A0A075BK49_DROME Loading...

Stonewall

AlphaFold DB , UniProt , Accession A0A075BK49, Species DROME (Drosophila melanogaster, Fruit fly), Gene stwl, Length 983 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E75.3Confident86.2Confident173 Ų173108.5 Ų108.581%0.80847%0.468SS*.  0-670-91.5-168.4-105.900117.7C3 K4 R5E1-C3 PolarHBondContact O-N 3.24Å; E1-K4 WeakPolarHBondContact O-CA 3.42Å; E1-K4 WeakPolarHBondContact O-CB 3.4Å; E1-K4 PolarHBondContact O-N 3.31Å; E1-R5 PolarHBondContact O-N 2.96Å; E1-R5 VanDerWaalsContact O-N 3.1Å; E1-R5 IonicContact OE2-CZ 3.76Å; E1-R5 IonicContact OE2-NH1 2.67Å; E1-R5 PolarHBondContact OE2-NH1 2.87Å; E1-R5 IonicContact OE2-NH2 3.21Å; E1-R5 PolarHBondContact OE2-NH2 2.9Å; E1-R5 VanDerWaalsContact OE2-NH2 3.14Å
2K80.7Confident86.7Confident180 Ų180106.2 Ų106.278%0.78346%0.464SS*.Hα-helixtrans-54.7-45.9-159.6-67.1176.3-177.6172.40114K4 R5 R6K2-K4 PolarHBondContact O-N 3.26Å; K2-R5 PolarHBondContact O-N 2.86Å; K2-R5 VanDerWaalsContact O-N 3.16Å; K2-R6 PolarHBondContact O-N 2.99Å
3C75.6Confident87.1Confident73 Ų73101.8 Ų101.849%0.49345%0.449SS..Hα-helixtrans-58.5-43.3172.8-172.80000112.6E1 R5 R6 W7 D555E1-C3 PolarHBondContact O-N 3.24Å; C3-R5 VanDerWaalsContact C-N 3.29Å; C3-R5 PolarHBondContact O-N 3.04Å; C3-R6 CarbonylContact O-C 3.54Å; C3-R6 PolarHBondContact O-N 3.09Å; C3-R6 VanDerWaalsContact O-N 3.08Å; C3-W7 WeakPolarHBondContact O-CB 3.41Å; C3-W7 PolarHBondContact O-N 2.99Å; C3-D555 PolarHBondContact SG-OD1 3.29Å
4K79.4Confident87.5Confident44 Ų4494.7 Ų94.719%0.19142%0.418CS..Hα-helixtrans-57.2-38.5174.5-157.6174.3-168.6174.30112E1 K2 R8 T588 F589E1-K4 WeakPolarHBondContact O-CA 3.42Å; E1-K4 WeakPolarHBondContact O-CB 3.4Å; E1-K4 PolarHBondContact O-N 3.31Å; K2-K4 PolarHBondContact O-N 3.26Å; K4-R8 WeakPolarHBondContact O-CD 3.32Å; K4-R8 WeakPolarHBondContact O-CG 3.27Å; K4-R8 PolarHBondContact O-N 3.49Å; K4-T588 VanDerWaalsContact NZ-C 3.26Å; K4-T588 PolarHBondContact NZ-O 3.09Å; K4-T588 PolarHBondContact NZ-OG1 3.19Å; K4-F589 HydrophobicContact CD-CE2 4.48Å; K4-F589 HydrophobicContact CD-CZ 4.39Å; K4-F589 VanDerWaalsContact CE-CD2 3.49Å; K4-F589 HydrophobicContact CG-CZ 4.33Å
