.6-71.7174.8-172.5-179.60121.2
436V30.9Very low32.7Very low119 Ų119132.3 Ų132.372%0.72176%0.762SS**  cis-171.8168.1-34.2133.20000108.2
437L31.7Very low32.7Very low144 Ų144130 Ų13075%0.75476%0.758SS**  trans79.9136178.6-65.9138.7000116
438T28.2Very low32.7Very low124 Ų124128.2 Ų128.276%0.76177%0.765SS**  cis79.9145.27.4-12.20000115.3
439I29.9Very low32Very low148 Ų148125.7 Ų125.776%0.75976%0.762SS**  cis-153.4151.423.4-38159.7000112.2
440G28.2Very low32Very low71 Ų71125.9 Ų125.973%0.73277%0.768SS**  trans158.7110.9165.600000113.1
441K32Very low32Very low197 Ų197127.3 Ų127.386%0.85777%0.767SS**  cis75.6150.924.6-100.5-176.5-179.7-177.30115.2
442P51.5Low31.2Very low106 Ų106128.2 Ų128.269%0.68877%0.765SS**  cis-136178-142.7-26000116.2
443T28.1Very low31Very low134 Ų134128.7 Ų128.782%0.82277%0.769SS**  163.8146.1129.942.60000111
444S30.7Very low30.9Very low109 Ų109129.5 Ų129.576%0.76277%0.772SS**  cis-176.9129.6-39.642.50000110.2
445S27.5Very low30.6Very low119 Ų119128.6 Ų128.683%0.83277%0.774SS**  trans-152.1136.5152.757.50000109.8
446V29.6Very low30.3Very low141 Ų141126.2 Ų126.286%0.85577%0.769SS**  trans-147.5122.8177.51750000109.1
447A29.3Very low30.2Very low102 Ų102129.5 Ų129.584%0.84377%0.773SS**  trans-153.4129.8150.300000107.6
448S29.3Very low30.1Very low121 Ų121127.2 Ų127.285%0.84677%0.769SS**  trans-97.4163.6178.5-53.90000110.2
449G29Very low30.4Very low71 Ų71128.4 Ų128.473%0.73277%0.771SS**  cis163.2-157.20.300000110.9
450N28.8Very low30.6Very low151 Ų151127.5 Ų127.581%0.80777%0.772SS**  trans73.6126.6165.3-90.60.9000122.6
451I30.4Very low30.7Very low129 Ų129129.6 Ų129.666%0.66277%0.77SS**  72.3116.7128.3-61.6173.2000121.8
452N28.8Very low30.7Very low136 Ų136126.3 Ų126.373%0.72777%0.767SS**  trans32127.1139-50-10.5000124
453N30.3Very low29.7Very low148 Ų148125.4 Ų125.479%0.79176%0.763SS**  trans76.2152.7131.1-76.7-4.7000123.3
454I29.5Very low29.9Very low160 Ų160125.9 Ų125.982%0.82176%0.759SS**  trans84.992.9158.7-64.2147.9000119.2
455A26.5Very low30.1Very low76 Ų76125.9 Ų125.963%0.62876%0.759SS**  64.9121.4117.500000125.2
456I27Very low30.3Very low145 Ų145125.3 Ų125.374%0.74476%0.755SS**  81.8136.7124.4-68.4172.8000121
457K27.1Very low30.4Very low188 Ų188123.4 Ų123.482%0.81775%0.748SS**  trans69.7123172.8-69.9154.2-170.3176.80116.3
458S31.4Very low30.6Very low95 Ų95125.1 Ų125.166%0.66475%0.748SS**  cis101.2144.210.892.90000117.6
459N33.6Very low30.6Very low149 Ų149123.6 Ų123.680%0.79774%0.743SS**  trans92.8138.8167.5-59.213000116.5
460V34.1Very low30.7Very low129 Ų129127 Ų12778%0.78275%0.75SS**  cis-164.5168.4-15.1106.20000109.6
461V29.9Very low30.9Very low116 Ų116125.6 Ų125.670%0.70375%0.747SS**  trans142.6112.2148.6166.80000114.7
462T32.4Very low30.8Very low127 Ų127126.3 Ų126.378%0.77975%0.752SS**  trans59.4150159.651.60000120.9
463S30.2Very low30.9Very low88 Ų88125.8 Ų125.862%0.61575%0.754SS**  cis-155.4144.32.7-1180000114.3
464I32.9Very low30.9Very low144 Ų144125.5 Ų125.574%0.73875%0.751SS**  trans58.298.5140.4-58.2167000116.7
465S35.4Very low30.7Very low108 Ų108123.3 Ų123.376%0.75575%0.745SS**  77.4145.687.3-61.90000114.1
466S30.1Very low30.8Very low107 Ų107129.4 Ų129.475%0.74876%0.758SS**  cis-170.9168.84.832.40000108.5
467S33.6Very low30.7Very low102 Ų102125.6 Ų125.671%0.71375%0.754SS**  cis178.5165.7-20.9-76.50000104.6
468T31.4Very low30.7Very low137 Ų137124.8 Ų124.884%0.8476%0.757SS**  cis-160.9171.34.4-3.80000105.8
469A29.3Very low30.5Very low90 Ų90124.5 Ų124.574%0.74476%0.755SS**  cis-147.11772.900000110.4
470T31.1Very low30.3Very low142 Ų142124.3 Ų124.387%0.87175%0.754SS**  trans-120.4179.7-167.546.70000114.7
471T32.9Very low30.1Very low121 Ų121125.5 Ų125.574%0.74276%0.756SS**  trans-64.6147.8-175.650.70000116.7
472N29.3Very low30Very low144 Ų144124.2 Ų124.277%0.7775%0.752SS**  trans27.3129.1142.7-58.2-6.4000120.5
473T30.4Very low30.1Very low125 Ų125125 Ų12577%0.76775%0.75SS**  -177.7140106.424.10000114.3
474I31Very low30.1Very low143 Ų143129.1 Ų129.173%0.73376%0.757SS**  trans49.7121.9140.4-53.4162.5000117.3
475T25.5Very low30.1Very low114 Ų114128.5 Ų128.570%0.69976%0.76SS**  -175.5152.175.6-29.80000111.8
476K27.4Very low30Very low204 Ų204128.6 Ų128.689%0.88776%0.756SS**  trans61.5162.7166.1-68.8169.9-176.7177.50115.5
477G25.9Very low30.1Very low65 Ų65131 Ų13167%0.6776%0.755SS**  cis144.2106.4-12.500000114
478I26.8Very low30Very low170 Ų170133.2 Ų133.287%0.87276%0.759SS**  trans83140.7164-54.4170.6000117.4
479S27.9Very low30Very low89 Ų89133 Ų13362%0.62276%0.758SS**  trans68.3107159.3580000123.2
480N27.9Very low30.1Very low146 Ų146135.6 Ų135.678%0.78176%0.759SS**  73.4130.3116-56.1-7.5000123.2
481N30.1Very low30.1Very low154 Ų154136.1 Ų136.182%0.82476%0.761SS**  trans69.5149.4145.4-72.6-15.7000119.8
482S29Very low30Very low88 Ų88134.6 Ų134.662%0.61575%0.748SS**  cis-171.6162.2-23.7-163.30000109.9
483I33.7Very low29.9Very low143 Ų143133.4 Ų133.473%0.73375%0.751SS**  trans67.3139.9159.2-70.3150.3000117.1
484K30.6Very low30Very low176 Ų176136.4 Ų136.477%0.76575%0.749SS**  cis-166.1136.6-21.2-100.5-179.3-174.7-179.80108.1
485T33.3Very low29.8Very low130 Ų130134.8 Ų134.880%0.79875%0.75SS**  trans-176.198.4144.322.10000108.3
486T33.2Very low30Very low110 Ų110135.7 Ų135.768%0.67576%0.758SS**  69.593.710058.20000116.1
487E31.6Very low30.1Very low157 Ų157133 Ų13373%0.73475%0.754SS**  73110.8129.2-68.1155.1-112.800122.2
488N32.2Very low30.1Very low149 Ų149135.1 Ų135.180%0.79776%0.758SS**  44.9123.6118.2-48.9-18.7000120.7
489V31Very low30.3Very low134 Ų134132.1 Ų132.181%0.81275%0.753SS**  -157154.3127.9143.60000109
490N31.7Very low30.3Very low144 Ų144132.8 Ų132.877%0.7776%0.757SS**  trans-64.4157.4-176.5-68.1-23.6000115I492N490-I492 PolarHBondContact O-N 3.11Å
491V30.1Very low30.2Very low152 Ų152131.7 Ų131.792%0.92176%0.756SS**  trans-66.8124.7160.3177.30000109
492I31.7Very low30.1Very low89 Ų89129.1 Ų129.146%0.45675%0.75SS.*  trans-105130.8-179.3-54.9173.3000110.2N490 Y494N490-I492 PolarHBondContact O-N 3.11Å; I492-Y494 HydrophobicContact CB-CD2 3.94Å; I492-Y494 HydrophobicContact CB-CE2 3.61Å; I492-Y494 HydrophobicContact CD1-CE2 3.91Å; I492-Y494 HydrophobicContact CG1-CE2 4.35Å; I492-Y494 HydrophobicContact CG2-CD1 4.3Å; I492-Y494 HydrophobicContact CG2-CD2 3.71Å; I492-Y494 HydrophobicContact CG2-CE1 4.03Å; I492-Y494 HydrophobicContact CG2-CE2 3.41Å; I492-Y494 VanDerWaalsContact CG2-CE2 3.41Å; I492-Y494 HydrophobicContact CG2-CG 4.15Å; I492-Y494 PolarHBondContact O-N 2.93Å
493S27.9Very low30Very low119 Ų119130.3 Ų130.383%0.83276%0.758SS**  trans-74.4107.6165.653.60000110.2
494Y30.6Very low29.7Very low189 Ų189128.3 Ų128.374%0.74176%0.757SS**  trans-107.2112.3174.4-81-65000112.5I492I492-Y494 HydrophobicContact CB-CD2 3.94Å; I492-Y494 HydrophobicContact CB-CE2 3.61Å; I492-Y494 HydrophobicContact CD1-CE2 3.91Å; I492-Y494 HydrophobicContact CG1-CE2 4.35Å; I492-Y494 HydrophobicContact CG2-CD1 4.3Å; I492-Y494 HydrophobicContact CG2-CD2 3.71Å; I492-Y494 HydrophobicContact CG2-CE1 4.03Å; I492-Y494 HydrophobicContact CG2-CE2 3.41Å; I492-Y494 VanDerWaalsContact CG2-CE2 3.41Å; I492-Y494 HydrophobicContact CG2-CG 4.15Å; I492-Y494 PolarHBondContact O-N 2.93Å
495S26.9Very low29.7Very low108 Ų108125.4 Ų125.476%0.75576%0.759SS**  trans-64.8137.9153.2-55.60000109.3N497S495-N497 PolarHBondContact O-N 3.49Å
496P31.3Very low29.4Very low133 Ų133129 Ų12986%0.86476%0.763SS**  trans-76.6114.7173.730.3-32.2000110.2
497N28Very low29.3Very low149 Ų149128.2 Ų128.280%0.79777%0.768SS**  trans-144.4128163.2-160.969.1000110.5S495S495-N497 PolarHBondContact O-N 3.49Å
498S27.3Very low29.2Very low108 Ų108126.9 Ų126.976%0.75577%0.771SS**  trans-159.9115.8172.3-80.80000107
499S30.5Very low29.2Very low108 Ų108126.6 Ų126.676%0.75578%0.775SS**  82.6138.175.2-68.70000111.2
500S28.3Very low29.1Very low103 Ų103124.1 Ų124.172%0.7278%0.776SS**  cis-148.7171.72.240.70000108.6
501T25.4Very low29.1Very low123 Ų123122.2 Ų122.276%0.75578%0.78SS**  175.1164.26743.90000108.4
502S28.3Very low29.3Very low99 Ų99120.9 Ų120.969%0.69278%0.777SS**  cis179.7163.8-27.357.70000109.5
503S25.6Very low29.3Very low114 Ų114120.3 Ų120.380%0.79779%0.793SS**  trans77154.816785.50000117.7
504S28.3Very low29.5Very low100 Ų100119.3 Ų119.370%0.69979%0.793SS**  cis-167.9168.7-33.261.20000112.4
505S30Very low29.5Very low115 Ų115115.8 Ų115.880%0.80479%0.791SS**  trans75.1151172.188.40000116.2
506K28.5Very low29.7Very low207 Ų207117.8 Ų117.890%0.979%0.791SS**  cis-147.2162.9-9.9-148.7175.9-179.8-179.30109.1
507A30.8Very low29.5Very low93 Ų93117.6 Ų117.677%0.76979%0.788SS**  trans-119.9161-168.500000114.9
508T28.7Very low29.5Very low129 Ų129117 Ų11779%0.79178%0.784SS**  trans-155.1124158.427.40000112.1
509T32.7Very low29.7Very low143 Ų143118.2 Ų118.288%0.87778%0.781SS**  trans33.6138.8143.356.70000121.5
510G28.6Very low30.2Very low81 Ų81118.9 Ų118.984%0.83578%0.783SS**  cis177.5178.53.700000109
511A31.2Very low30.5Very low104 Ų104119.4 Ų119.486%0.8678%0.782SS**  cis-151-172.66.500000111.6
512S34.5Very low30.7Very low124 Ų124120.3 Ų120.387%0.86779%0.787SS**  trans-51.2156.6-179.2-43.40000115.3
513G32.2Very low30.6Very low77 Ų77121.3 Ų121.379%0.79479%0.789SS**  cis110.4143.615.700000111.4
514A32.3Very low30.8Very low99 Ų99121.8 Ų121.882%0.81879%0.788SS**  cis-146.5-123.9-15.900000109
515V30.6Very low30.9Very low115 Ų115121.9 Ų121.970%0.69780%0.795SS**  cis-169.5142.30.174.10000111.5
516I30.4Very low30.7Very low150 Ų150119.6 Ų119.677%0.76979%0.789SS**  trans63.8151167.6-23169.5000115.3
517T27.5Very low30.7Very low128 Ų128116.5 Ų116.579%0.78579%0.788SS**  cis-150.1172.423.7-370000113.4
518N27.1Very low30.5Very low136 Ų136117.8 Ų117.873%0.72779%0.791SS**  trans-116151.3-168-63.3-10.4000115.6
519I33.3Very low30.7Very low134 Ų134118.1 Ų118.169%0.68779%0.792SS**  40.6125.9119.8-49.4169.6000117.8T521I519-T521 WeakPolarHBondContact CG2-OG1 3.47Å
520P40.7Very low31Very low123 Ų123116.9 Ų116.980%0.79979%0.787SS**  -143.816172.928.9-5.7000116.4
521T34.8Very low31.1Very low113 Ų113119.6 Ų119.669%0.69379%0.787SS**  cis92.1106.333-51.40000115.4I519I519-T521 WeakPolarHBondContact CG2-OG1 3.47Å
522T28.8Very low30.9Very low142 Ų142117.6 Ų117.687%0.87178%0.776SS**  trans-151.2-171.1155.847.30000111.7
523T27Very low30.6Very low120 Ų120121.8 Ų121.874%0.73678%0.779SS**  -151.3164.1-124.4-33.50000112.8
524T30Very low30.5Very low125 Ų125123.5 Ų123.577%0.76778%0.779SS**  trans89.1134149.8-52.80000120.5
525A28.6Very low30.5Very low102 Ų102126.5 Ų126.584%0.84378%0.779SS**  trans64.3161.6161.300000119.2
526G26.5Very low30.5Very low66 Ų66127 Ų12768%0.6878%0.783SS**  cis155.7108-15.100000116.3
527T27.8Very low30.5Very low143 Ų143128.7 Ų128.788%0.87779%0.788SS**  trans56.4115.8152.8-49.20000121.1
528S26.9Very low30.7Very low119 Ų119131 Ų13183%0.83279%0.794SS**  170.7169.7124.851.10000113.6
529V33.7Very low31.1Very low136 Ų136131.5 Ų131.582%0.82479%0.79SS**  trans-145.4133.7-170.8172.40000110.3
530P38.7Very low31.1Very low117 Ų117131.7 Ų131.776%0.7679%0.789SS**  -141.5151118.937.4-23.3000111.6
531V29.7Very low30.5Very low139 Ų139132.2 Ų132.284%0.84279%0.791SS**  -173.6155.470.9162.40000106.3
532G27.8Very low30.9Very low61 Ų61132.8 Ų132.863%0.62979%0.785SS**  cis140.376.1-4.700000115.1
533K28.5Very low31.3Very low212 Ų212138.1 Ų138.192%0.92279%0.789SS**  trans-172141.1146.5-103.4160.7-171.5177.10110.1