5R88.3Confident87.7Confident151 Ų15190.7 Ų90.757%0.5740%0.404SS*.Hα-helixtrans-71.4-41.2174-170.8176.2-75.2116.56.1111.8E1 K2 C3 Q9E1-R5 PolarHBondContact O-N 2.96Å; E1-R5 VanDerWaalsContact O-N 3.1Å; E1-R5 IonicContact OE2-CZ 3.76Å; E1-R5 IonicContact OE2-NH1 2.67Å; E1-R5 PolarHBondContact OE2-NH1 2.87Å; E1-R5 IonicContact OE2-NH2 3.21Å; E1-R5 PolarHBondContact OE2-NH2 2.9Å; E1-R5 VanDerWaalsContact OE2-NH2 3.14Å; K2-R5 PolarHBondContact O-N 2.86Å; K2-R5 VanDerWaalsContact O-N 3.16Å; C3-R5 VanDerWaalsContact C-N 3.29Å; C3-R5 PolarHBondContact O-N 3.04Å; R5-Q9 PolarHBondContact O-N 2.89Å; R5-Q9 VanDerWaalsContact O-N 3.11Å
6R89.8Confident87.9Confident137 Ų13793.8 Ų93.852%0.51741%0.412SS..Hα-helixtrans-66.5-42.6177.7-172.957.5169.6178.3-2.7112.8K2 C3 Q9 L10K2-R6 PolarHBondContact O-N 2.99Å; C3-R6 CarbonylContact O-C 3.54Å; C3-R6 PolarHBondContact O-N 3.09Å; C3-R6 VanDerWaalsContact O-N 3.08Å; R6-Q9 WeakPolarHBondContact O-CB 3.46Å; R6-Q9 PolarHBondContact O-N 3.1Å; R6-Q9 VanDerWaalsContact O-N 3.16Å; R6-L10 PolarHBondContact O-N 2.97Å
7W90.9Very high88.2Confident96 Ų9690.2 Ų90.236%0.36440%0.395SS..Hα-helixtrans-63.8-41.7175.6-178.4-118.4000112.6C3 Q9 L10 R11 L40 F42 L43C3-W7 WeakPolarHBondContact O-CB 3.41Å; C3-W7 PolarHBondContact O-N 2.99Å; W7-Q9 VanDerWaalsContact C-N 3.3Å; W7-Q9 PolarHBondContact O-N 3.04Å; W7-L10 HydrophobicContact CE3-CB 4.4Å; W7-L10 HydrophobicContact CE3-CD2 3.78Å; W7-L10 HydrophobicContact CZ3-CD2 3.6Å; W7-L10 PolarHBondContact O-N 3.18Å; W7-R11 WeakPolarHBondContact O-CB 3.34Å; W7-R11 PolarHBondContact O-N 3.21Å; W7-L40 HydrophobicContact CH2-CD2 3.91Å; W7-L40 HydrophobicContact CZ3-CD2 3.9Å; W7-F42 AromaticContact CH2-CZ 3.88Å; W7-F42 HydrophobicContact CH2-CZ 3.88Å; W7-F42 HydrophobicContact CZ2-CZ 4.27Å; W7-L43 HydrophobicContact CH2-CD1 4.07Å; W7-L43 HydrophobicContact CH2-CD2 4.48Å; W7-L43 HydrophobicContact CZ2-CD1 4.19Å; W7-L43 HydrophobicContact CZ2-CD2 4.07Å
8R90.9Very high88.1Confident115 Ų11585.8 Ų85.843%0.43438%0.377SS..Hα-helixtrans-57.6-42.8170.9-73.3167.9-176.7170.10.1111.2K4 N12K4-R8 WeakPolarHBondContact O-CD 3.32Å; K4-R8 WeakPolarHBondContact O-CG 3.27Å; K4-R8 PolarHBondContact O-N 3.49Å; R8-N12 VanDerWaalsContact O-CB 3.27Å; R8-N12 WeakPolarHBondContact O-CB 3.48Å; R8-N12 PolarHBondContact O-N 3Å; R8-N12 VanDerWaalsContact O-N 3.08Å; R8-N12 PolarHBondContact O-ND2 3.23Å; R8-N12 VanDerWaalsContact O-ND2 3.08Å
9Q92.6Very high88.1Confident92 Ų9285.7 Ų85.743%0.4338%0.381SS..Hα-helixtrans-62.6-51.8174.7-178.6175.823.800111.4R5 R6 W7 R11 N12 D13R5-Q9 PolarHBondContact O-N 2.89Å; R5-Q9 VanDerWaalsContact O-N 3.11Å; R6-Q9 WeakPolarHBondContact O-CB 3.46Å; R6-Q9 PolarHBondContact O-N 3.1Å; R6-Q9 VanDerWaalsContact O-N 3.16Å; W7-Q9 VanDerWaalsContact C-N 3.3Å; W7-Q9 PolarHBondContact O-N 3.04Å; Q9-R11 PolarHBondContact O-N 3.46Å; Q9-N12 WeakPolarHBondContact O-CB 3.41Å; Q9-N12 PolarHBondContact O-N 3.05Å; Q9-N12 VanDerWaalsContact O-N 3.07Å; Q9-D13 VanDerWaalsContact CG-OD2 3.26Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.29Å; Q9-D13 PolarHBondContact O-N 3.27Å
10L92.8Very high88Confident37 Ų3783.3 Ų83.319%0.19438%0.377CS..Hα-helixtrans-55.3-49.8-178.9-155.286.4000112.4R6 W7 N12 D13 Y14 L36 L40R6-L10 PolarHBondContact O-N 2.97Å; W7-L10 HydrophobicContact CE3-CB 4.4Å; W7-L10 HydrophobicContact CE3-CD2 3.78Å; W7-L10 HydrophobicContact CZ3-CD2 3.6Å; W7-L10 PolarHBondContact O-N 3.18Å; L10-N12 VanDerWaalsContact C-N 3.35Å; L10-N12 PolarHBondContact O-N 2.81Å; L10-D13 PolarHBondContact O-N 2.74Å; L10-Y14 WeakPolarHBondContact O-CB 3.21Å; L10-Y14 PolarHBondContact O-N 3.46Å; L10-L36 HydrophobicContact CD1-CD1 3.77Å; L10-L36 HydrophobicContact CD2-CD1 4.49Å; L10-L36 HydrophobicContact CG-CD1 4.46Å; L10-L40 HydrophobicContact CD2-CD1 3.82Å; L10-L40 HydrophobicContact CD2-CD2 3.87Å; L10-L40 HydrophobicContact CD2-CG 4.43Å; L10-L40 HydrophobicContact CG-CD1 3.97Å
11R91.8Very high87.8Confident96 Ų9679.5 Ų79.536%0.36236%0.36SS..Hα-helixtrans-61.6-41.8175.8179.8179.6-69.6-179-5.5111.5W7 Q9 T15 L43 L47W7-R11 WeakPolarHBondContact O-CB 3.34Å; W7-R11 PolarHBondContact O-N 3.21Å; Q9-R11 PolarHBondContact O-N 3.46Å; R11-T15 VanDerWaalsContact O-CB 3.32Å; R11-T15 WeakPolarHBondContact O-CB 3.44Å; R11-T15 PolarHBondContact O-N 2.99Å; R11-T15 PolarHBondContact O-OG1 2.8Å; R11-L43 HydrophobicContact CB-CD1 4.47Å; R11-L43 HydrophobicContact CG-CD1 4.31Å; R11-L47 HydrophobicContact CG-CD2 4.11Å
12N92.3Very high88.2Confident80 Ų8072.5 Ų72.543%0.42833%0.332SS..Hα-helixtrans-67.7-37.4179-73.9-21.2000112.4R8 Q9 L10 R16R8-N12 VanDerWaalsContact O-CB 3.27Å; R8-N12 WeakPolarHBondContact O-CB 3.48Å; R8-N12 PolarHBondContact O-N 3Å; R8-N12 VanDerWaalsContact O-N 3.08Å; R8-N12 PolarHBondContact O-ND2 3.23Å; R8-N12 VanDerWaalsContact O-ND2 3.08Å; Q9-N12 WeakPolarHBondContact O-CB 3.41Å; Q9-N12 PolarHBondContact O-N 3.05Å; Q9-N12 VanDerWaalsContact O-N 3.07Å; L10-N12 VanDerWaalsContact C-N 3.35Å; L10-N12 PolarHBondContact O-N 2.81Å; N12-R16 WeakPolarHBondContact O-CB 3.37Å; N12-R16 WeakPolarHBondContact O-CG 3.41Å; N12-R16 PolarHBondContact O-N 3.07Å; N12-R16 PolarHBondContact O-NE 2.75Å