534S30.8Very low32.1Very low113 Ų113135.7 Ų135.779%0.7979%0.789SS**  trans-162.1128.7-166.157.30000114.5
535I32.2Very low32.3Very low163 Ų163136.4 Ų136.484%0.83679%0.793SS**  trans-150.8131.6166.3-64-176.3000108.1
536T30.5Very low33.1Very low125 Ų125140.9 Ų140.977%0.76780%0.796SS**  cis-156.1140.4-27.630.10000107.9
537Q29.2Very low33.6Very low186 Ų186143.7 Ų143.787%0.86980%0.8SS**  trans-142.1127.7167.9-90.1-86.72.300107.6
538L31.7Very low34.5Very low177 Ų177140.8 Ų140.893%0.92780%0.799SS**  trans-106.6112.4176.1-85.8172.1000110.6
539K37.1Very low35.5Very low145 Ų145140.7 Ų140.763%0.6379%0.794SS**  trans-84.7168.1177.7-164.4-170.3169.5-174.40110.8E542K539-E542 WeakPolarHBondContact CE-OE2 3.48Å; K539-E542 IonicContact NZ-OE2 3.03Å; K539-E542 PolarHBondContact NZ-OE2 2.81Å
540M31.4Very low36.6Very low138 Ų138139.6 Ų139.668%0.6878%0.779SS**  trans109.7139.8155.3-55.9-59.9-97.300113.9
541T28.3Very low37.6Very low135 Ų135138.3 Ų138.383%0.82877%0.766SS**  cis-124.8142.120.7-54.60000113.9
542E43.5Very low39.1Very low124 Ų124135.3 Ų135.358%0.57975%0.749SS**  trans-110.4133.2-178.8176.1-172.4170.300110.6K539K539-E542 WeakPolarHBondContact CE-OE2 3.48Å; K539-E542 IonicContact NZ-OE2 3.03Å; K539-E542 PolarHBondContact NZ-OE2 2.81Å
543R38.4Very low40.5Very low254 Ų254140.5 Ų140.596%0.95876%0.755SS**  trans-172.6126156.7-105.3175.9-168.9-169.53.8108.5
544G42.9Very low42.8Very low70 Ų70131.9 Ų131.972%0.72272%0.722SS**  cis156.878.8-600000112.8
545T35.2Very low44.8Very low140 Ų140128.8 Ų128.886%0.85970%0.696SS**  trans-129.5110.1164.548.60000109.2T547T545-T547 PolarHBondContact O-N 3.37Å
546Q45Very low47.2Very low195 Ų195126.9 Ų126.991%0.91169%0.688SS**  trans-85.897.2-166.8177.3-172-11.500112
547T36.5Very low49.8Very low125 Ų125123.9 Ų123.977%0.76767%0.665SS**  trans-137.357.4157.751.10000110.4T545 V549T545-T547 PolarHBondContact O-N 3.37Å; T547-V549 PolarHBondContact O-N 3.48Å
548G47.2Very low52.4Low83 Ų83119.4 Ų119.486%0.85664%0.643SS**  trans-69.336175.300000114.7Q550G548-Q550 PolarHBondContact O-N 3.1Å
549V48Very low55.1Low117 Ų117115.3 Ų115.371%0.70962%0.621SS**  trans-76.9110.2173.7-176.60000107.2T547 N551T547-V549 PolarHBondContact O-N 3.48Å; V549-N551 PolarHBondContact O-N 3.38Å
550Q55.4Low57.5Low113 Ų113113.3 Ų113.353%0.52861%0.614SS.*  trans-52.1124.2166.2-77.6-130.960.700108.1G548 P552 E560G548-Q550 PolarHBondContact O-N 3.1Å; Q550-P552 VanDerWaalsContact O-CD 3.22Å; Q550-P552 WeakPolarHBondContact O-CD 3.37Å; Q550-P552 VanDerWaalsContact O-N 3.07Å; Q550-E560 PolarHBondContact NE2-OE2 3.2Å
551N60.9Low60.1Low90 Ų90111.8 Ų111.848%0.48161%0.606SS.*  trans-62.3114.6-175.5175.73.6000109.3V549 F553 S554V549-N551 PolarHBondContact O-N 3.38Å; N551-F553 PolarHBondContact O-N 3.31Å; N551-F553 PolarHBondContact OD1-N 2.78Å; N551-S554 WeakPolarHBondContact O-CB 3.44Å; N551-S554 PolarHBondContact O-N 2.91Å; N551-S554 PolarHBondContact O-OG 2.89Å
552P61.4Low62.9Low75 Ų75106.6 Ų106.649%0.48757%0.573SS.*THydrogen-bonded Turntrans-67.6-11.6-175.628.3-35.3000112.7Q550Q550-P552 VanDerWaalsContact O-CD 3.22Å; Q550-P552 WeakPolarHBondContact O-CD 3.37Å; Q550-P552 VanDerWaalsContact O-N 3.07Å
553F55.4Low64.9Low171 Ų171107.5 Ų107.575%0.7558%0.575SS**THydrogen-bonded Turntrans-100.615.5174.4-51.5-69.4000113.4N551N551-F553 PolarHBondContact O-N 3.31Å; N551-F553 PolarHBondContact OD1-N 2.78Å
554S77.6Confident67.4Low31 Ų3199 Ų9922%0.21755%0.553CS.*  trans-86.6141.3173.7670000112.1N551 N556 H557 F558N551-S554 WeakPolarHBondContact O-CB 3.44Å; N551-S554 PolarHBondContact O-N 2.91Å; N551-S554 PolarHBondContact O-OG 2.89Å; S554-N556 PolarHBondContact O-N 2.84Å; S554-H557 PolarHBondContact O-N 2.86Å; S554-H557 VanDerWaalsContact OG-CB 3.27Å; S554-H557 WeakPolarHBondContact OG-CB 3.45Å; S554-H557 PolarHBondContact OG-N 3.37Å; S554-F558 PolarHBondContact O-N 3.37Å; S554-F558 VanDerWaalsContact O-N 3.1Å
555D73.4Confident69.4Low47 Ų47101 Ų10125%0.25154%0.544SS..Hα-helixtrans-60.2-37.5-179.3-48.2-66.5000111.9R6 F558 L559R6-D555 WeakPolarHBondContact CG-OD1 3.28Å; R6-D555 WeakPolarHBondContact CG-OD2 3.43Å; R6-D555 IonicContact CZ-OD2 2.75Å; R6-D555 IonicContact NE-OD1 3.93Å; R6-D555 IonicContact NE-OD2 3.59Å; R6-D555 PolarHBondContact NE-OD2 3.2Å; R6-D555 IonicContact NH2-OD2 2.76Å; R6-D555 PolarHBondContact NH2-OD2 2.91Å; D555-F558 PolarHBondContact O-N 3.22Å; D555-L559 WeakPolarHBondContact O-CB 3.4Å; D555-L559 VanDerWaalsContact O-CG 3.31Å; D555-L559 WeakPolarHBondContact O-CG 3.34Å; D555-L559 PolarHBondContact O-N 3.45Å
556N81.4Confident71.8Confident124 Ų12498.2 Ų98.266%0.66352%0.522SS*.Hα-helixtrans-61.3-47.1178-67.718.7000110.7S554 L559 E560S554-N556 PolarHBondContact O-N 2.84Å; N556-L559 PolarHBondContact O-N 3.35Å; N556-E560 WeakPolarHBondContact O-CB 3.41Å; N556-E560 PolarHBondContact O-N 3.44Å
557H85.9Confident73.9Confident62 Ų6296.5 Ų96.529%0.28751%0.514SS..Hα-helixtrans-65.7-39.3178.5-174.765.6000112.4S554 E560 M561S554-H557 PolarHBondContact O-N 2.86Å; S554-H557 VanDerWaalsContact OG-CB 3.27Å; S554-H557 WeakPolarHBondContact OG-CB 3.45Å; S554-H557 PolarHBondContact OG-N 3.37Å; H557-E560 IonicContact ND1-OE2 3.7Å; H557-E560 PolarHBondContact O-N 2.99Å; H557-M561 WeakPolarHBondContact O-CB 3.13Å; H557-M561 PolarHBondContact O-N 3.38Å
558F84.2Confident76.5Confident92 Ų9298.6 Ų98.640%0.40452%0.515SS..Hα-helixtrans-63.7-42.4174.6176.6-100.6000112.4S554 D555 M561 I562S554-F558 PolarHBondContact O-N 3.37Å; S554-F558 VanDerWaalsContact O-N 3.1Å; D555-F558 PolarHBondContact O-N 3.22Å; F558-M561 HydrophobicContact CD2-CE 4.11Å; F558-M561 HydrophobicContact CE2-CE 4.46Å; F558-I562 HydrophobicContact CD1-CD1 4.37Å; F558-I562 HydrophobicContact CD2-CD1 4.14Å; F558-I562 HydrophobicContact CE1-CD1 3.79Å; F558-I562 HydrophobicContact CE2-CD1 3.52Å; F558-I562 HydrophobicContact CZ-CD1 3.32Å; F558-I562 PolarHBondContact O-N 3.32Å; F558-I562 VanDerWaalsContact O-N 3.12Å
559L87.3Confident78.6Confident91 Ų9196.5 Ų96.548%0.47648%0.483SS..Hα-helixtrans-71.2-34.9175.3-70.2170.9000112.2D555 N556 I562 K563D555-L559 WeakPolarHBondContact O-CB 3.4Å; D555-L559 VanDerWaalsContact O-CG 3.31Å; D555-L559 WeakPolarHBondContact O-CG 3.34Å; D555-L559 PolarHBondContact O-N 3.45Å; N556-L559 PolarHBondContact O-N 3.35Å; L559-I562 PolarHBondContact O-N 2.83Å; L559-K563 WeakPolarHBondContact O-CB 3.27Å; L559-K563 WeakPolarHBondContact O-CG 3.31Å; L559-K563 PolarHBondContact O-N 2.98Å
560E87.3Confident80.8Confident103 Ų10396.2 Ų96.248%0.48148%0.478SS..Hα-helixtrans-65-39.8174.4-177.1171.5-130.600111.5Q550 N556 H557 P564Q550-E560 PolarHBondContact NE2-OE2 3.2Å; N556-E560 WeakPolarHBondContact O-CB 3.41Å; N556-E560 PolarHBondContact O-N 3.44Å; H557-E560 IonicContact ND1-OE2 3.7Å; H557-E560 PolarHBondContact O-N 2.99Å; E560-P564 WeakPolarHBondContact O-CD 3.13Å
561M86.9Confident82.5Confident105 Ų10595 Ų9552%0.51748%0.48SS..Hα-helixtrans-67-39.8173.8-177-175.872.100113H557 F558H557-M561 WeakPolarHBondContact O-CB 3.13Å; H557-M561 PolarHBondContact O-N 3.38Å; F558-M561 HydrophobicContact CD2-CE 4.11Å; F558-M561 HydrophobicContact CE2-CE 4.46Å
562I86.4Confident83.9Confident26 Ų26100 Ų10013%0.13349%0.492CS..Hα-helixtrans-87.5-24.3-176.3-70.7179.8000112.9F558 L559 Q565 M566 F577F558-I562 HydrophobicContact CD1-CD1 4.37Å; F558-I562 HydrophobicContact CD2-CD1 4.14Å; F558-I562 HydrophobicContact CE1-CD1 3.79Å; F558-I562 HydrophobicContact CE2-CD1 3.52Å; F558-I562 HydrophobicContact CZ-CD1 3.32Å; F558-I562 PolarHBondContact O-N 3.32Å; F558-I562 VanDerWaalsContact O-N 3.12Å; L559-I562 PolarHBondContact O-N 2.83Å; I562-Q565 PolarHBondContact O-N 3.44Å; I562-M566 HydrophobicContact CG2-CG 3.71Å; I562-M566 HydrophobicContact CG2-SD 3.8Å; I562-M566 WeakPolarHBondContact O-CB 3.06Å; I562-M566 PolarHBondContact O-N 3.44Å; I562-F577 HydrophobicContact CG2-CZ 4.44Å
563K86.9Confident85.3Confident143 Ų143101.4 Ų101.462%0.62249%0.492SS*.Hα-helixtrans-52.2-48.3179.6-94.3168.6-179.9-177.30113.7L559 M566 Q567L559-K563 WeakPolarHBondContact O-CB 3.27Å; L559-K563 WeakPolarHBondContact O-CG 3.31Å; L559-K563 PolarHBondContact O-N 2.98Å; K563-M566 CarbonylContact O-C 3.53Å; K563-M566 PolarHBondContact O-N 2.91Å; K563-Q567 WeakPolarHBondContact O-CB 3.13Å; K563-Q567 PolarHBondContact O-N 2.78Å
564P90.1Very high87Confident76 Ų7697 Ų9749%0.49447%0.473SS..Hα-helixtrans-60.2-47.4177.1-25.234.9000112.7E560 M566 Q567 E568E560-P564 WeakPolarHBondContact O-CD 3.13Å; P564-M566 PolarHBondContact O-N 3.17Å; P564-Q567 WeakPolarHBondContact O-CA 3.42Å; P564-Q567 WeakPolarHBondContact O-CB 3.36Å; P564-Q567 PolarHBondContact O-N 3.34Å; P564-E568 WeakPolarHBondContact O-CB 3.2Å; P564-E568 PolarHBondContact O-N 2.84Å
565Q85.4Confident87.7Confident113 Ų113101.2 Ų101.253%0.52849%0.49SS..Hα-helixtrans-61.7-43.6178.1-62.2179.9-20.100111.2I562 Q567 E568 M569I562-Q565 PolarHBondContact O-N 3.44Å; Q565-Q567 VanDerWaalsContact C-N 3.27Å; Q565-Q567 PolarHBondContact O-N 3.17Å; Q565-E568 PolarHBondContact O-N 2.67Å; Q565-M569 WeakPolarHBondContact O-CG 3.39Å; Q565-M569 PolarHBondContact O-N 3.48Å
566M85.4Confident88.5Confident81 Ų81104.4 Ų104.440%0.39950%0.503SS..Hα-helixtrans-66.1-24.2172.8-86.3-17264.500113.6I562 K563 P564 K574 F577I562-M566 HydrophobicContact CG2-CG 3.71Å; I562-M566 HydrophobicContact CG2-SD 3.8Å; I562-M566 WeakPolarHBondContact O-CB 3.06Å; I562-M566 PolarHBondContact O-N 3.44Å; K563-M566 CarbonylContact O-C 3.53Å; K563-M566 PolarHBondContact O-N 2.91Å; P564-M566 PolarHBondContact O-N 3.17Å; M566-K574 WeakPolarHBondContact O-CE 3.43Å; M566-K574 PolarHBondContact O-NZ 3.04Å; M566-F577 HydrophobicContact CE-CE1 4.37Å; M566-F577 HydrophobicContact CG-CE1 4.13Å; M566-F577 HydrophobicContact CG-CZ 4.49Å; M566-F577 HydrophobicContact SD-CD1 4.48Å; M566-F577 HydrophobicContact SD-CE1 3.68Å; M566-F577 HydrophobicContact SD-CZ 4.22Å
567Q88.6Confident89Confident158 Ų158102.2 Ų102.274%0.73849%0.488SS*.Hα-helixtrans-74.6-49.7175.1-174.9168.9-15.200110K563 P564 Q565 M569 K574K563-Q567 WeakPolarHBondContact O-CB 3.13Å; K563-Q567 PolarHBondContact O-N 2.78Å; P564-Q567 WeakPolarHBondContact O-CA 3.42Å; P564-Q567 WeakPolarHBondContact O-CB 3.36Å; P564-Q567 PolarHBondContact O-N 3.34Å; Q565-Q567 VanDerWaalsContact C-N 3.27Å; Q565-Q567 PolarHBondContact O-N 3.17Å; Q567-M569 PolarHBondContact O-N 3.04Å; Q567-K574 PolarHBondContact O-NZ 3.36Å
568E91.4Very high89.2Confident170 Ų170106 Ų10679%0.79450%0.504SS*.Hα-helixtrans-61.3-34.8179.9-172.2174.8-164.700113.9P564 Q565 N570P564-E568 WeakPolarHBondContact O-CB 3.2Å; P564-E568 PolarHBondContact O-N 2.84Å; Q565-E568 PolarHBondContact O-N 2.67Å; E568-N570 PolarHBondContact O-N 2.88Å
569M92.1Very high89.6Confident39 Ų39108.5 Ų108.519%0.19251%0.514CS..SBendtrans-58.9132.8-179.6-78.7160.655.200114.1Q565 Q567 Q573 K574 F577Q565-M569 WeakPolarHBondContact O-CG 3.39Å; Q565-M569 PolarHBondContact O-N 3.48Å; Q567-M569 PolarHBondContact O-N 3.04Å; M569-Q573 HydrophobicContact CB-CB 4.04Å; M569-Q573 HydrophobicContact CE-CB 4.17Å; M569-Q573 WeakPolarHBondContact CE-O 3.49Å; M569-Q573 HydrophobicContact CG-CB 4.17Å; M569-K574 HydrophobicContact CB-CG 3.94Å; M569-K574 HydrophobicContact CE-CG 4.28Å; M569-K574 VanDerWaalsContact O-CD 3.26Å; M569-K574 WeakPolarHBondContact O-CD 3.26Å; M569-K574 WeakPolarHBondContact O-CE 3.39Å; M569-K574 PolarHBondContact O-NZ 3.4Å; M569-F577 HydrophobicContact CE-CB 3.46Å; M569-F577 VanDerWaalsContact CE-CB 3.46Å; M569-F577 HydrophobicContact CE-CD1 4.38Å; M569-F577 HydrophobicContact CE-CD2 4.43Å; M569-F577 HydrophobicContact CE-CG 3.88Å
570N93.8Very high89.7Confident110 Ų110111.9 Ų111.959%0.58853%0.526SS*.  trans-66.7152.7174.5-149.3-1.5000110.8E568 R572 Q573 K574E568-N570 PolarHBondContact O-N 2.88Å; N570-R572 PolarHBondContact O-N 3.06Å; N570-Q573 WeakPolarHBondContact O-CA 2.74Å; N570-Q573 WeakPolarHBondContact O-CB 3.5Å; N570-Q573 PolarHBondContact O-N 2.95Å; N570-K574 PolarHBondContact O-N 3.14Å
571P91.6Very high89.8Confident89 Ų89110.2 Ų110.258%0.57852%0.522SS*.Hα-helixtrans-55-31.9-175.1-31.539.5000115.5K574 M575P571-K574 WeakPolarHBondContact O-CB 2.96Å; P571-K574 PolarHBondContact O-N 2.91Å; P571-M575 PolarHBondContact O-N 3.27Å
572R89.8Confident89.6Confident193 Ų193111 Ų11173%0.72852%0.523SS*.Hα-helixtrans-62.6-45172-172.4176.4-68-88.42111.9N570 M575 H576N570-R572 PolarHBondContact O-N 3.06Å; R572-M575 WeakPolarHBondContact O-CB 3.45Å; R572-M575 PolarHBondContact O-N 2.89Å; R572-H576 PolarHBondContact O-CD2 3.3Å; R572-H576 PolarHBondContact O-N 3.06Å
573Q90.3Very high89.7Confident105 Ų105115 Ų11549%0.49154%0.541SS..Hα-helixtrans-65.4-40.7174.7-66.6166-33.400111.3M569 N570 M575 H576 F577M569-Q573 HydrophobicContact CB-CB 4.04Å; M569-Q573 HydrophobicContact CE-CB 4.17Å; M569-Q573 WeakPolarHBondContact CE-O 3.49Å; M569-Q573 HydrophobicContact CG-CB 4.17Å; N570-Q573 WeakPolarHBondContact O-CA 2.74Å; N570-Q573 WeakPolarHBondContact O-CB 3.5Å; N570-Q573 PolarHBondContact O-N 2.95Å; Q573-M575 VanDerWaalsContact C-N 3.3Å; Q573-M575 PolarHBondContact O-N 3.35Å; Q573-H576 PolarHBondContact O-N 3.1Å; Q573-F577 WeakPolarHBondContact O-CB 3.44Å; Q573-F577 PolarHBondContact O-N 2.94Å
574K91.2Very high89.4Confident80 Ų80110.5 Ų110.535%0.34853%0.53SS..Hα-helixtrans-57.6-41.1172.7-71.8165.7166142.50111.6M566 Q567 M569 N570 P571 K578M566-K574 WeakPolarHBondContact O-CE 3.43Å; M566-K574 PolarHBondContact O-NZ 3.04Å; Q567-K574 PolarHBondContact O-NZ 3.36Å; M569-K574 HydrophobicContact CB-CG 3.94Å; M569-K574 HydrophobicContact CE-CG 4.28Å; M569-K574 VanDerWaalsContact O-CD 3.26Å; M569-K574 WeakPolarHBondContact O-CD 3.26Å; M569-K574 WeakPolarHBondContact O-CE 3.39Å; M569-K574 PolarHBondContact O-NZ 3.4Å; N570-K574 PolarHBondContact O-N 3.14Å; P571-K574 WeakPolarHBondContact O-CB 2.96Å; P571-K574 PolarHBondContact O-N 2.91Å; K574-K578 VanDerWaalsContact O-CB 3.27Å; K574-K578 WeakPolarHBondContact O-CB 3.21Å; K574-K578 PolarHBondContact O-N 2.91Å
575M92.1Very high88.9Confident119 Ų119109.3 Ų109.359%0.58652%0.519SS*.Hα-helixtrans-65.5-45.7172.9-93.1-66.7-73.600113.3P571 R572 Q573 F577 K578 K579P571-M575 PolarHBondContact O-N 3.27Å; R572-M575 WeakPolarHBondContact O-CB 3.45Å; R572-M575 PolarHBondContact O-N 2.89Å; Q573-M575 VanDerWaalsContact C-N 3.3Å; Q573-M575 PolarHBondContact O-N 3.35Å; M575-F577 PolarHBondContact O-N 3.12Å; M575-K578 PolarHBondContact O-N 2.85Å; M575-K578 HydrophobicContact SD-CD 4.33Å; M575-K579 PolarHBondContact O-N 3.49Å
576H89.8Confident88.7Confident113 Ų113106.9 Ų106.952%0.52351%0.509SS..Hα-helixtrans-64.9-38.7177-69.7-65.5000112.5R572 Q573 K579 K580R572-H576 PolarHBondContact O-CD2 3.3Å; R572-H576 PolarHBondContact O-N 3.06Å; Q573-H576 PolarHBondContact O-N 3.1Å; H576-K579 PolarHBondContact O-N 2.71Å; H576-K580 PolarHBondContact O-N 3.36Å
577F92.2Very high88.5Confident78 Ų78109.2 Ų109.234%0.34252%0.519SS..Hα-helixtrans-63.1-46.1172.5177.4-100.7000111.5I562 M566 M569 Q573 M575 K579 K580 V581I562-F577 HydrophobicContact CG2-CZ 4.44Å; M566-F577 HydrophobicContact CE-CE1 4.37Å; M566-F577 HydrophobicContact CG-CE1 4.13Å; M566-F577 HydrophobicContact CG-CZ 4.49Å; M566-F577 HydrophobicContact SD-CD1 4.48Å; M566-F577 HydrophobicContact SD-CE1 3.68Å; M566-F577 HydrophobicContact SD-CZ 4.22Å; M569-F577 HydrophobicContact CE-CB 3.46Å; M569-F577 VanDerWaalsContact CE-CB 3.46Å; M569-F577 HydrophobicContact CE-CD1 4.38Å; M569-F577 HydrophobicContact CE-CD2 4.43Å; M569-F577 HydrophobicContact CE-CG 3.88Å; Q573-F577 WeakPolarHBondContact O-CB 3.44Å; Q573-F577 PolarHBondContact O-N 2.94Å; M575-F577 PolarHBondContact O-N 3.12Å; F577-K579 VanDerWaalsContact C-N 3.32Å; F577-K579 PolarHBondContact O-N 2.62Å; F577-K580 PolarHBondContact O-N 3.23Å; F577-V581 HydrophobicContact CD1-CG2 4.31Å; F577-V581 HydrophobicContact CE1-CG2 4.03Å; F577-V581 HydrophobicContact CE2-CG2 4.31Å; F577-V581 HydrophobicContact CZ-CG2 4.03Å; F577-V581 WeakPolarHBondContact O-CG2 3.27Å; F577-V581 PolarHBondContact O-N 3.29Å
578K91.2Very high87.6Confident143 Ų143104.7 Ų104.762%0.62250%0.502SS*.Hα-helixtrans-57.5-41.9173-174.4-177177-171.90111.7K574 M575 F582K574-K578 VanDerWaalsContact O-CB 3.27Å; K574-K578 WeakPolarHBondContact O-CB 3.21Å; K574-K578 PolarHBondContact O-N 2.91Å; M575-K578 PolarHBondContact O-N 2.85Å; M575-K578 HydrophobicContact SD-CD 4.33Å; K578-F582 WeakPolarHBondContact O-CB 3.5Å; K578-F582 PolarHBondContact O-N 3.13Å
579K91.1Very high85.9Confident143 Ų143100.8 Ų100.862%0.62248%0.482SS*.Hα-helixtrans-64.3-45.8174.4-171.4174.6-179.21780111.7M575 H576 F577 V581 F582 Q583M575-K579 PolarHBondContact O-N 3.49Å; H576-K579 PolarHBondContact O-N 2.71Å; F577-K579 VanDerWaalsContact C-N 3.32Å; F577-K579 PolarHBondContact O-N 2.62Å; K579-V581 PolarHBondContact O-N 3.47Å; K579-F582 PolarHBondContact O-N 3.42Å; K579-Q583 WeakPolarHBondContact O-CB 3.47Å; K579-Q583 PolarHBondContact O-N 3.32Å
580K90.2Very high84.2Confident163 Ų163104.3 Ų104.371%0.70950%0.502SS*.Hα-helixtrans-62.2-41.8176.3-75-169.6175.2-169.60112.5H576 F577 Q583 A584H576-K580 PolarHBondContact O-N 3.36Å; F577-K580 PolarHBondContact O-N 3.23Å; K580-Q583 PolarHBondContact O-N 2.94Å; K580-A584 WeakPolarHBondContact O-CB 3.36Å; K580-A584 PolarHBondContact O-N 3.18Å; K580-A584 VanDerWaalsContact O-N 3.08Å
581V89Confident82Confident67 Ų67103.4 Ų103.441%0.40650%0.497SS..Hα-helixtrans-62.8-43173.9170.80000110.8F577 K579 L585F577-V581 HydrophobicContact CD1-CG2 4.31Å; F577-V581 HydrophobicContact CE1-CG2 4.03Å; F577-V581 HydrophobicContact CE2-CG2 4.31Å; F577-V581 HydrophobicContact CZ-CG2 4.03Å; F577-V581 WeakPolarHBondContact O-CG2 3.27Å; F577-V581 PolarHBondContact O-N 3.29Å; K579-V581 PolarHBondContact O-N 3.47Å; V581-L585 HydrophobicContact CG1-CD1 4.01Å; V581-L585 WeakPolarHBondContact O-CB 3.15Å; V581-L585 WeakPolarHBondContact O-CG 3.5Å; V581-L585 PolarHBondContact O-N 2.81Å; V581-L585 VanDerWaalsContact O-N 3.08Å
582F83.9Confident79.8Confident123 Ų123102.8 Ų102.854%0.53950%0.499SS..Hα-helixtrans-65.3-43.6176.6-172.9-97.5000112.5K578 K579 L585 M586K578-F582 WeakPolarHBondContact O-CB 3.5Å; K578-F582 PolarHBondContact O-N 3.13Å; K579-F582 PolarHBondContact O-N 3.42Å; F582-L585 CarbonylContact O-C 3.51Å; F582-L585 WeakPolarHBondContact O-CA 3.36Å; F582-L585 WeakPolarHBondContact O-CB 3.48Å; F582-L585 PolarHBondContact O-N 3.34Å; F582-L585 VanDerWaalsContact O-N 3.08Å; F582-M586 HydrophobicContact CD1-CG 3.94Å; F582-M586 HydrophobicContact CE1-CG 3.54Å; F582-M586 HydrophobicContact CE1-SD 3.78Å; F582-M586 HydrophobicContact CE2-CG 4.44Å; F582-M586 HydrophobicContact CE2-SD 4.28Å; F582-M586 HydrophobicContact CZ-CG 3.82Å; F582-M586 HydrophobicContact CZ-SD 3.53Å; F582-M586 VanDerWaalsContact CZ-SD 3.53Å; F582-M586 WeakPolarHBondContact O-CG 3.02Å; F582-M586 PolarHBondContact O-N 3.05Å
583Q86.8Confident77.9Confident110 Ų11099.2 Ų99.251%0.51450%0.499SS..Hα-helixtrans-58.8-52.3178-166.866.631.500111.6K579 K580 L585 M586 E587K579-Q583 WeakPolarHBondContact O-CB 3.47Å; K579-Q583 PolarHBondContact O-N 3.32Å; K580-Q583 PolarHBondContact O-N 2.94Å; Q583-L585 PolarHBondContact O-N 2.99Å; Q583-M586 PolarHBondContact O-N 2.78Å; Q583-E587 WeakPolarHBondContact O-CB 3.39Å; Q583-E587 PolarHBondContact O-N 2.82Å
584A81.6Confident75.8Confident47 Ų4799.3 Ų99.339%0.38850%0.503SS..Hα-helixtrans-64.7-21.3177.200000112.9K580 T588K580-A584 WeakPolarHBondContact O-CB 3.36Å; K580-A584 PolarHBondContact O-N 3.18Å; K580-A584 VanDerWaalsContact O-N 3.08Å; A584-T588 PolarHBondContact O-OG1 2.75Å
585L80.1Confident73.5Confident52 Ų52101.7 Ų101.727%0.27251%0.514SS..Hα-helixtrans-78.1-34.8169.2-73.4171.5000112.3K4 V581 F582 Q583 F589K4-L585 HydrophobicContact CB-CD2 4.37Å; K4-L585 HydrophobicContact CD-CD2 3.76Å; K4-L585 WeakPolarHBondContact CE-O 3.37Å; K4-L585 HydrophobicContact CG-CD2 3.67Å; K4-L585 PolarHBondContact NZ-O 2.95Å; V581-L585 HydrophobicContact CG1-CD1 4.01Å; V581-L585 WeakPolarHBondContact O-CB 3.15Å; V581-L585 WeakPolarHBondContact O-CG 3.5Å; V581-L585 PolarHBondContact O-N 2.81Å; V581-L585 VanDerWaalsContact O-N 3.08Å; F582-L585 CarbonylContact O-C 3.51Å; F582-L585 WeakPolarHBondContact O-CA 3.36Å; F582-L585 WeakPolarHBondContact O-CB 3.48Å; F582-L585 PolarHBondContact O-N 3.34Å; F582-L585 VanDerWaalsContact O-N 3.08Å; Q583-L585 PolarHBondContact O-N 2.99Å; L585-F589 WeakPolarHBondContact O-CB 3.45Å; L585-F589 WeakPolarHBondContact O-CD2 3.16Å
586M79.7Confident71.2Confident62 Ų62101 Ų10131%0.30552%0.518SS..Hα-helixtrans-74.7-53.4178.1-64.1-88.134.100110.9F582 Q583 T588 F589 D590F582-M586 HydrophobicContact CD1-CG 3.94Å; F582-M586 HydrophobicContact CE1-CG 3.54Å; F582-M586 HydrophobicContact CE1-SD 3.78Å; F582-M586 HydrophobicContact CE2-CG 4.44Å; F582-M586 HydrophobicContact CE2-SD 4.28Å; F582-M586 HydrophobicContact CZ-CG 3.82Å; F582-M586 HydrophobicContact CZ-SD 3.53Å; F582-M586 VanDerWaalsContact CZ-SD 3.53Å; F582-M586 WeakPolarHBondContact O-CG 3.02Å; F582-M586 PolarHBondContact O-N 3.05Å; Q583-M586 PolarHBondContact O-N 2.78Å; M586-T588 VanDerWaalsContact C-N 3.32Å; M586-T588 PolarHBondContact O-N 3.12Å; M586-T588 VanDerWaalsContact O-N 3.14Å; M586-F589 CarbonylContact O-C 3.58Å; M586-F589 WeakPolarHBondContact O-CA 3.43Å; M586-F589 WeakPolarHBondContact O-CB 3.46Å; M586-F589 PolarHBondContact O-N 3.41Å; M586-D590 PolarHBondContact O-N 2.84Å
587E81.6Confident68.9Low129 Ų129101 Ų10160%0.60353%0.526SS*.Hα-helixtrans-40.1-55173.6-178.7-169.3176.400112.9Q583 F589Q583-E587 WeakPolarHBondContact O-CB 3.39Å; Q583-E587 PolarHBondContact O-N 2.82Å; E587-F589 VanDerWaalsContact C-N 3.26Å; E587-F589 PolarHBondContact O-N 3.03Å
588T70Confident66.8Low64 Ų64103.3 Ų103.339%0.39355%0.552SS.*Hα-helixtrans-87.320.7-178.558.60000114.2K4 R8 A584 M586K4-T588 VanDerWaalsContact CD-OG1 3.28Å; K4-T588 WeakPolarHBondContact CD-OG1 3.48Å; K4-T588 PolarHBondContact NZ-O 3.06Å; K4-T588 PolarHBondContact NZ-OG1 3.45Å; R8-T588 PolarHBondContact NH2-O 2.78Å; R8-T588 VanDerWaalsContact NH2-O 3.12Å; A584-T588 PolarHBondContact O-OG1 2.75Å; M586-T588 VanDerWaalsContact C-N 3.32Å; M586-T588 PolarHBondContact O-N 3.12Å; M586-T588 VanDerWaalsContact O-N 3.14Å
589F55.8Low64.4Low87 Ų87105.9 Ų105.938%0.38256%0.564SS.*Hα-helixtrans-125.6-36.3172.8-94.6-47.7000112.1K4 R8 L585 M586 E587 D591K4-F589 VanDerWaalsContact NZ-CG 3.26Å; R8-F589 HydrophobicContact CG-CZ 4.13Å; R8-F589 VanDerWaalsContact CZ-CE1 3.48Å; R8-F589 VanDerWaalsContact NE-CZ 3.3Å; L585-F589 WeakPolarHBondContact O-CB 3.45Å; L585-F589 WeakPolarHBondContact O-CD2 3.16Å; M586-F589 CarbonylContact O-C 3.58Å; M586-F589 WeakPolarHBondContact O-CA 3.43Å; M586-F589 WeakPolarHBondContact O-CB 3.46Å; M586-F589 PolarHBondContact O-N 3.41Å; E587-F589 VanDerWaalsContact C-N 3.26Å; E587-F589 PolarHBondContact O-N 3.03Å; F589-D591 VanDerWaalsContact C-N 3.33Å