13D92.5Very high88.3Confident50 Ų5067.7 Ų67.727%0.26732%0.315SS..Hα-helixtrans-71.6-40.8176.8-71.3-35.2000111.9Q9 L10 R16 W17Q9-D13 VanDerWaalsContact CG-OD2 3.26Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.29Å; Q9-D13 PolarHBondContact O-N 3.27Å; L10-D13 PolarHBondContact O-N 2.74Å; D13-R16 WeakPolarHBondContact O-CB 3.39Å; D13-R16 PolarHBondContact O-N 3.35Å; D13-R16 IonicContact OD1-CZ 3.69Å; D13-R16 IonicContact OD1-NE 3.36Å; D13-R16 PolarHBondContact OD1-NE 3.33Å; D13-R16 IonicContact OD1-NH2 3.14Å; D13-R16 PolarHBondContact OD1-NH2 3.23Å; D13-W17 WeakPolarHBondContact O-CB 3.38Å; D13-W17 PolarHBondContact O-N 3.15Å
14Y92.8Very high88.6Confident2 Ų266.4 Ų66.41%0.00830%0.3CS..Hα-helixtrans-59.8-48.2169.4-175.1-108.1000111.8L10 R16 W17 C18 Y34 A37 L40 R41 L43 D44 L47L10-Y14 WeakPolarHBondContact O-CB 3.21Å; L10-Y14 PolarHBondContact O-N 3.46Å; Y14-R16 VanDerWaalsContact C-N 3.32Å; Y14-R16 PolarHBondContact O-N 2.95Å; Y14-W17 AromaticContact CD2-CE3 3.98Å; Y14-W17 HydrophobicContact CD2-CE3 3.98Å; Y14-W17 HydrophobicContact CD2-CZ3 4.37Å; Y14-W17 AromaticContact CE2-CE3 3.77Å; Y14-W17 HydrophobicContact CE2-CE3 3.77Å; Y14-W17 AromaticContact CE2-CZ3 3.7Å; Y14-W17 HydrophobicContact CE2-CZ3 3.7Å; Y14-W17 CarbonylContact O-C 3.57Å; Y14-W17 WeakPolarHBondContact O-CA 3.28Å; Y14-W17 WeakPolarHBondContact O-CB 3.5Å; Y14-W17 PolarHBondContact O-N 2.84Å; Y14-C18 VanDerWaalsContact CE1-SG 3.51Å; Y14-C18 PolarHBondContact O-N 3.33Å; Y14-C18 PolarHBondContact O-SG 2.76Å; Y14-C18 VanDerWaalsContact O-SG 3.4Å; Y14-Y34 AromaticContact CD2-CD1 3.84Å; Y14-Y34 HydrophobicContact CD2-CD1 3.84Å; Y14-Y34 AromaticContact CD2-CE1 3.76Å; Y14-Y34 HydrophobicContact CD2-CE1 3.76Å; Y14-Y34 HydrophobicContact CE2-CD1 4.47Å; Y14-A37 PolarHBondContact OH-O 3.06Å; Y14-L40 HydrophobicContact CD1-CB 4.12Å; Y14-L40 HydrophobicContact CD2-CB 3.74Å; Y14-L40 HydrophobicContact CD2-CD1 3.98Å; Y14-L40 HydrophobicContact CD2-CG 4.5Å; Y14-L40 HydrophobicContact CE1-CB 4.15Å; Y14-L40 WeakPolarHBondContact CE1-O 3.47Å; Y14-L40 HydrophobicContact CE2-CB 3.77Å; Y14-L40 HydrophobicContact CG-CB 3.91Å; Y14-L40 HydrophobicContact CG-CD1 3.92Å; Y14-R41 WeakPolarHBondContact OH-CA 3.35Å; Y14-L43 HydrophobicContact CD1-CB 4.34Å; Y14-L43 HydrophobicContact CD1-CD1 4.39Å; Y14-L43 HydrophobicContact CE1-CB 4.19Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.33Å; Y14-D44 PolarHBondContact OH-OD1 2.76Å; Y14-D44 PolarHBondContact OH-OD2 3.35Å; Y14-L47 HydrophobicContact CD1-CD1 3.78Å; Y14-L47 HydrophobicContact CE1-CD1 4.06Å