590D55.9Low61.8Low113 Ų113106.6 Ų106.660%0.60457%0.569SS**Hα-helixtrans-77.6-21.1178.9-61.3-44.1000112.3M586 A592M586-D590 PolarHBondContact O-N 2.84Å; D590-A592 PolarHBondContact O-N 3.02Å
591D47.7Very low59.6Low92 Ų92106.1 Ų106.149%0.49257%0.574SS.*  trans-69.579164.6-160.5-13000110.7F589 T593 D594F589-D591 VanDerWaalsContact C-N 3.33Å; D591-T593 PolarHBondContact O-N 3.22Å; D591-T593 WeakPolarHBondContact OD1-CB 3.31Å; D591-T593 WeakPolarHBondContact OD1-CG2 3.37Å; D591-T593 PolarHBondContact OD1-OG1 3.2Å; D591-D594 PolarHBondContact O-N 2.75Å
592A46.8Very low57.3Low75 Ų75110.2 Ų110.262%0.6259%0.588SS**THydrogen-bonded Turntrans-66.52.3-176.600000114D590D590-A592 PolarHBondContact O-N 3.02Å
593T49.1Very low54.9Low118 Ų118112.3 Ų112.372%0.72460%0.599SS**THydrogen-bonded Turntrans-79-32.3177.168.20000113D591 F595D591-T593 PolarHBondContact O-N 3.22Å; D591-T593 WeakPolarHBondContact OD1-CB 3.31Å; D591-T593 WeakPolarHBondContact OD1-CG2 3.37Å; D591-T593 PolarHBondContact OD1-OG1 3.2Å; T593-F595 PolarHBondContact O-N 3.08Å
594D46.4Very low52.4Low108 Ų108115.6 Ų115.658%0.57861%0.612SS**SBendtrans-81.726-177.5-168.146.7000113.9D591 P596D591-D594 PolarHBondContact O-N 2.75Å; D594-P596 WeakPolarHBondContact O-CD 3.22Å
595F43.4Very low50Low130 Ų130119.4 Ų119.457%0.5763%0.626SS**  trans-95.8100.3168-77.9-82.5000110.1T593 T597T593-F595 PolarHBondContact O-N 3.08Å; F595-T597 PolarHBondContact O-N 3.49Å
596P43.8Very low48.4Very low104 Ų104124.2 Ų124.268%0.67565%0.65SS**  trans-60.1110.316625.3-33.1000108.2D594 S598D594-P596 WeakPolarHBondContact O-CD 3.22Å; P596-S598 PolarHBondContact O-N 2.85Å
597T40Very low46.4Very low112 Ų112128.2 Ų128.269%0.68767%0.673SS**  trans-64.2132.5-174.217.90000109.2F595 K599 E600F595-T597 PolarHBondContact O-N 3.49Å; T597-K599 PolarHBondContact O-N 3.21Å; T597-E600 PolarHBondContact O-N 3.39Å; T597-E600 VanDerWaalsContact O-N 3.1Å
598S48Very low44.3Very low128 Ų128126.8 Ų126.890%0.89567%0.673SS**THydrogen-bonded Turntrans-74.133.7-159.752.90000116.1P596P596-S598 PolarHBondContact O-N 2.85Å
599K41.5Very low42.9Very low197 Ų197128.8 Ų128.886%0.85769%0.687SS**THydrogen-bonded Turntrans-133-9.9170.5-79-170.9173.6-178.80114.3T597 L601T597-K599 PolarHBondContact O-N 3.21Å; K599-L601 PolarHBondContact O-N 2.85Å
600E35.9Very low42.3Very low158 Ų158128.1 Ų128.174%0.73869%0.693SS**  trans-73.8101.1168.3-171.6155.4-140.500109T597 Q602T597-E600 PolarHBondContact O-N 3.39Å; T597-E600 VanDerWaalsContact O-N 3.1Å; E600-Q602 PolarHBondContact O-N 3.49Å; E600-Q602 VanDerWaalsContact O-N 3.14Å
601L43.8Very low41.7Very low153 Ų153126.5 Ų126.580%0.80170%0.704SS**  trans-58.3113.7157.3-77.2166.4000106.5K599 H603K599-L601 PolarHBondContact O-N 2.85Å; L601-H603 PolarHBondContact O-N 2.89Å
602Q41.6Very low41.9Very low152 Ų152128.8 Ų128.871%0.7171%0.709SS**  trans-61.992.3166.4-77-172.4-15.800108.5E600 F604E600-Q602 PolarHBondContact O-N 3.49Å; E600-Q602 VanDerWaalsContact O-N 3.14Å; Q602-F604 VanDerWaalsContact C-N 3.35Å; Q602-F604 PolarHBondContact O-N 3.32Å
603H34.3Very low42.3Very low168 Ų168132.6 Ų132.678%0.77872%0.715SS**  trans-57.1106.3153.5-106.5-100.8000105.9L601 N605L601-H603 PolarHBondContact O-N 2.89Å; H603-N605 PolarHBondContact O-N 3.23Å
604F33.4Very low42.2Very low178 Ų178135 Ų13578%0.78172%0.717SS**  trans-54.3113.8165-81-90.7000106.9Q602 I606Q602-F604 VanDerWaalsContact C-N 3.35Å; Q602-F604 PolarHBondContact O-N 3.32Å; F604-I606 PolarHBondContact O-N 3.02Å
605N30.6Very low42.8Very low127 Ų127132.5 Ų132.568%0.67970%0.703SS**  trans-70.1108.9-176.2-143-11.6000106.8H603 N607 T608H603-N605 PolarHBondContact O-N 3.23Å; N605-N607 PolarHBondContact O-N 3.05Å; N605-T608 PolarHBondContact O-N 2.97Å
606I46.7Very low44.1Very low153 Ų153129.6 Ų129.679%0.78570%0.696SS**THydrogen-bonded Turntrans-63.6-12.1-166.3-62.8176.1000112.1F604F604-I606 PolarHBondContact O-N 3.02Å
607N37.6Very low45.3Very low146 Ų146130.2 Ų130.278%0.78169%0.694SS**THydrogen-bonded Turntrans-103.96.7-173-59.4-9.2000114.4N605N605-N607 PolarHBondContact O-N 3.05Å
608T37.9Very low46.7Very low99 Ų99128.7 Ų128.761%0.60769%0.686SS**SBendtrans-84.9125.9162.6-33.30000107.7N605 S610N605-T608 PolarHBondContact O-N 2.97Å; T608-S610 PolarHBondContact O-N 3.23Å
609P39.8Very low48Very low106 Ų106126.3 Ų126.369%0.68866%0.661SS**  trans-60.8115.6-173.922.9-33.1000110.9G611P609-G611 PolarHBondContact O-N 2.79Å
610S43.3Very low49.6Very low73 Ų73120 Ų12051%0.5164%0.636SS.*  trans-66.6127.9175.3-176.30000108.8T608 F612T608-S610 PolarHBondContact O-N 3.23Å; S610-F612 PolarHBondContact O-N 2.74Å; S610-F612 WeakPolarHBondContact OG-CD2 3.34Å
611G44.8Very low51.4Low80 Ų80119.7 Ų119.783%0.82563%0.628SS**THydrogen-bonded Turntrans-6938.9178.100000114.9P609P609-G611 PolarHBondContact O-N 2.79Å
612F50.5Low53.3Low139 Ų139117.2 Ų117.261%0.6162%0.615SS**THydrogen-bonded Turntrans-128.920.7-178-64.7-43.7000112.1S610 H614 I615S610-F612 PolarHBondContact O-N 2.74Å; S610-F612 WeakPolarHBondContact OG-CD2 3.34Å; F612-H614 PolarHBondContact O-N 2.73Å; F612-I615 HydrophobicContact CB-CD1 3.91Å; F612-I615 HydrophobicContact CB-CG1 3.98Å; F612-I615 HydrophobicContact CD1-CD1 3.27Å; F612-I615 HydrophobicContact CD1-CG1 3.88Å; F612-I615 HydrophobicContact CD2-CD1 4.47Å; F612-I615 HydrophobicContact CE1-CD1 3.81Å; F612-I615 HydrophobicContact CG-CD1 3.66Å; F612-I615 HydrophobicContact CG-CG1 4.22Å; F612-I615 PolarHBondContact O-N 2.73Å
613E55Low55.2Low156 Ų156113.7 Ų113.773%0.72960%0.603SS**THydrogen-bonded Turntrans-61.8-0.3174.6-58.4-171.9157.200114.1
614H48.4Very low57.7Low168 Ų168114 Ų11478%0.77860%0.598SS**THydrogen-bonded Turntrans-120.6-1.9176.6-59-15.5000113.8F612 T616F612-H614 PolarHBondContact O-N 2.73Å; H614-T616 PolarHBondContact O-N 3.14Å
615I58Low59.8Low56 Ų56110.8 Ų110.829%0.28759%0.585SS.*  trans-73.9111.2174-61.3-169.2000108.5F612 E619 L620F612-I615 HydrophobicContact CB-CD1 3.91Å; F612-I615 HydrophobicContact CB-CG1 3.98Å; F612-I615 HydrophobicContact CD1-CD1 3.27Å; F612-I615 HydrophobicContact CD1-CG1 3.88Å; F612-I615 HydrophobicContact CD2-CD1 4.47Å; F612-I615 HydrophobicContact CE1-CD1 3.81Å; F612-I615 HydrophobicContact CG-CD1 3.66Å; F612-I615 HydrophobicContact CG-CG1 4.22Å; F612-I615 PolarHBondContact O-N 2.73Å; I615-E619 HydrophobicContact CG2-CB 3.61Å; I615-L620 HydrophobicContact CG2-CD2 3.83Å; I615-L620 HydrophobicContact CG2-CG 3.78Å
616T70.9Confident62.5Low68 Ų68108.6 Ų108.642%0.41757%0.573SS.*  trans-75.9158.1179.567.20000112.2H614 P618 E619 L620H614-T616 PolarHBondContact O-N 3.14Å; T616-P618 VanDerWaalsContact C-CD 3.48Å; T616-P618 VanDerWaalsContact C-N 3.35Å; T616-P618 WeakPolarHBondContact OG1-CD 3.26Å; T616-P618 WeakPolarHBondContact OG1-CG 3.25Å; T616-E619 VanDerWaalsContact CB-OE1 3.3Å; T616-E619 WeakPolarHBondContact CB-OE1 3.33Å; T616-E619 WeakPolarHBondContact CG2-OE1 3.48Å; T616-E619 PolarHBondContact N-OE1 2.96Å; T616-E619 WeakPolarHBondContact O-CA 3.36Å; T616-E619 WeakPolarHBondContact O-CB 3.19Å; T616-E619 PolarHBondContact O-N 2.96Å; T616-E619 PolarHBondContact OG1-OE1 2.89Å; T616-L620 PolarHBondContact O-N 3.44Å
617D68.1Low64.3Low118 Ų118105.6 Ų105.663%0.63156%0.562SS**Hα-helixtrans-50-40.5174.9-94.6-31.9000115.3E619 L620 R621D617-E619 VanDerWaalsContact C-N 3.34Å; D617-L620 PolarHBondContact O-N 2.83Å; D617-R621 WeakPolarHBondContact O-CB 3.36Å; D617-R621 PolarHBondContact O-N 3.43Å
618P71.1Confident66.2Low79 Ų79102.4 Ų102.451%0.51355%0.551SS.*Hα-helixtrans-66.6-29.2172.624.2-32.7000114T616 R621 L622T616-P618 VanDerWaalsContact C-CD 3.48Å; T616-P618 VanDerWaalsContact C-N 3.35Å; T616-P618 WeakPolarHBondContact OG1-CD 3.26Å; T616-P618 WeakPolarHBondContact OG1-CG 3.25Å; P618-R621 WeakPolarHBondContact O-CB 3.41Å; P618-R621 PolarHBondContact O-N 3.19Å; P618-L622 WeakPolarHBondContact O-CB 3.37Å; P618-L622 PolarHBondContact O-N 3.08Å
619E75.4Confident67.7Low79 Ų79103.1 Ų103.137%0.36955%0.549SS..Hα-helixtrans-71.5-41.5171.6-67.5158.7-110.900111.6I615 T616 D617 R621 L622 V623I615-E619 HydrophobicContact CG2-CB 3.61Å; T616-E619 VanDerWaalsContact CB-OE1 3.3Å; T616-E619 WeakPolarHBondContact CB-OE1 3.33Å; T616-E619 WeakPolarHBondContact CG2-OE1 3.48Å; T616-E619 PolarHBondContact N-OE1 2.96Å; T616-E619 WeakPolarHBondContact O-CA 3.36Å; T616-E619 WeakPolarHBondContact O-CB 3.19Å; T616-E619 PolarHBondContact O-N 2.96Å; T616-E619 PolarHBondContact OG1-OE1 2.89Å; D617-E619 VanDerWaalsContact C-N 3.34Å; E619-R621 PolarHBondContact O-N 2.97Å; E619-L622 WeakPolarHBondContact O-CB 3.47Å; E619-L622 PolarHBondContact O-N 2.89Å; E619-L622 VanDerWaalsContact O-N 3.13Å; E619-V623 WeakPolarHBondContact O-CG2 3.43Å; E619-V623 PolarHBondContact O-N 3.08Å
620L73.9Confident69.6Low63 Ų63102.6 Ų102.633%0.3354%0.543SS..Hα-helixtrans-60.4-34.4171.1-72.9179.5000111.8I615 T616 D617 R624I615-L620 HydrophobicContact CG2-CD2 3.83Å; I615-L620 HydrophobicContact CG2-CG 3.78Å; T616-L620 PolarHBondContact O-N 3.44Å; D617-L620 PolarHBondContact O-N 2.83Å; L620-R624 WeakPolarHBondContact O-CB 3.38Å; L620-R624 VanDerWaalsContact O-CD 3.31Å; L620-R624 WeakPolarHBondContact O-CD 3.5Å; L620-R624 WeakPolarHBondContact O-CG 3.28Å; L620-R624 PolarHBondContact O-N 3.06Å; L620-R624 VanDerWaalsContact O-N 3.11Å
621R73.8Confident70.8Confident153 Ų153102.3 Ų102.358%0.57754%0.541SS*.Hα-helixtrans-65.7-48.4171.1-171.6-179.2-64103.43.7111.2D617 P618 E619 V623 R624 E625D617-R621 WeakPolarHBondContact O-CB 3.36Å; D617-R621 PolarHBondContact O-N 3.43Å; P618-R621 WeakPolarHBondContact O-CB 3.41Å; P618-R621 PolarHBondContact O-N 3.19Å; E619-R621 PolarHBondContact O-N 2.97Å; R621-V623 VanDerWaalsContact C-N 3.35Å; R621-V623 PolarHBondContact O-N 2.8Å; R621-R624 PolarHBondContact O-N 3.24Å; R621-E625 WeakPolarHBondContact O-CB 3.46Å; R621-E625 PolarHBondContact O-N 3.47Å
622L83.6Confident71.5Confident101 Ų101101.2 Ų101.253%0.52952%0.524SS..Hα-helixtrans-58.8-42.7177.8-168.779.2000112P618 E619 E625 L626P618-L622 WeakPolarHBondContact O-CB 3.37Å; P618-L622 PolarHBondContact O-N 3.08Å; E619-L622 WeakPolarHBondContact O-CB 3.47Å; E619-L622 PolarHBondContact O-N 2.89Å; E619-L622 VanDerWaalsContact O-N 3.13Å; L622-E625 PolarHBondContact O-N 3.23Å; L622-L626 HydrophobicContact CD2-CD1 4.46Å; L622-L626 HydrophobicContact CG-CD1 4.15Å; L622-L626 WeakPolarHBondContact O-CB 3.42Å; L622-L626 WeakPolarHBondContact O-CG 3.4Å; L622-L626 PolarHBondContact O-N 2.96Å
623V82.3Confident71.8Confident77 Ų7797.1 Ų97.147%0.46752%0.516SS..Hα-helixtrans-64.9-42.7176.3170.70000111.1E619 R621 E625 L626 V627E619-V623 WeakPolarHBondContact O-CG2 3.43Å; E619-V623 PolarHBondContact O-N 3.08Å; R621-V623 VanDerWaalsContact C-N 3.35Å; R621-V623 PolarHBondContact O-N 2.8Å; V623-E625 VanDerWaalsContact C-N 3.33Å; V623-E625 PolarHBondContact O-N 3.39Å; V623-L626 PolarHBondContact O-N 2.59Å; V623-V627 WeakPolarHBondContact O-CB 3.18Å; V623-V627 VanDerWaalsContact O-CG2 3.28Å; V623-V627 WeakPolarHBondContact O-CG2 3.43Å; V623-V627 PolarHBondContact O-N 2.86Å
624R85.4Confident72Confident174 Ų17497.5 Ų97.566%0.65752%0.515SS*.Hα-helixtrans-64.4-38.1174.9-70.7165.3-170.4173.86.8111.8L620 R621 S628L620-R624 WeakPolarHBondContact O-CB 3.38Å; L620-R624 VanDerWaalsContact O-CD 3.31Å; L620-R624 WeakPolarHBondContact O-CD 3.5Å; L620-R624 WeakPolarHBondContact O-CG 3.28Å; L620-R624 PolarHBondContact O-N 3.06Å; L620-R624 VanDerWaalsContact O-N 3.11Å; R621-R624 PolarHBondContact O-N 3.24Å; R624-S628 WeakPolarHBondContact O-CB 3.35Å; R624-S628 PolarHBondContact O-N 3.42Å