15T90.4Very high88.6Confident34 Ų3470.1 Ų70.121%0.20931%0.312CS..Hα-helixtrans-60.7-39.9177.4-52.60000111.8R11 N19 L47R11-T15 VanDerWaalsContact O-CB 3.32Å; R11-T15 WeakPolarHBondContact O-CB 3.44Å; R11-T15 PolarHBondContact O-N 2.99Å; R11-T15 PolarHBondContact O-OG1 2.8Å; T15-N19 PolarHBondContact O-N 3.26Å; T15-N19 VanDerWaalsContact O-N 3.14Å; T15-N19 PolarHBondContact O-ND2 3.11Å; T15-L47 HydrophobicContact CG2-CD2 4.36Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.32Å; T15-L47 VanDerWaalsContact OG1-CD2 3.29Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.41Å
16R90.8Very high88.2Confident141 Ų14170.6 Ų70.653%0.53231%0.314SS..Hα-helixtrans-61.3-44.1172.2-82.8-178.1-84.3-92.49.7111.3N12 D13 Y14 A20N12-R16 WeakPolarHBondContact O-CB 3.37Å; N12-R16 WeakPolarHBondContact O-CG 3.41Å; N12-R16 PolarHBondContact O-N 3.07Å; N12-R16 PolarHBondContact O-NE 2.75Å; D13-R16 WeakPolarHBondContact O-CB 3.39Å; D13-R16 PolarHBondContact O-N 3.35Å; D13-R16 IonicContact OD1-CZ 3.69Å; D13-R16 IonicContact OD1-NE 3.36Å; D13-R16 PolarHBondContact OD1-NE 3.33Å; D13-R16 IonicContact OD1-NH2 3.14Å; D13-R16 PolarHBondContact OD1-NH2 3.23Å; Y14-R16 VanDerWaalsContact C-N 3.32Å; Y14-R16 PolarHBondContact O-N 2.95Å; R16-A20 WeakPolarHBondContact O-CB 3.3Å; R16-A20 PolarHBondContact O-N 3.49Å
17W91.9Very high87.7Confident33 Ų3369.7 Ų69.713%0.12532%0.32CS..Hα-helixtrans-64-50177.4173.379.7000112.2D13 Y14 N19 A20 D21 L32 Y34 A37D13-W17 WeakPolarHBondContact O-CB 3.38Å; D13-W17 PolarHBondContact O-N 3.15Å; Y14-W17 AromaticContact CD2-CE3 3.98Å; Y14-W17 HydrophobicContact CD2-CE3 3.98Å; Y14-W17 HydrophobicContact CD2-CZ3 4.37Å; Y14-W17 AromaticContact CE2-CE3 3.77Å; Y14-W17 HydrophobicContact CE2-CE3 3.77Å; Y14-W17 AromaticContact CE2-CZ3 3.7Å; Y14-W17 HydrophobicContact CE2-CZ3 3.7Å; Y14-W17 CarbonylContact O-C 3.57Å; Y14-W17 WeakPolarHBondContact O-CA 3.28Å; Y14-W17 WeakPolarHBondContact O-CB 3.5Å; Y14-W17 PolarHBondContact O-N 2.84Å; W17-N19 VanDerWaalsContact C-N 3.31Å; W17-N19 PolarHBondContact O-N 3.21Å; W17-A20 CarbonylContact O-C 3.58Å; W17-A20 WeakPolarHBondContact O-CA 3.44Å; W17-A20 PolarHBondContact O-N 3.25Å; W17-D21 HydrophobicContact CZ2-CB 4.44Å; W17-D21 WeakPolarHBondContact O-CB 3.49Å; W17-D21 PolarHBondContact O-N 3.21Å; W17-L32 WeakPolarHBondContact CZ2-O 3.24Å; W17-L32 PolarHBondContact NE1-O 2.84Å; W17-Y34 HydrophobicContact CB-CD2 4.19Å; W17-Y34 HydrophobicContact CB-CG 4.36Å; W17-Y34 HydrophobicContact CD2-CG 4.12Å; W17-Y34 HydrophobicContact CE3-CG 4.48Å; W17-Y34 HydrophobicContact CG-CD2 4.2Å; W17-Y34 HydrophobicContact CG-CG 4.03Å; W17-A37 HydrophobicContact CH2-CB 3.9Å; W17-A37 HydrophobicContact CZ2-CB 4.46Å; W17-A37 HydrophobicContact CZ3-CB 4.19Å
18C88Confident87.2Confident10 Ų1068.7 Ų68.77%0.06834%0.339CS..Hα-helixtrans-58.8-40.7179-62.70000112.2Y14 D21 A22 I49Y14-C18 VanDerWaalsContact CE1-SG 3.51Å; Y14-C18 PolarHBondContact O-N 3.33Å; Y14-C18 PolarHBondContact O-SG 2.76Å; Y14-C18 VanDerWaalsContact O-SG 3.4Å; C18-D21 PolarHBondContact O-N 3.24Å; C18-A22 WeakPolarHBondContact O-CB 3.45Å; C18-A22 PolarHBondContact O-N 3.09Å; C18-I49 HydrophobicContact CB-CD1 3.46Å; C18-I49 VanDerWaalsContact CB-CD1 3.46Å; C18-I49 HydrophobicContact CB-CG1 4.26Å
19N86.5Confident86.7Confident84 Ų8468.8 Ų68.845%0.44934%0.344SS..Hα-helixtrans-66.1-38.4174.8-82.2-83000112.6T15 W17 N23T15-N19 PolarHBondContact O-N 3.26Å; T15-N19 VanDerWaalsContact O-N 3.14Å; T15-N19 PolarHBondContact O-ND2 3.11Å; W17-N19 VanDerWaalsContact C-N 3.31Å; W17-N19 PolarHBondContact O-N 3.21Å; N19-N23 WeakPolarHBondContact O-CB 3.4Å; N19-N23 PolarHBondContact O-N 3.23Å; N19-N23 VanDerWaalsContact O-N 3.15Å; N19-N23 PolarHBondContact O-ND2 3.14Å
20A86.2Confident85.8Confident37 Ų3775.6 Ų75.631%0.30637%0.366SS..Hα-helixtrans-71.4-31.3174.900000112.5R16 W17 R24R16-A20 WeakPolarHBondContact O-CB 3.3Å; R16-A20 PolarHBondContact O-N 3.49Å; W17-A20 CarbonylContact O-C 3.58Å; W17-A20 WeakPolarHBondContact O-CA 3.44Å; W17-A20 PolarHBondContact O-N 3.25Å; A20-R24 WeakPolarHBondContact O-CG 3.2Å; A20-R24 PolarHBondContact O-N 3.11Å; A20-R24 PolarHBondContact O-NE 3.04Å
21D85.5Confident85Confident4 Ų479.9 Ų79.92%0.02138%0.379CS..Hα-helixtrans-74.1-43.6175.7-16664000112.1W17 C18 N23 R24 R25 R31W17-D21 HydrophobicContact CZ2-CB 4.44Å; W17-D21 WeakPolarHBondContact O-CB 3.49Å; W17-D21 PolarHBondContact O-N 3.21Å; C18-D21 PolarHBondContact O-N 3.24Å; D21-N23 VanDerWaalsContact C-N 3.27Å; D21-N23 PolarHBondContact O-N 3.2Å; D21-R24 CarbonylContact O-C 3.5Å; D21-R24 WeakPolarHBondContact O-CA 3.33Å; D21-R24 WeakPolarHBondContact O-CB 3.33Å; D21-R24 PolarHBondContact O-N 3.14Å; D21-R25 PolarHBondContact O-N 3.05Å; D21-R25 IonicContact OD2-NE 3.97Å; D21-R31 VanDerWaalsContact OD1-CA 3.27Å; D21-R31 WeakPolarHBondContact OD1-CA 3.46Å; D21-R31 WeakPolarHBondContact OD1-CB 3.28Å; D21-R31 IonicContact OD1-NE 2.93Å; D21-R31 IonicContact OD2-CZ 3.22Å; D21-R31 VanDerWaalsContact OD2-CZ 3.22Å; D21-R31 IonicContact OD2-NE 2.75Å; D21-R31 PolarHBondContact OD2-NE 2.71Å; D21-R31 IonicContact OD2-NH2 2.81Å; D21-R31 PolarHBondContact OD2-NH2 2.89Å