625E79.4Confident72.1Confident112 Ų11294.8 Ų94.852%0.52351%0.511SS..Hα-helixtrans-69.5-44.2177.3-172.4168.1-179.300111.9R621 L622 V623 S628 M629R621-E625 WeakPolarHBondContact O-CB 3.46Å; R621-E625 PolarHBondContact O-N 3.47Å; L622-E625 PolarHBondContact O-N 3.23Å; V623-E625 VanDerWaalsContact C-N 3.33Å; V623-E625 PolarHBondContact O-N 3.39Å; E625-S628 CarbonylContact O-C 3.58Å; E625-S628 WeakPolarHBondContact O-CA 3.41Å; E625-S628 WeakPolarHBondContact O-CB 3.46Å; E625-S628 PolarHBondContact O-N 2.99Å; E625-S628 VanDerWaalsContact O-N 3.13Å; E625-M629 WeakPolarHBondContact O-CG 3.35Å; E625-M629 PolarHBondContact O-N 3.06Å
626L87.1Confident71.8Confident81 Ų8197.3 Ų97.342%0.42453%0.529SS..Hα-helixtrans-59.4-45.5171.8-81.9163.8000111.9L622 V623 S628 M629 V630L622-L626 HydrophobicContact CD2-CD1 4.46Å; L622-L626 HydrophobicContact CG-CD1 4.15Å; L622-L626 WeakPolarHBondContact O-CB 3.42Å; L622-L626 WeakPolarHBondContact O-CG 3.4Å; L622-L626 PolarHBondContact O-N 2.96Å; V623-L626 PolarHBondContact O-N 2.59Å; L626-S628 VanDerWaalsContact C-N 3.28Å; L626-S628 PolarHBondContact O-N 2.92Å; L626-M629 HydrophobicContact CD2-CE 3.96Å; L626-M629 PolarHBondContact O-N 3.05Å; L626-V630 WeakPolarHBondContact O-CB 3.43Å; L626-V630 VanDerWaalsContact O-CG2 3.29Å; L626-V630 WeakPolarHBondContact O-CG2 3.4Å; L626-V630 PolarHBondContact O-N 2.98Å
627V82.9Confident70.6Confident90 Ų90101.4 Ų101.455%0.54555%0.547SS..Hα-helixtrans-61.6-37.6174.4168.60000111.2V623 S631V623-V627 WeakPolarHBondContact O-CB 3.18Å; V623-V627 VanDerWaalsContact O-CG2 3.28Å; V623-V627 WeakPolarHBondContact O-CG2 3.43Å; V623-V627 PolarHBondContact O-N 2.86Å; V627-S631 VanDerWaalsContact O-CB 3.29Å; V627-S631 WeakPolarHBondContact O-CB 3.32Å; V627-S631 PolarHBondContact O-N 3.09Å; V627-S631 PolarHBondContact O-OG 3.39Å
628S77.8Confident69.3Low79 Ų79103 Ų10355%0.55255%0.554SS**Hα-helixtrans-66.2-47.5174.9-162.40000112R624 E625 L626 S631 A632R624-S628 WeakPolarHBondContact O-CB 3.35Å; R624-S628 PolarHBondContact O-N 3.42Å; E625-S628 CarbonylContact O-C 3.58Å; E625-S628 WeakPolarHBondContact O-CA 3.41Å; E625-S628 WeakPolarHBondContact O-CB 3.46Å; E625-S628 PolarHBondContact O-N 2.99Å; E625-S628 VanDerWaalsContact O-N 3.13Å; L626-S628 VanDerWaalsContact C-N 3.28Å; L626-S628 PolarHBondContact O-N 2.92Å; S628-S631 WeakPolarHBondContact O-CB 3.38Å; S628-S631 PolarHBondContact O-N 3.33Å; S628-A632 PolarHBondContact O-N 3.31Å
629M70.4Confident67.7Low113 Ų113109.8 Ų109.856%0.55757%0.57SS**Hα-helixtrans-61.9-44.5176-71.2-154.9-57.600112.6E625 L626 S631 A632 A633E625-M629 WeakPolarHBondContact O-CG 3.35Å; E625-M629 PolarHBondContact O-N 3.06Å; L626-M629 HydrophobicContact CD2-CE 3.96Å; L626-M629 PolarHBondContact O-N 3.05Å; M629-S631 VanDerWaalsContact C-N 3.29Å; M629-S631 PolarHBondContact O-N 3.43Å; M629-A632 PolarHBondContact O-N 2.93Å; M629-A633 WeakPolarHBondContact O-CB 3.46Å; M629-A633 PolarHBondContact O-N 2.62Å
630V78.9Confident65.8Low95 Ų95111.3 Ų111.358%0.57659%0.586SS**Hα-helixtrans-64.1-36.9176.1169.90000110.6L626 K634L626-V630 WeakPolarHBondContact O-CB 3.43Å; L626-V630 VanDerWaalsContact O-CG2 3.29Å; L626-V630 WeakPolarHBondContact O-CG2 3.4Å; L626-V630 PolarHBondContact O-N 2.98Å; V630-K634 VanDerWaalsContact O-CB 3.27Å; V630-K634 WeakPolarHBondContact O-CB 3.45Å; V630-K634 PolarHBondContact O-N 3.19Å
631S70Confident64.3Low67 Ų67115 Ų11547%0.46961%0.614SS.*Hα-helixtrans-64.2-44.5173.7-60.90000111.8V627 S628 M629 K634 V635V627-S631 VanDerWaalsContact O-CB 3.29Å; V627-S631 WeakPolarHBondContact O-CB 3.32Å; V627-S631 PolarHBondContact O-N 3.09Å; V627-S631 PolarHBondContact O-OG 3.39Å; S628-S631 WeakPolarHBondContact O-CB 3.38Å; S628-S631 PolarHBondContact O-N 3.33Å; M629-S631 VanDerWaalsContact C-N 3.29Å; M629-S631 PolarHBondContact O-N 3.43Å; S631-K634 PolarHBondContact O-N 3.23Å; S631-V635 PolarHBondContact O-N 3.14Å
632A58.4Low62.6Low57 Ų57110.7 Ų110.747%0.47162%0.617SS.*Hα-helixtrans-64.9-46176.300000112.1S628 M629 K634 V635 T636S628-A632 PolarHBondContact O-N 3.31Å; M629-A632 PolarHBondContact O-N 2.93Å; A632-K634 VanDerWaalsContact C-N 3.27Å; A632-K634 PolarHBondContact O-N 2.87Å; A632-V635 WeakPolarHBondContact O-CB 3.37Å; A632-V635 PolarHBondContact O-N 3.07Å; A632-T636 PolarHBondContact O-N 3.18Å; A632-T636 VanDerWaalsContact O-N 3.14Å
633A57.6Low60Low53 Ų53115.5 Ų115.544%0.43864%0.637SS.*Hα-helixtrans-58.7-39.3176.700000111.8M629 V635 T636 L637M629-A633 WeakPolarHBondContact O-CB 3.46Å; M629-A633 PolarHBondContact O-N 2.62Å; A633-V635 PolarHBondContact O-N 2.58Å; A633-T636 WeakPolarHBondContact CA-OG1 3.35Å; A633-T636 PolarHBondContact O-N 3.04Å; A633-T636 PolarHBondContact O-OG1 2.91Å; A633-L637 PolarHBondContact O-N 3.08Å
634K57.9Low57.9Low164 Ų164116.8 Ų116.871%0.71366%0.656SS**Hα-helixtrans-66.3-21.5176.4-164.3170.4-175.2176.10113.7V630 S631 A632V630-K634 VanDerWaalsContact O-CB 3.27Å; V630-K634 WeakPolarHBondContact O-CB 3.45Å; V630-K634 PolarHBondContact O-N 3.19Å; S631-K634 PolarHBondContact O-N 3.23Å; A632-K634 VanDerWaalsContact C-N 3.27Å; A632-K634 PolarHBondContact O-N 2.87Å
635V51.4Low55.4Low112 Ų112115.2 Ų115.268%0.67967%0.666SS**Hα-helixtrans-80.3-35.7169.1176.30000111.4S631 A632 A633 L637S631-V635 PolarHBondContact O-N 3.14Å; A632-V635 WeakPolarHBondContact O-CB 3.37Å; A632-V635 PolarHBondContact O-N 3.07Å; A633-V635 PolarHBondContact O-N 2.58Å; V635-L637 VanDerWaalsContact C-N 3.26Å; V635-L637 PolarHBondContact O-N 2.99Å
636T52Low53.3Low109 Ų109114.4 Ų114.467%0.66968%0.678SS**Hα-helixtrans-68.8-18.7179.759.90000114.8A632 A633 I638A632-T636 PolarHBondContact O-N 3.18Å; A632-T636 VanDerWaalsContact O-N 3.14Å; A633-T636 WeakPolarHBondContact CA-OG1 3.35Å; A633-T636 PolarHBondContact O-N 3.04Å; A633-T636 PolarHBondContact O-OG1 2.91Å; T636-I638 PolarHBondContact O-N 2.73Å
637L44.1Very low50.7Low153 Ų153115.8 Ų115.880%0.80170%0.695SS**THydrogen-bonded Turntrans-77.3-1.1-177.2-152.272.9000114.5A633 V635A633-L637 PolarHBondContact O-N 3.08Å; V635-L637 VanDerWaalsContact C-N 3.26Å; V635-L637 PolarHBondContact O-N 2.99Å
638I42.8Very low48.3Very low153 Ų153123.1 Ų123.179%0.78571%0.713SS**SBendtrans-102.745.4-178.5-37.8-177.2000111.5T636T636-I638 PolarHBondContact O-N 2.73Å
639R36.2Very low46.1Very low221 Ų221124.4 Ų124.483%0.83472%0.721SS**SBendtrans-137.3118.1166.9-169.2174.4-177.6116.10.4109.8
640P35.9Very low44.3Very low111 Ų111122.5 Ų122.572%0.72173%0.731SS**  trans-69.6154178.329.7-34.8000111.3G642P640-G642 PolarHBondContact O-N 3.45Å
641P41.9Very low42.1Very low139 Ų139125.7 Ų125.790%0.90374%0.743SS**  trans-72.9124.5178.429.9-33.7000110.9
642G37.6Very low40.2Very low63 Ų63126.5 Ų126.565%0.64975%0.754SS**  trans-171.9125.6175.200000109.9P640P640-G642 PolarHBondContact O-N 3.45Å
643E30.6Very low39.3Very low202 Ų202129.8 Ų129.894%0.94477%0.771SS**  trans55.8104.2176.5-60.1-173.7156.100116.7
644A38.1Very low37.8Very low105 Ų105136.6 Ų136.687%0.86879%0.793SS**  trans-97117.6169.200000111
645T31.9Very low36.7Very low140 Ų140134.3 Ų134.386%0.85979%0.793SS**  trans-135.1117.6156.645.80000110.6
646A35.6Very low35.9Very low95 Ų95135.8 Ų135.879%0.78579%0.792SS**  trans-4.7133.8168.100000118.1
647S32.8Very low34.8Very low111 Ų111141.4 Ų141.478%0.77680%0.801SS**  176.1148.955.844.40000114.8
648R33.1Very low34.1Very low244 Ų244137.6 Ų137.692%0.92180%0.799SS**  trans50.6134.7144.1-92.5-175.8167.4-169.4-4.7124.1
649S31.3Very low34Very low105 Ų105135.9 Ų135.973%0.73480%0.798SS**  trans82.3110.5140.2-144.50000118.7
650G31.5Very low33.8Very low74 Ų74136.8 Ų136.876%0.76380%0.802SS**  trans-94.2152.1154.700000111
651I33.6Very low33.6Very low161 Ų161137.2 Ų137.283%0.82680%0.802SS**  trans-137144.8166.4-61.5-177.7000107.1
652A30.9Very low33Very low84 Ų84136.9 Ų136.969%0.69479%0.793SS**PPolyproline II helixtrans-71.3160-179.100000112.4
653P38Very low32.7Very low127 Ų127142 Ų14283%0.82580%0.802SS**PPolyproline II helixtrans-76.8126.7178.730.7-33.9000111.9
654E26.4Very low32.8Very low195 Ų195138.4 Ų138.491%0.91179%0.794SS**PPolyproline II helixtrans-94.1159166.8-164.1166168.800111.3
655V35Very low32.5Very low117 Ų117142.7 Ų142.771%0.70979%0.787SS**  trans-114.3158.9-161.7162.20000111.6
656Q33.8Very low32.6Very low142 Ų142142.7 Ų142.766%0.66478%0.778SS**  trans92.1135.6160.3-94.1170.466.900121.7
657R30.3Very low32.6Very low227 Ų227144 Ų14486%0.85778%0.776SS**  trans65.1129.5143.4-75.5171.6162.3141.3-12.1121.2
658G29.1Very low32.8Very low74 Ų74145.4 Ų145.476%0.76377%0.773SS**  trans146.4125.8141.700000116
659P40.8Very low32.8Very low116 Ų116142.8 Ų142.875%0.75377%0.771SS**  trans-124.2142.6-173.139.7-27.1000117.3
660R32Very low33Very low241 Ų241148.6 Ų148.691%0.90978%0.777SS**  trans70.5167.5164.9-50.9169.7170.8176.7-4.3114.8
661T31.1Very low33.1Very low119 Ų119151.6 Ų151.673%0.7378%0.781SS**  cis-142.5166.213.453.80000113.8
662N29.4Very low32.8Very low132 Ų132154.8 Ų154.871%0.70678%0.784SS**  trans2137.4155.3-53.8-38.6000122.1
663M31.2Very low33.2Very low170 Ų170159.3 Ų159.384%0.83779%0.788SS**  -176.8176.695.1-94.9-54.9171.700113.7
664T32.3Very low33.2Very low127 Ų127159.6 Ų159.678%0.77979%0.79SS**  trans-144.4170.4-172520000114.5
665R32.1Very low33.6Very low195 Ų195152.8 Ų152.874%0.73677%0.772SS**  trans102.9114.1170.2-68.3-175.9143.9-94.7-4.2116.8
666Q34.9Very low33.5Very low141 Ų141154.3 Ų154.366%0.65978%0.782SS**  82.4160.597.7-65.8-170.79.100113.1
667V34.1Very low33.3Very low123 Ų123150.4 Ų150.475%0.74578%0.779SS**  cis-142159.925.7177.20000113.3
668I38.5Very low33.2Very low139 Ų139147.6 Ų147.671%0.71378%0.776SS**  trans-47.6150172.2-54.6147.4000116.4
669Q31.7Very low33.1Very low189 Ų189150.7 Ų150.788%0.88377%0.77SS**  trans-145.7156.3134.3-149.8164.914.600112.9
670R37.1Very low32.5Very low227 Ų227151.6 Ų151.686%0.85777%0.768SS**  trans-123.6138.4178.3-59.9176.5180176.7-0.4110.8
671V32.3Very low32.8Very low138 Ų138144.7 Ų144.784%0.83676%0.762SS**  trans-144.7104.1153.8-176.60000105.8
672Y26.8Very low32.8Very low227 Ų227144.6 Ų144.689%0.8976%0.764SS**  80.5139.786.8-137.8-89.4000114.2
673K40.5Very low32.8Very low179 Ų179144.8 Ų144.878%0.77877%0.77SS**  trans-79.2166.3-178.2-60.7-174.7177.1-177.90110.9
674P36.8Very low32.9Very low134 Ų134142 Ų14287%0.8777%0.767SS**  -115.4168.580.2-7.427.3000114.9
675G35.2Very low33.1Very low52 Ų52141.6 Ų141.654%0.53677%0.766SS.*  trans-141-158.5160.300000107.7
676T33.3Very low33.1Very low149 Ų149137.2 Ų137.291%0.91477%0.772SS**  trans72.4134-171.7-410000111.5
677G29.9Very low32.6Very low59 Ų59134 Ų13461%0.60878%0.776SS**  cis149.1167.5-1.400000109.8
678Q28Very low32.5Very low169 Ų169131.6 Ų131.679%0.7978%0.777SS**  trans63.8157.9176.4-87.8175.5-59.800114.4
679E26.2Very low32.4Very low138 Ų138132.6 Ų132.665%0.64578%0.783SS**  cis-157.7-174.9-21.2-147169.4-114.700108.9
680I29Very low32.5Very low136 Ų136128.9 Ų128.970%0.69777%0.769SS**  trans60.5116.7157.6-60.6154.1000117.3
681A38.6Very low32.8Very low96 Ų96125 Ų12579%0.79376%0.758SS**  trans-96.2136.1158.500000110.8
682P30.4Very low33.1Very low117 Ų117128.7 Ų128.776%0.7676%0.757SS**  trans-120.9138.8155.135-24.1000111.4
683T30.4Very low33.4Very low136 Ų136123.6 Ų123.683%0.83475%0.745SS**  trans-102.7125.5-175.450.40000113.7
684S33.2Very low33.1Very low112 Ų112123.5 Ų123.578%0.78375%0.745SS**  trans68.5137.1159.8-154.10000119.4
685P36.8Very low32.9Very low118 Ų118128.2 Ų128.277%0.76675%0.745SS**  trans-82.4-178.4154.937.1-34.1000112
686A32Very low32.8Very low102 Ų102133.6 Ų133.684%0.84376%0.76SS**  trans-42.6159.9178.500000117
687G24.7Very low32.6Very low74 Ų74131 Ų13176%0.76375%0.754SS**  cis-132.5179.119.400000117.9
688G31.6Very low32.9Very low73 Ų73132.7 Ų132.775%0.75376%0.762SS**  trans-77.5-174.717600000113.5
689L36.4Very low33.1Very low160 Ų160133.5 Ų133.584%0.83877%0.768SS**  cis-136.8151.322.7-75.6164.3000113.9
690D32.5Very low33.3Very low110 Ų110130.4 Ų130.459%0.58877%0.773SS**  trans70.4123.8136.5-82.221.6000124
691K43.4Very low33.3Very low145 Ų145127.7 Ų127.763%0.6378%0.779SS**  trans95.5100.8137.6-65.6156.8-177109.50120.3
692R38.5Very low33.3Very low216 Ų216132 Ų13282%0.81578%0.78SS**  75.9152.7129.6-59.3170.8-172.2178.40.8118.2
693L34.7Very low33.8Very low121 Ų121132.1 Ų132.163%0.63478%0.781SS**  cis-170.4154.6-26.6-110.5172.3000107.9
694F34Very low33.9Very low177 Ų177132 Ų13278%0.77678%0.775SS**  trans63.8149.1172.8-46.2-61.2000115.8
695R32.3Very low33.9Very low233 Ų233129.9 Ų129.988%0.87977%0.771SS**  cis67.787.53.7-163.4-162.7-82.4-155-2.1118.8
696L33.5Very low33.6Very low164 Ų164127.3 Ų127.386%0.85975%0.751SS**  trans-146.4128136.4-80.9-174.7000106.4
697A29.1Very low33.6Very low95 Ų95129.9 Ų129.979%0.78575%0.75SS**  81.3143.173.700000113.2
698A36.4Very low33.8Very low94 Ų94130.5 Ų130.578%0.77774%0.742SS**  trans-97.6136.4-169.800000113
699M30.6Very low33.5Very low186 Ų186131 Ų13192%0.91674%0.739SS**  trans-145.2156153.6-67.9-58.4-92.200106.1
700G30.5Very low33.1Very low73 Ų73129 Ų12975%0.75373%0.734SS**  cis111.27815.600000109.8
701G29.8Very low32.8Very low79 Ų79131.5 Ų131.581%0.81474%0.742SS**  trans-175.7102.8-177.400000115.1
702K39.1Very low32.1Very low186 Ų186131 Ų13181%0.80974%0.742SS**  trans-101.1141.1144.4-67.8-177.6178.1-177.90106.3
703P41.2Very low31.7Very low121 Ų121126.1 Ų126.179%0.78673%0.731SS**  -120.6148.196.5-3.624.8000110.8
704N30.9Very low31.4Very low132 Ų132126.4 Ų126.471%0.70673%0.732SS**  61.5102.556.7-66.81.4000113.2
705G33.6Very low31.3Very low68 Ų68126.9 Ų126.970%0.70173%0.729SS**  trans-163.2126.317000000107.9
706N30.1Very low31.2Very low64 Ų64123.5 Ų123.534%0.34272%0.72SS.*  trans-152.5123.6-156.5-73.4-32.8000111.1S755 F756N706-S755 WeakPolarHBondContact OD1-CB 3.37Å; N706-S755 PolarHBondContact OD1-OG 3.04Å; N706-F756 HydrophobicContact CB-CB 4.29Å; N706-F756 WeakPolarHBondContact ND2-CD1 3.34Å; N706-F756 WeakPolarHBondContact ND2-CG 3.3Å
707L32.3Very low31.1Very low157 Ų157121.7 Ų121.782%0.82271%0.712SS**  trans-157146.2158.9-83-170.1000111.5N754 S755L707-N754 CarbonylContact C-O 3.49Å; L707-N754 PolarHBondContact N-O 2.93Å; L707-N754 CarbonylContact O-C 3.1Å; L707-S755 PolarHBondContact O-N 3.26Å
708S28.8Very low31.1Very low86 Ų86121.2 Ų121.260%0.60170%0.703SS**  trans-128.8162.3-178.9-169.60000110.8
709A26.4Very low31Very low84 Ų84122.8 Ų122.869%0.69470%0.702SS**  trans68.9163.2165.300000115
710T26.6Very low30.9Very low117 Ų117120.4 Ų120.472%0.71869%0.693SS**  cis-165.5167.7-11.250000109.5
711Q27.5Very low30.8Very low163 Ų163120.9 Ų120.976%0.76269%0.685SS**  trans62.5174.4155.7-76.7179.9-68.400116.8
712E28.4Very low31Very low135 Ų135123.7 Ų123.763%0.63168%0.681SS**  cis-155.7160-49.5-113.1-175.7119.400108.4
713I29.2Very low30.8Very low114 Ų114124 Ų12459%0.58569%0.686SS**  trans23.4121.9150.3-41.5165.5000119.2
714L30.4Very low30.1Very low126 Ų126123 Ų12366%0.6668%0.681SS**  179133.7118.1-107.490.2000108.2
715R30.5Very low30.2Very low188 Ų188123.5 Ų123.571%0.70969%0.688SS**  53.5136.684.1-56.1-176.3-130.61454.4112.5
716K31.1Very low30.1Very low161 Ų161125.6 Ų125.670%0.769%0.687SS**  cis-162152.312-137.1169.7152.4-87.20107.1
717D31.5Very low30Very low127 Ų127132.5 Ų132.568%0.67971%0.714SS**  160.4177.987-88.9-43.8000106.9
718S28.9Very low29.8Very low85 Ų85130.9 Ų130.959%0.59471%0.711SS**  cis170.8107.2-41.1175.30000109.6
719V34.7Very low29.7Very low126 Ų126131.4 Ų131.476%0.76472%0.721SS**  trans69.9145157.2-178.30000114
720D28.1Very low29.9Very low137 Ų137133.7 Ų133.773%0.73372%0.721SS**  cis-158.5167.637.7-145-35.4000115.4
721S28.6Very low30.1Very low82 Ų82136.9 Ų136.957%0.57373%0.727SS**  trans51.9116.2144.3-78.60000125.4
722N32.8Very low30.2Very low138 Ų138133.4 Ų133.474%0.73873%0.727SS**  38125.4118.1-58.8-62.9000121.1
723H34.5Very low30.8Very low194 Ų194132 Ų13290%0.89873%0.73SS**  -165.8153.8106.8-111.3-78.4000112.4
724S27.6Very low30.8Very low100 Ų100133.6 Ų133.670%0.69974%0.744SS**  trans-129.4139.7174.8172.90000110.5
725V32Very low30.8Very low141 Ų141131.4 Ų131.486%0.85575%0.753SS**  trans-146.4136.1159179.30000109.3
726V31.3Very low30.6Very low112 Ų112128.1 Ų128.168%0.67976%0.759SS**  trans-96.4149.7176.8172.20000110.9
727K28.6Very low31.4Very low209 Ų209125.3 Ų125.391%0.90976%0.757SS**  trans-154.9148.3147-116.2163.7-172177.20113.3
728V28.8Very low31.5Very low123 Ų123129.2 Ų129.275%0.74577%0.768SS**  trans-118142.7-176173.70000109.2
729A27.1Very low31.6Very low98 Ų98128.7 Ų128.781%0.8178%0.775SS**  trans-155.6152.916100000110.3
730N29.7Very low31.5Very low131 Ų131127.7 Ų127.770%0.70178%0.781SS**  trans-100.7175-171.7-75.7-24.9000113.8
731H30.9Very low31.6Very low184 Ų184125.5 Ų125.585%0.85278%0.781SS**  trans96.5136158-53-73.7000118.9
732A28.6Very low31.7Very low91 Ų91128.5 Ų128.575%0.75280%0.796SS**  trans-95.9-168.1169.100000108.8
733P42.8Very low31.7Very low106 Ų106128.6 Ų128.669%0.68880%0.801SS**  cis-138.4-169.71.535.6-12.6000115.4
734T28.5Very low31.4Very low146 Ų146123.6 Ų123.690%0.89679%0.793SS**  trans72149.4165.871.80000118.4
735G29.6Very low31.6Very low81 Ų81122.6 Ų122.684%0.83579%0.791SS**  trans135.597.316500000116.8
736S27Very low31.5Very low119 Ų119123.3 Ų123.383%0.83279%0.789SS**  trans-106.9156.5154.4-171.20000106.7
737P47.6Very low31.4Very low101 Ų101129.1 Ų129.166%0.65680%0.798SS**  cis-142.6-168.82240.6-19.4000116.7
738K34.3Very low32.3Very low210 Ų210124.2 Ų124.291%0.91379%0.788SS**  trans75.6146.7175-51.2167.2-177.6173.70114.4
739G31Very low32.4Very low73 Ų73127.7 Ų127.775%0.75380%0.796SS**  cis165.3166.8-8.100000112.9
740A32Very low32.5Very low106 Ų106126.5 Ų126.588%0.87679%0.793SS**  trans85.8115.9170.200000121.2
741A30.8Very low32.9Very low90 Ų90125.9 Ų125.974%0.74480%0.799SS**  75.8102.2126.500000124.5
742V29.8Very low33Very low145 Ų145125 Ų12588%0.87980%0.8SS**  64.9141.1127.1-174.80000120.9
743V32.8Very low33.7Very low140 Ų140127.6 Ų127.685%0.84880%0.8SS**  trans-123.2158.2-173.1175.60000111.7
744A29.7Very low33.4Very low89 Ų89127.5 Ų127.574%0.73679%0.793SS**  trans-93.1-172.7179.600000112.7
745A31.2Very low33.7Very low80 Ų80121.3 Ų121.366%0.66176%0.756SS**  cis-150.1167.111.900000109.7
746I29.5Very low33.9Very low156 Ų156123.3 Ų123.380%0.874%0.742SS**  48.6121.563.5-30.4177000111.6
747R28.8Very low34.2Very low234 Ų234126.5 Ų126.588%0.88374%0.741SS**  cis-155.8165.236.9-160.4165.8-175.9172.42.8113.1
748P47.5Very low33.4Very low106 Ų106124.9 Ų124.969%0.68874%0.742SS**  trans-125.7175.7-177.944.7-33.8000117.1
749Q31.6Very low33.1Very low196 Ų196124.7 Ų124.792%0.91675%0.745SS**  trans68.8151.4151.1-72.9-78.15.300121.8
750G29Very low33Very low73 Ų73124.2 Ų124.275%0.75374%0.74SS**  trans150.1124.2159.600000118.3
751S38.5Very low32.9Very low117 Ų117127.5 Ų127.582%0.81874%0.743SS**  trans-167.5154.1168.2-175.80000110.4
752L33.4Very low32.8Very low165 Ų165126.6 Ų126.686%0.86474%0.742SS**  trans-175.2-178.2155.5-105.2171.7000113.4
753I42Very low33.4Very low147 Ų147125.7 Ų125.775%0.75474%0.74SS**  trans-150.4146.3-154.6-6.7173.1000116.4
754N37.4Very low33.3Very low104 Ų104124.8 Ų124.856%0.55673%0.734SS**  trans73.6147.3137-149.519.1000123.1L707L707-N754 CarbonylContact C-O 3.49Å; L707-N754 PolarHBondContact N-O 2.93Å; L707-N754 CarbonylContact O-C 3.1Å
755S34.3Very low33.2Very low15 Ų15126.9 Ų126.911%0.10574%0.738CS.*  146.2147.8112.8-79.20000120.9N706 L707N706-S755 WeakPolarHBondContact OD1-CB 3.37Å; N706-S755 PolarHBondContact OD1-OG 3.04Å; L707-S755 PolarHBondContact O-N 3.26Å
756F34.3Very low33.1Very low123 Ų123127.9 Ų127.954%0.53975%0.746SS.*  trans67158.3131.4-74.3-142.5000121.1N706N706-F756 HydrophobicContact CB-CB 4.29Å; N706-F756 WeakPolarHBondContact ND2-CD1 3.34Å; N706-F756 WeakPolarHBondContact ND2-CG 3.3Å
757F33.8Very low33.1Very low187 Ų187130.9 Ų130.982%0.8275%0.753SS**  cis-161.9161.9-6.9-129.7-3.3000114.8
758G29.7Very low33Very low66 Ų66123.6 Ų123.668%0.6875%0.752SS**  trans79.1155152.600000118.5
759Q28.2Very low32.2Very low206 Ų206123.7 Ų123.796%0.96376%0.761SS**  cis-156.3177-10-73.7-170.1-118.400107.4
760G29.7Very low32.5Very low64 Ų64119 Ų11966%0.6676%0.756SS**  cis170.7-178.6-1.300000112.2
761N28.6Very low32.6Very low175 Ų175121.2 Ų121.294%0.93676%0.76SS**  trans66.7141.2174.3-67.9-8.1000120.7
762G28.9Very low32.3Very low71 Ų71124.2 Ų124.273%0.73276%0.761SS**  trans-118.6-172.7170.200000111.6
763P42.4Very low32.2Very low126 Ų126124.2 Ų124.282%0.81876%0.762SS**  -130.1-179.354.234.5-14.2000113
764T30.3Very low31.8Very low120 Ų120124.8 Ų124.874%0.73677%0.765SS**  -156.1150.552.548.10000116.4
765T28.1Very low31.6Very low134 Ų134131.4 Ų131.482%0.82278%0.782SS**  trans31.3144.3151.251.70000125.2
766A28.8Very low31.6Very low100 Ų100135.1 Ų135.183%0.82681%0.814SS**  trans93.77614800000120.1
767K29.2Very low31.8Very low219 Ų219138.3 Ų138.395%0.95283%0.832SS**  trans-20.4134.1157.6-65.2173.6174.4176.70117.7
768G28.1Very low31.7Very low82 Ų82135.2 Ų135.285%0.84583%0.834SS**  trans-166.560.6163.100000112.1
769A30.1Very low32.4Very low108 Ų108141.6 Ų141.689%0.89384%0.838SS**  trans-73.4140.8-16800000113.9
770A38Very low33.3Very low96 Ų96143.7 Ų143.779%0.79384%0.837SS**  trans-92.5171.4177.600000112.9
771S30.3Very low33.7Very low120 Ų120149.4 Ų149.484%0.83984%0.84SS**  trans-147.287.3160.766.50000111.5
772E33.8Very low34Very low180 Ų180146.9 Ų146.984%0.84184%0.836SS**  trans-70.6149.8154.3-63.6-177.6117.100109.3
773N30.8Very low34.4Very low166 Ų166149.8 Ų149.889%0.88884%0.839SS**  trans-160.7149.4147.3-121.1-80.4000113.1
774I33.7Very low33.9Very low159 Ų159150.1 Ų150.182%0.81584%0.843SS**  trans-100.6138.2-176.4-62.5166.4000109.2
775R33Very low33.8Very low242 Ų242147.7 Ų147.791%0.91384%0.842SS**  trans-147.2138.8160.7-175.7156.8-81.7-126.1-2.5112.3
776A33.3Very low33.9Very low94 Ų94147.2 Ų147.278%0.77784%0.844SS**PPolyproline II helixtrans-69.8152.1-179.700000113.3
777M38.3Very low34Very low189 Ų189148 Ų14893%0.93184%0.844SS**PPolyproline II helixtrans-88.2142.1175.3-76.7-79-81.700111.6
778S32.3Very low34.1Very low122 Ų122145.1 Ų145.185%0.85384%0.839SS**PPolyproline II helixtrans-103.1152.9-174.4-170.30000113.3
779R43.9Very low35.4Very low200 Ų200146.2 Ų146.276%0.75583%0.831SS**PPolyproline II helixtrans-78.5141.2177.1-61.7-178178.6-159.52.3111.5
780R47.7Very low35.7Very low250 Ų250147.2 Ų147.294%0.94383%0.828SS**  trans-141.5144.9149.2-75.9-160170.3-135-5.4111.1
781Y37.3Very low35.3Very low184 Ų184149.9 Ų149.972%0.72283%0.829SS**  trans-98.1158.6175-65.9-103.2000110.3
782S36Very low35.3Very low123 Ų123148.5 Ų148.586%0.8683%0.825SS**  trans-159.9153.2152.8-780000109.8
783V36.3Very low35.1Very low132 Ų132147.4 Ų147.480%0.882%0.82SS**  trans-139.1162.9-172.6-177.30000108.6