22A82.7Confident84.2Confident26 Ų2680 Ų8022%0.21539%0.387CS..Hα-helixtrans-58.4-39.5171.600000111.9C18 R26C18-A22 WeakPolarHBondContact O-CB 3.45Å; C18-A22 PolarHBondContact O-N 3.09Å; A22-R26 VanDerWaalsContact O-CG 3.32Å; A22-R26 WeakPolarHBondContact O-CG 3.21Å; A22-R26 PolarHBondContact O-N 3.14Å
23N81.7Confident83.5Confident80 Ų8081.1 Ų81.143%0.42841%0.407SS..Hα-helixtrans-72.4-31.3173.7-72-25000113N19 D21 R26 N27N19-N23 WeakPolarHBondContact O-CB 3.4Å; N19-N23 PolarHBondContact O-N 3.23Å; N19-N23 VanDerWaalsContact O-N 3.15Å; N19-N23 PolarHBondContact O-ND2 3.14Å; D21-N23 VanDerWaalsContact C-N 3.27Å; D21-N23 PolarHBondContact O-N 3.2Å; N23-R26 PolarHBondContact OD1-NH1 3.29Å; N23-R26 VanDerWaalsContact OD1-NH1 3.07Å; N23-N27 WeakPolarHBondContact O-CB 3.27Å; N23-N27 PolarHBondContact O-N 3.4Å; N23-N27 PolarHBondContact O-ND2 2.89Å
24R82.3Confident83.1Confident46 Ų4680.9 Ų80.917%0.17440%0.403CS..Hα-helixtrans-65.8-46.1169.7-85.8-178.4-77-91.20.7112.1A20 D21 R26 N27 G28 Q29A20-R24 WeakPolarHBondContact O-CG 3.2Å; A20-R24 PolarHBondContact O-N 3.11Å; A20-R24 PolarHBondContact O-NE 3.04Å; D21-R24 CarbonylContact O-C 3.5Å; D21-R24 WeakPolarHBondContact O-CA 3.33Å; D21-R24 WeakPolarHBondContact O-CB 3.33Å; D21-R24 PolarHBondContact O-N 3.14Å; R24-R26 PolarHBondContact O-N 3.24Å; R24-N27 CarbonylContact O-C 3.56Å; R24-N27 WeakPolarHBondContact O-CA 3.46Å; R24-N27 PolarHBondContact O-N 2.83Å; R24-G28 PolarHBondContact O-N 2.83Å; R24-G28 VanDerWaalsContact O-N 3.1Å; R24-Q29 HydrophobicContact CB-CB 3.99Å; R24-Q29 HydrophobicContact CG-CB 4Å; R24-Q29 PolarHBondContact O-N 3.43Å
25R80.8Confident82.7Confident121 Ų12186.4 Ų86.446%0.45744%0.439SS..Hα-helixtrans-54.1-49.9173.9-77.9178.1155.6-155.5-7.8111.3D21 N27 G28 M53D21-R25 PolarHBondContact O-N 3.05Å; D21-R25 IonicContact OD2-NE 3.97Å; R25-N27 PolarHBondContact O-N 3.03Å; R25-G28 PolarHBondContact O-N 3.35Å; R25-M53 PolarHBondContact NH1-SD 3.32Å
26R78.7Confident82.5Confident162 Ų16287.7 Ų87.761%0.61144%0.444SS*.Hα-helixtrans-59.1-27.1174.2-72.1170.8-175.91442.9114.1A22 N23 R24A22-R26 VanDerWaalsContact O-CG 3.32Å; A22-R26 WeakPolarHBondContact O-CG 3.21Å; A22-R26 PolarHBondContact O-N 3.14Å; N23-R26 PolarHBondContact OD1-NH1 3.29Å; N23-R26 VanDerWaalsContact OD1-NH1 3.07Å; R24-R26 PolarHBondContact O-N 3.24Å