784C31.6Very low35Very low133 Ų133146.5 Ų146.590%0.89982%0.815SS**  trans73.8146-177.7-54.60000115.4
785G29.6Very low34.8Very low69 Ų69143.2 Ų143.271%0.71181%0.811SS**  cis159.3149.9-13.600000115
786S30.1Very low34.5Very low123 Ų123136.1 Ų136.186%0.8680%0.799SS**  trans71.9166.7161.7-154.90000119.9
787S30Very low34.5Very low118 Ų118140.7 Ų140.783%0.82580%0.804SS**  trans78.2154.9170.875.10000118.9
788N32.1Very low33.9Very low158 Ų158135 Ų13585%0.84579%0.794SS**  trans-121.5-176.5-160-131.35.9000110.8
789P55.9Low33.6Very low105 Ų105135.1 Ų135.168%0.68280%0.795SS**  trans-87.4163-15136.1-40.7000116.1
790P34.8Very low32.9Very low129 Ų129129.4 Ų129.484%0.83879%0.79SS**  trans-92.7144.4158.435.5-30.1000112.4
791N30.3Very low32Very low152 Ų152125.9 Ų125.981%0.81379%0.79SS**  trans-129.6113.9168.3173.128.3000109.9
792A30.3Very low31.4Very low91 Ų91120.8 Ų120.875%0.75279%0.793SS**  trans-162.9126.5162.600000106.3
793Q29.4Very low30.9Very low157 Ų157120.6 Ų120.673%0.73479%0.792SS**  cis69.9126.347.4-71.1-153.4-37.500115.8
794N28.6Very low30.6Very low147 Ų147121 Ų12179%0.78680%0.795SS**  trans66.4154.4161.1-60.7-18.5000115.5
795A29.4Very low30.6Very low89 Ų89122.2 Ų122.274%0.73679%0.791SS**  cis-179.9164.2-12.800000105
796S27.9Very low30.5Very low93 Ų93125.5 Ų125.565%0.6579%0.792SS**  cis-167.6179.3-8.749.40000107.6
797Q32.5Very low30.4Very low190 Ų190125.1 Ų125.189%0.88879%0.79SS**  trans68.2153.8168.1-55.6173.67.300116.3
798G25.9Very low30.4Very low70 Ų70127.1 Ų127.172%0.72279%0.791SS**  cis152.5115.4-12.800000114.9
799S25.8Very low30.3Very low125 Ų125124.5 Ų124.587%0.87479%0.791SS**  trans78.9141.5162.2-150.30000120.3
800A28.2Very low29.1Very low79 Ų79124.9 Ų124.965%0.65380%0.796SS**  trans45.5103.4151.900000120.9
801N28.9Very low29.1Very low176 Ų176123.1 Ų123.194%0.94179%0.793SS**  -153.1138.3108.3-100.7-38.1000109.8
802G25.9Very low29.1Very low77 Ų77124.6 Ų124.679%0.79480%0.797SS**  trans-125.9149.6-175.600000112.6
803S25.5Very low29.3Very low120 Ų120129.9 Ų129.984%0.83981%0.806SS**  trans-159.572.9166.7-167.80000110.1
804T29Very low29.3Very low140 Ų140126.1 Ų126.186%0.85980%0.802SS**  trans-88.3134159.126.60000108.7
805I31.9Very low29.9Very low159 Ų159124.3 Ų124.382%0.81580%0.801SS**  trans-78147.1173-64.2175.3000109.2
806N27.8Very low30Very low137 Ų137128.2 Ų128.273%0.73381%0.806SS**  trans-35149.3175.4-65.5-21.9000114.4
807S29.2Very low30.4Very low115 Ų115130.9 Ų130.980%0.80481%0.812SS**  -156.216350.8-56.60000115.4
808N28.5Very low30.4Very low161 Ų161130 Ų13086%0.86181%0.805SS**  trans-66.3146-174.3-50.6-57.2000115.1
809A31Very low31Very low102 Ų102136.4 Ų136.484%0.84381%0.808SS**  trans-159152.1133.100000110.8
810S30.7Very low31.5Very low113 Ų113141 Ų14179%0.7981%0.806SS**  trans-72.7154.1-17044.50000115.6
811A33.5Very low31.8Very low92 Ų92146 Ų14676%0.7681%0.813SS**SBendtrans-82.1162.3155.100000110.4
812M31.6Very low32.1Very low184 Ų184145.1 Ų145.191%0.90681%0.807SS**  trans63.498.5-166.8-55.2-167.2-167.500114.2
813E33.2Very low32.4Very low201 Ų201145.4 Ų145.494%0.93980%0.802SS**  -148.9171.4115.1-130.6-169.5-169.900112.8
814A30.8Very low32.9Very low79 Ų79144.6 Ų144.665%0.65380%0.802SS**  trans-64.1162-167.700000115.8M816A814-M816 PolarHBondContact O-N 3.36Å
815S41.2Very low33Very low108 Ų108140.9 Ų140.976%0.75579%0.792SS**  trans-39.8112.1153.550.40000114.6
816M30.8Very low33.2Very low172 Ų172143 Ų14385%0.84780%0.798SS**  trans-171.4173.3142.9-107.3-175.5-68.100111.4A814A814-M816 PolarHBondContact O-N 3.36Å
817L36.9Very low33.4Very low149 Ų149139.3 Ų139.378%0.7879%0.793SS**  trans57.3112.8-173.9-60.9100.3000114.7
818K32.2Very low33.6Very low171 Ų171141.8 Ų141.874%0.74379%0.794SS**  cis62.987.510.4-161.5170.3-174.3172.90115.9
819R38.2Very low33.9Very low204 Ų204139.8 Ų139.877%0.7779%0.787SS**  trans78.4132.1165.8-57.3173.7-75.2-160.3-0.9116.8
820R36Very low34.8Very low221 Ų221140.2 Ų140.283%0.83478%0.782SS**  -173.3118.2118.7-98.1-178.4-176-161.10.8111.9
821F34.4Very low35.6Very low184 Ų184140.2 Ų140.281%0.80778%0.779SS**  trans50.1162.2152.9-55.8-72.6000120.1
822I35Very low36.2Very low158 Ų158142 Ų14281%0.8178%0.78SS**  cis-133.5130.616.9-68.3171.2000106.5
823A33.9Very low36.1Very low84 Ų84141.5 Ų141.569%0.69478%0.776SS**  86.2141.953.400000114.1
824A34.9Very low36Very low102 Ų102143 Ų14384%0.84377%0.773SS**  cis-165.7166.9-9.200000113.9
825G31.8Very low36.5Very low63 Ų63144.1 Ų144.165%0.64977%0.774SS**  trans84.4147.916100000117.2
826H35.1Very low35.9Very low202 Ų202149.2 Ų149.294%0.93578%0.776SS**  cis-155.7157.1-19.1-83.8-67.8000106.9
827G32.9Very low35.8Very low61 Ų61150.3 Ų150.363%0.62977%0.772SS**  cis-177.3-172.7-0.700000110.9
828M32.2Very low35.4Very low166 Ų166148.8 Ų148.882%0.81877%0.774SS**  trans63.1113.4174.5-46.4-45.1-65.800117.3
829V35.4Very low35.4Very low119 Ų119144.6 Ų144.672%0.72177%0.772SS**  cis76.1129.719.3-1670000113.6
830P50.1Low35.1Very low112 Ų112142.2 Ų142.273%0.72778%0.78SS**  cis-135-138.9-27.543.6-24.1000109.5
831P46.7Very low34.9Very low113 Ų113135 Ų13573%0.73477%0.773SS**  cis-129.1177.6-25.137.8-20000115.7
832T47Very low34.8Very low128 Ų128130.6 Ų130.679%0.78577%0.771SS**  trans-98.5142.3171.553.60000113.7
833Q30.4Very low34.8Very low175 Ų175128.6 Ų128.682%0.81877%0.771SS**  trans-163.9136.6153.3-101.714779.300107.9
834R30.4Very low34.8Very low231 Ų231132.8 Ų132.887%0.87278%0.777SS**  58.3148.877.8-87.2-167.6169.8-166.8-0.8114
835P40.3Very low34.7Very low104 Ų104136.1 Ų136.168%0.67578%0.777SS**  cis-145.5-168-27.742.8-24.3000114.4
836R30.1Very low34.6Very low214 Ų214138.4 Ų138.481%0.80878%0.778SS**  trans66.9126.7149-77.3-173.7172-176-2.4122.4
837Y27.9Very low34.4Very low195 Ų195134.8 Ų134.877%0.76577%0.77SS**  trans43.3138.6139.1-56.7-67000124
838S29.4Very low34.4Very low117 Ų117136 Ų13682%0.81878%0.775SS**  trans65.7153.7141.553.40000120.5
839A30.7Very low34.3Very low84 Ų84133.3 Ų133.369%0.69477%0.772SS**  cis-172.8154.5-25.100000110.3
840V32.3Very low34.3Very low154 Ų154136.6 Ų136.693%0.93378%0.78SS**  trans66.4148.2160.1173.90000118.1
841G32.2Very low33.5Very low68 Ų68134.9 Ų134.970%0.70178%0.782SS**  trans10553.7166.800000116
842A32.8Very low32.8Very low93 Ų93135.2 Ų135.277%0.76979%0.787SS**  81.810171.400000115.5
843S33.5Very low32.3Very low115 Ų115134.4 Ų134.480%0.80479%0.787SS**  trans-179.7128.6130.6-81.70000112.2
844Q35Very low32.5Very low173 Ų173132.6 Ų132.681%0.80878%0.782SS**  trans54.8113.5156-58.4-170.535.100117.9
845M32.9Very low32.8Very low172 Ų172128.3 Ų128.385%0.84778%0.776SS**  65.4129.194.8-72.4-165.1153.700114.5
846T29.9Very low32.5Very low111 Ų111128.2 Ų128.268%0.68177%0.773SS**  cis-152.8167.64.1-80000112.9
847T31Very low32.8Very low126 Ų126128.9 Ų128.977%0.77378%0.775SS**  trans-16.3152.6157.549.80000119.6
848A32.3Very low33.2Very low87 Ų87128 Ų12872%0.71978%0.775SS**  cis-176.1175.6-1000000110.6
849S30.2Very low33.4Very low108 Ų108126.6 Ų126.676%0.75577%0.766SS**  trans58.7119.1153.1-136.10000118
850Q34.9Very low33.3Very low189 Ų189129.7 Ų129.788%0.88378%0.776SS**  55139.950.2-53.7-151.618.600114.7
851G34.2Very low33.1Very low76 Ų76125.8 Ų125.878%0.78477%0.766SS**  cis-179170.7-1.300000111.4
852S31.4Very low32.8Very low119 Ų119128 Ų12883%0.83277%0.77SS**  trans-130.3118.2-177.161.90000113.8
853S35.8Very low32.9Very low112 Ų112129.8 Ų129.878%0.78377%0.771SS**  trans74.7164.4152.1-153.30000119.7
854L36.4Very low33.2Very low137 Ų137129.9 Ų129.972%0.71777%0.769SS**  trans82.1102.5160.3-54-172000122.1
855L36.2Very low33.1Very low141 Ų141125.1 Ų125.174%0.73876%0.759SS**  83.3111.5117.6-62.8176.3000122.3
856V33.9Very low33Very low102 Ų102127.3 Ų127.362%0.61876%0.759SS**  83.8141.9114.8168.20000121.3
857R36.1Very low33.2Very low227 Ų227128.8 Ų128.886%0.85776%0.759SS**  trans74.1160.8162-81.1157.2-153.4-161.96.7117.4
858K35.6Very low33.3Very low176 Ų176130.5 Ų130.577%0.76576%0.755SS**  cis-176.6138.2-31.1164.6173.8170.1-175.70110.7
859S33.6Very low33.2Very low88 Ų88134.4 Ų134.462%0.61576%0.759SS**  trans55122.7155.572.50000123.4
860V29.2Very low33.4Very low150 Ų150137.7 Ų137.791%0.90977%0.766SS**  62.1118122.1-175.90000120.9
861G28.1Very low33.1Very low71 Ų71133.7 Ų133.773%0.73276%0.759SS**  trans126.5164.2138.100000116.3
862C26.1Very low33.7Very low116 Ų116135.5 Ų135.578%0.78476%0.757SS**  cis-178.4103.1-32.5-176.70000110.1
863V35Very low33.9Very low130 Ų130137.2 Ų137.279%0.78876%0.757SS**  trans63.1171.3161.5-179.30000114.4
864P40.3Very low33.6Very low116 Ų116135.7 Ų135.775%0.75376%0.759SS**  cis-96178.1-269.315.1000111.9
865A31.8Very low33.2Very low73 Ų73133.3 Ų133.360%0.60377%0.767SS**  cis117.5139.313.100000112.8
866Y31.6Very low32.8Very low218 Ų218131.1 Ų131.186%0.85577%0.77SS**  trans72.1151.4179.9-53.7-74.7000116.5
867Q33.3Very low32.6Very low143 Ų143131.4 Ų131.467%0.66878%0.776SS**  cis-151.8140.73.6-142.4-170.931.200113.1
868K33.8Very low32.4Very low162 Ų162128.3 Ų128.370%0.70478%0.776SS**  trans58.6162154.9-76.4166.9178.8-178.80120.3
869Q30Very low32.2Very low169 Ų169127.1 Ų127.179%0.7978%0.777SS**  cis-177.8138.3-49.5-120.2178.9-40.300109.3
870I33.4Very low32.2Very low176 Ų176132.3 Ų132.390%0.90379%0.791SS**  trans-167.5152.7138.7-98.6151000107.3
871S30Very low32.3Very low106 Ų106134.8 Ų134.874%0.74179%0.79SS**  trans-94.1168.8-168.6-133.80000111.7
872P46.3Very low32.8Very low113 Ų113135.9 Ų135.973%0.73478%0.782SS**  -137.6164.658.236.3-17.5000117.8
873N34.9Very low33.5Very low155 Ų155135.7 Ų135.783%0.82978%0.78SS**  trans57.1108.4158.8-62.97.1000119.7
874G29Very low33.1Very low81 Ų81137.9 Ų137.984%0.83578%0.781SS**  trans-90.4-178.7154.800000112.1
875G29.1Very low32.7Very low86 Ų86140.1 Ų140.189%0.88779%0.785SS**  cis125.2102.8-3.500000114
876A28Very low32.7Very low96 Ų96140.5 Ų140.579%0.79379%0.788SS**  trans-137.3118.1160.600000107
877S29.8Very low32.7Very low108 Ų108135.3 Ų135.376%0.75578%0.784SS**  83.4103.855.7-176.50000113.1
878L30.9Very low32.7Very low161 Ų161134 Ų13484%0.84379%0.786SS**  -165.8164.6104.8-147.369.4000112.1
879L31.5Very low32.5Very low151 Ų151135 Ų13579%0.79179%0.793SS**  trans-76.3152.9168.5-75.377.1000111.7
880Q33.9Very low32.6Very low197 Ų197130.8 Ų130.892%0.92180%0.795SS**  trans-63.6132.1156.1-71.7-177.8-21.100110.9
881K32.2Very low32.5Very low203 Ų203128.1 Ų128.188%0.88379%0.791SS**  trans-147.3145.1163.8-135.8170.9-174.9176.40110.1
882T38.6Very low32.7Very low93 Ų93126.8 Ų126.857%0.57179%0.787SS**  trans-68.2139.9-168.459.30000113.3K327K327-T882 PolarHBondContact NZ-OG1 3.18Å
883P39.6Very low32Very low113 Ų113130.3 Ų130.373%0.73479%0.791SS**  trans-71.1132.6163.330.6-32.7000110.7I885P883-I885 HydrophobicContact CB-CG1 4.47Å
884Q28.1Very low31.9Very low175 Ų175129.1 Ų129.182%0.81879%0.785SS**  trans-105.3141.7139.1-72.4177.8-69.500105.6
885I31.3Very low32Very low163 Ų163133 Ų13384%0.83679%0.787SS**  trans-127136.6170.4-60.1179000107.4P883P883-I885 HydrophobicContact CB-CG1 4.47Å
886A31.2Very low32.4Very low81 Ų81138 Ų13867%0.66978%0.784SS**  trans-131.3135.4170.700000109.6
887S31.9Very low32.5Very low109 Ų109138.3 Ų138.376%0.76279%0.787SS**  trans67.4153148.863.70000121.8
888V32.7Very low33.1Very low116 Ų116140.9 Ų140.970%0.70379%0.787SS**  trans100.5101.9154.1-170.60000119.6
889Q30.6Very low33.3Very low184 Ų184139.3 Ų139.386%0.8679%0.786SS**  trans45.8124.7137.8-62.8172-108.600124.5
890G30.7Very low33.1Very low80 Ų80141.4 Ų141.483%0.82579%0.789SS**  trans83165.7131.600000118.3
891S31.5Very low34.1Very low119 Ų119137.4 Ų137.483%0.83278%0.78SS**  cis-169.3158.2-17-169.30000109.2
892A34Very low33.9Very low79 Ų79134.8 Ų134.865%0.65378%0.781SS**  trans63.2157.6167.500000117.7
893F33Very low33.6Very low186 Ų186134.4 Ų134.482%0.81679%0.787SS**  cis-153.3168.8-21.3-112.9-51000109
894N33.3Very low33.1Very low130 Ų130135.4 Ų135.470%0.69579%0.792SS**  trans10.8135.4156.8-56.5-9.2000119.3
895D30.1Very low33.2Very low164 Ų164131.3 Ų131.388%0.87779%0.788SS**  -149.5162.579.5-104.6-26.4000115.9
896F36.6Very low33Very low191 Ų191128.9 Ų128.984%0.83879%0.785SS**  trans-144.7124.7-168.7-148.2-78.1000111.5
897A31.5Very low33Very low102 Ų102131.4 Ų131.484%0.84379%0.792SS**  trans-146.5123.3173.500000112.1
898Q41.7Very low32.8Very low162 Ų162133.9 Ų133.976%0.75780%0.797SS**  trans-103.4162.4161.4-69.2-171.4-7.700109.4
899P35.3Very low32.7Very low127 Ų127132 Ų13283%0.82580%0.8SS**  trans-125.1153141.134.9-26.3000113.4
900K27.7Very low32.7Very low195 Ų195133 Ų13385%0.84881%0.805SS**  trans-111.3172166.8-115.6-156.5169.9-176.70109.4
901P53.8Low32.5Very low113 Ų113137.7 Ų137.773%0.73481%0.805SS**  trans-99.2167.4-153.638.9-39.8000116.3
902T29.3Very low32.4Very low149 Ų149137.7 Ų137.791%0.91481%0.805SS**  trans-145.7166166-5.50000111.8
903A32.1Very low32.3Very low84 Ų84139 Ų13969%0.69481%0.81SS**  trans-78.1-178.6-170.400000114
904T29.6Very low32.3Very low135 Ų135136.4 Ų136.483%0.82881%0.812SS**  cis-165.6162.627-25.10000113.4
905A30Very low32.2Very low89 Ų89136 Ų13674%0.73681%0.814SS**  trans72.5112.7143.600000123.6
906S27Very low32.2Very low111 Ų111134 Ų13478%0.77681%0.813SS**  56.4120.3124.3-176.10000122.5
907V31Very low31.8Very low135 Ų135129.7 Ų129.782%0.81881%0.813SS**  -171.1162114.2143.30000110.6
908N27.9Very low31.9Very low161 Ų161132.3 Ų132.386%0.86181%0.812SS**  trans-68156.2-173.1-54.9-28.4000115.4
909G29.2Very low31.5Very low75 Ų75133.3 Ų133.377%0.77381%0.814SS**  trans156.2105.8161.100000113.1E911G909-E911 PolarHBondContact O-N 3.04Å
910E30.5Very low31.6Very low205 Ų205138.2 Ų138.296%0.95882%0.816SS**  trans-8796.2171.2-76.9-170.1116.400110.6
911E28.1Very low31.7Very low179 Ų179134 Ų13484%0.83681%0.81SS**  trans-140.3144.9166.1-75.8-163.9144.300112.5G909G909-E911 PolarHBondContact O-N 3.04Å
912S28.6Very low30.7Very low119 Ų119135.8 Ų135.883%0.83281%0.813SS**  trans72.7141.2157.877.20000120.5
913S31.9Very low30.8Very low106 Ų106135 Ų13574%0.74181%0.808SS**  trans-81.3144.5172.2-47.60000111.9
914P33.9Very low30.7Very low133 Ų133137.1 Ų137.186%0.86481%0.812SS**  trans-88.2109.4170.332.7-30.8000111.9
915T29.6Very low30.7Very low121 Ų121135.4 Ų135.474%0.74281%0.812SS**  trans-95.9149.9161.850.80000111
916S31.2Very low30.7Very low121 Ų121137.3 Ų137.385%0.84681%0.81SS**  trans68.6138.3168.483.50000119.3
917A29Very low30.8Very low102 Ų102138.8 Ų138.884%0.84381%0.814SS**  trans-171103.1135.200000111.7
918L31.6Very low31Very low157 Ų157141 Ų14182%0.82281%0.813SS**  trans-62.9155.4175.3-70.5149000114.4
919K33.8Very low31.2Very low183 Ų183139.7 Ų139.780%0.79681%0.81SS**  trans154.5140.9138-83.1144.6-154.51590109
920R37.7Very low31.1Very low229 Ų229141.7 Ų141.786%0.86481%0.812SS**  cis-161.6169.39.8-103160.7-161.9-151.27.6106.5
921S29.5Very low31.3Very low106 Ų106142 Ų14274%0.74181%0.811SS**  cis-162.5149.4-5.51730000107.2
922L34Very low31.6Very low152 Ų152142.5 Ų142.580%0.79681%0.813SS**  trans-120.5136.5171.5-155153000108.6V924L922-V924 HydrophobicContact CD2-CG2 4.17Å
923V30Very low31.6Very low133 Ų133144.1 Ų144.181%0.80681%0.813SS**  trans-102.1116.9-176.6177.60000109.6
924V30.9Very low31.5Very low128 Ų128146.5 Ų146.578%0.77682%0.816SS**  trans-104.8129.9174.8178.50000109.3L922L922-V924 HydrophobicContact CD2-CG2 4.17Å
925A30.1Very low31.6Very low99 Ų99147.9 Ų147.982%0.81882%0.816SS**  trans-92.9157.1173.600000111.3
926N28.7Very low31.5Very low129 Ų129149.7 Ų149.769%0.6982%0.816SS**  trans-116.9135.9-160.7-179-12.1000112.3
927T29.6Very low31.6Very low142 Ų142152.4 Ų152.487%0.87182%0.815SS**  trans-134.3125.3167.5500000111
928K35.2Very low31.6Very low182 Ų182151.4 Ų151.479%0.79181%0.807SS**  trans-108.7138.8-178.7-65.7-177.5175.8-174.40113
929T31.5Very low31.4Very low132 Ų132148.4 Ų148.481%0.8180%0.799SS**  trans-150.2102.8149.245.10000107.2
930S27.2Very low31.1Very low117 Ų117148 Ų14882%0.81880%0.8SS**  78.371.769-167.30000113.9
931F35.1Very low30.6Very low211 Ų211142.2 Ų142.293%0.92579%0.79SS**  trans-87.4103.8165.4-94.4-96.4000110.3
932Q34.7Very low30.5Very low190 Ų190142.9 Ų142.989%0.88879%0.79SS**  trans-164.781162.5-151.8165.72300113.2
933D27.6Very low30.3Very low153 Ų153144 Ų14482%0.81879%0.791SS**  trans-158.2161151-142.8-22.1000112.3
934L30.5Very low30.4Very low156 Ų156148 Ų14882%0.81779%0.792SS**  trans55.878.9171-102.666.8000118.6
935L35.3Very low30.2Very low163 Ų163149.3 Ų149.385%0.85379%0.794SS**  trans-133.874147.1-169.687000111.1
936Q28.9Very low30.6Very low159 Ų159151.9 Ų151.974%0.74379%0.787SS**  trans-156109.4171.5-142.981.890.400114
937Q32Very low30.7Very low177 Ų177153.8 Ų153.883%0.82780%0.795SS**  trans52.2147.6144.4-66.8175.4-13.800120.9
938A29.3Very low30.9Very low82 Ų82153.2 Ų153.268%0.67878%0.783SS**  cis-171-169.2-15.100000106.2
939S27.2Very low30.8Very low94 Ų94150.2 Ų150.266%0.65778%0.784SS**  cis-163166.613.2-350000110.3
940Q28.6Very low30.6Very low174 Ų174148.2 Ų148.281%0.81378%0.776SS**  trans68.3151.5156.1-64.3179.732.500116.9
941T27.3Very low30.9Very low108 Ų108150.9 Ų150.966%0.66378%0.775SS**  cis-161.7148.8-2.914.20000110.6
942V27.6Very low30.8Very low119 Ų119146.8 Ų146.872%0.72177%0.768SS**  trans42.7128.7132.5177.70000118.4
943Q28.7Very low30.6Very low176 Ų176142.3 Ų142.382%0.82276%0.763SS**  cis-157.2-177.444.5-151157.1100.500113.9
944R32.3Very low30.8Very low218 Ų218139.5 Ų139.582%0.82376%0.761SS**  trans-86.7164.9173-60.6175.516891.8-1.8112.1
945N27.8Very low31Very low155 Ų155139 Ų13983%0.82977%0.765SS**  -170.7164.6109.8-91-15.1000113.6
946K38.4Very low30.9Very low153 Ų153138.7 Ų138.767%0.66576%0.762SS**  trans-124.9138.7-174.9177.6-156.9179.1-1560108.7E948K946-E948 HydrophobicContact CD-CG 4.49Å; K946-E948 VanDerWaalsContact CE-OE1 3.32Å; K946-E948 WeakPolarHBondContact CE-OE1 3.36Å; K946-E948 IonicContact NZ-OE1 2.59Å; K946-E948 PolarHBondContact NZ-OE1 2.63Å; K946-E948 IonicContact NZ-OE2 3.9Å; K946-E948 PolarHBondContact NZ-OE2 3.35Å
947I31Very low31Very low168 Ų168135.2 Ų135.286%0.86276%0.761SS**  trans-135.6154.2165.4-61-176.6000107.8
948E33.3Very low31.3Very low131 Ų131131.3 Ų131.361%0.61276%0.759SS**  trans-124.8174.5-168.1-66.5171120.600112.2K946K946-E948 HydrophobicContact CD-CG 4.49Å; K946-E948 VanDerWaalsContact CE-OE1 3.32Å; K946-E948 WeakPolarHBondContact CE-OE1 3.36Å; K946-E948 IonicContact NZ-OE1 2.59Å; K946-E948 PolarHBondContact NZ-OE1 2.63Å; K946-E948 IonicContact NZ-OE2 3.9Å; K946-E948 PolarHBondContact NZ-OE2 3.35Å
949S31.5Very low31.5Very low118 Ų118134.2 Ų134.283%0.82576%0.763SS**  trans74.2153.5174.7-4.20000115.2
950S29.1Very low32.2Very low90 Ų90136.6 Ų136.663%0.62977%0.768SS**  cis-158.4147.29.147.40000111.8
951E33.5Very low32.7Very low173 Ų173138.4 Ų138.481%0.80877%0.774SS**  trans58.3162.1141.7-65.7-177.4112.100119.7
952T31.3Very low33.1Very low126 Ų126138.1 Ų138.177%0.77378%0.777SS**  cis-156.5144-14.612.40000109.3
953A32.1Very low33.8Very low95 Ų95140.3 Ų140.379%0.78578%0.784SS**  trans-178.7110.1151.200000108
954A30.6Very low34.4Very low94 Ų94138.7 Ų138.778%0.77778%0.78SS**  8085.955.600000113
955T35.8Very low34.8Very low146 Ų146135 Ų13590%0.89678%0.777SS**  trans-69.2139.3169.1-43.30000110.4
956I31.5Very low35.2Very low156 Ų156136 Ų13680%0.878%0.782SS**  trans-125.6135.6171.5-61.7-179.5000108.2
957A31.5Very low35.5Very low86 Ų86137.9 Ų137.971%0.71179%0.79SS**  trans-82.3166.517700000111.4
958A38.1Very low36.1Very low96 Ų96141.8 Ų141.879%0.79379%0.794SS**  trans-114.9122.4174.800000109.4
959D34.9Very low36.5Very low142 Ų142144.2 Ų144.276%0.75981%0.805SS**  trans-140.3147.5171-74.9-55.2000110.2
960D41.7Very low36.8Very low144 Ų144144.3 Ų144.377%0.7780%0.803SS**  trans36.8114.1156.8-62.5-14.1000122.9
961F39.6Very low37.4Very low212 Ų212146.6 Ų146.693%0.9381%0.813SS**  trans-144.1122.6142.7-86.4-75.4000111.5
962S34Very low37.3Very low103 Ų103145.8 Ų145.872%0.7281%0.814SS**  trans-78.8156.1179.6-57.20000114.1D964S962-D964 WeakPolarHBondContact CB-OD2 3.35Å
963L43.7Very low37.7Very low165 Ų165145.4 Ų145.486%0.86481%0.814SS**  trans-100.315.4-173.3-65.2175.8000115.3N965L963-N965 PolarHBondContact O-N 3.46Å
964D40.9Very low38.1Very low141 Ų141145.1 Ų145.175%0.75481%0.811SS**THydrogen-bonded Turntrans-70.114.8-163-65.5-54000117.7S962S962-D964 WeakPolarHBondContact CB-OD2 3.35Å
965N41.2Very low38.6Very low141 Ų141150.2 Ų150.275%0.75482%0.819SS**THydrogen-bonded Turntrans-136.610-171.1-91.4-69.3000118.1L963 K967L963-N965 PolarHBondContact O-N 3.46Å; N965-K967 PolarHBondContact O-N 3.46Å
966L34.8Very low38.8Very low177 Ų177150.6 Ų150.693%0.92782%0.815SS**  trans-80105.9172.5-125.472.6000111.8
967K45.4Very low39.3Very low191 Ų191151 Ų15183%0.8381%0.814SS**PPolyproline II helixtrans-82.9148.4175.1-71.4179.8-179.7173.80111.5N965N965-K967 PolarHBondContact O-N 3.46Å
968R43.6Very low39.8Very low251 Ų251152.5 Ų152.595%0.94781%0.81SS**PPolyproline II helixtrans-72.3147.5-174.8-60.4171.6179.9156.6-1.9112.7
969E40.8Very low39.9Very low181 Ų181154.2 Ų154.285%0.84681%0.805SS**PPolyproline II helixtrans-74.9160.8163.7-84.1-160133.500112.3
970P38.5Very low40.1Very low121 Ų121154 Ų15479%0.78680%0.803SS**PPolyproline II helixtrans-81.6150.5-176.133-35.9000113.9
971V41.1Very low40.1Very low138 Ų138155 Ų15584%0.83681%0.808SS**PPolyproline II helixtrans-101141.3173.7177.20000109.9
972D33.1Very low40.2Very low156 Ų156148.4 Ų148.483%0.83480%0.799SS**PPolyproline II helixtrans-87.6124.1178.6-152.47.4000110.2A974D972-A974 PolarHBondContact O-N 3.33Å
973P38.1Very low40.3Very low118 Ų118153.6 Ų153.677%0.76683%0.826SS**  trans-92.191.5-162.534.3-35000113.6
974A42Very low40.1Very low89 Ų89153.1 Ų153.174%0.73682%0.824SS**  trans-152.753.4176.800000115.7D972D972-A974 PolarHBondContact O-N 3.33Å
975E40.9Very low40Very low200 Ų200153.7 Ų153.794%0.93583%0.828SS**  trans-172.538.9143.6-106.2166.9-155.800113.9H977E975-H977 PolarHBondContact O-N 3.42Å
976D40.1Very low40Very low154 Ų154154.4 Ų154.482%0.82483%0.832SS**  trans-68.7110156-95.3-37.1000108.5
977H41.4Very low40.3Very low166 Ų166153.1 Ų153.177%0.76983%0.826SS**  -170.5112.2121.3-94.9-49.3000112.7E975E975-H977 PolarHBondContact O-N 3.42Å
978N41.1Very low39.9Very low116 Ų116150.7 Ų150.762%0.6283%0.826SS**  trans70.9110.4137.1-66.151.5000116.7
979D40.5Very low39.7Very low132 Ų132144 Ų14471%0.70682%0.818SS**  90.7142.485.9-76.4-32.9000111.9
980I39.2Very low39.6Very low137 Ų137141.4 Ų141.470%0.70382%0.816SS**  cis-160.1160.3-8.2-177.2162.1000107.6
981L42.6Very low39.7Very low167 Ų167142.9 Ų142.987%0.87482%0.818SS**  trans-14.9126.2167.9-55.3168.2000115.9
982G42.2Very low39.6Very low73 Ų73143.3 Ų143.375%0.75382%0.817SS**  trans-133.8-46.7-178.900000114.8
983V34.2Very low40.2Very low212 Ų212142.2 Ų142.2100%1.28582%0.815SS**  trans-1420162.4-176.20000105.8

Retrieved 983 of 983 residues in 318.8 ms (Link to these results)