27N80.3Confident82.2Confident118 Ų11881.7 Ų81.763%0.63143%0.425SS*.THydrogen-bonded Turntrans-969.3178.1-65.9-15.5000113.3N23 R24 R25 Q29N23-N27 WeakPolarHBondContact O-CB 3.27Å; N23-N27 PolarHBondContact O-N 3.4Å; N23-N27 PolarHBondContact O-ND2 2.89Å; R24-N27 CarbonylContact O-C 3.56Å; R24-N27 WeakPolarHBondContact O-CA 3.46Å; R24-N27 PolarHBondContact O-N 2.83Å; R25-N27 PolarHBondContact O-N 3.03Å; N27-Q29 HydrophobicContact CB-CG 4.38Å; N27-Q29 PolarHBondContact O-N 2.98Å
28G80.3Confident81.9Confident74 Ų7486 Ų8676%0.76345%0.45SS*.THydrogen-bonded Turntrans66.414.8-17800000115R24 R25R24-G28 PolarHBondContact O-N 2.83Å; R24-G28 VanDerWaalsContact O-N 3.1Å; R25-G28 PolarHBondContact O-N 3.35Å
29Q79.1Confident81.9Confident118 Ų11891 Ų9155%0.55147%0.473SS*.PPolyproline II helixtrans-89.4140.5-178.8-67.3-173.7-14.600111.3R24 N27R24-Q29 HydrophobicContact CB-CB 3.99Å; R24-Q29 HydrophobicContact CG-CB 4Å; R24-Q29 PolarHBondContact O-N 3.43Å; N27-Q29 HydrophobicContact CB-CG 4.38Å; N27-Q29 PolarHBondContact O-N 2.98Å
30R74.5Confident82Confident234 Ų23487.3 Ų87.388%0.88345%0.453SS*.PPolyproline II helixtrans-56.9145.3176.1-67.2-172177.3-152.6-2.4111
31R75.8Confident82Confident127 Ų12792.9 Ų92.948%0.47947%0.466SS..PPolyproline II helixtrans-58.1138.7175.6-49.8-17187.6-179.41.8109.4D21D21-R31 VanDerWaalsContact OD1-CA 3.27Å; D21-R31 WeakPolarHBondContact OD1-CA 3.46Å; D21-R31 WeakPolarHBondContact OD1-CB 3.28Å; D21-R31 IonicContact OD1-NE 2.93Å; D21-R31 IonicContact OD2-CZ 3.22Å; D21-R31 VanDerWaalsContact OD2-CZ 3.22Å; D21-R31 IonicContact OD2-NE 2.75Å; D21-R31 PolarHBondContact OD2-NE 2.71Å; D21-R31 IonicContact OD2-NH2 2.81Å; D21-R31 PolarHBondContact OD2-NH2 2.89Å
32L75.9Confident82Confident98 Ų9898.5 Ų98.551%0.51349%0.491SS..PPolyproline II helixtrans-89.6128.8167.1-67.3-174.6000107.7W17 Y34W17-L32 WeakPolarHBondContact CZ2-O 3.24Å; W17-L32 PolarHBondContact NE1-O 2.84Å; L32-Y34 PolarHBondContact O-N 3.18Å
33A75.9Confident82.2Confident105 Ų10597.3 Ų97.387%0.86848%0.481SS*.PPolyproline II helixtrans-61130174.200000110.4
34Y85.3Confident82.3Confident45 Ų4595.2 Ų95.218%0.17647%0.47CS..  trans-104130.2164.6178.8-107.1000107.5Y14 W17 L32 L36 A37 L40Y14-Y34 AromaticContact CD2-CD1 3.84Å; Y14-Y34 HydrophobicContact CD2-CD1 3.84Å; Y14-Y34 AromaticContact CD2-CE1 3.76Å; Y14-Y34 HydrophobicContact CD2-CE1 3.76Å; Y14-Y34 HydrophobicContact CE2-CD1 4.47Å; W17-Y34 HydrophobicContact CB-CD2 4.19Å; W17-Y34 HydrophobicContact CB-CG 4.36Å; W17-Y34 HydrophobicContact CD2-CG 4.12Å; W17-Y34 HydrophobicContact CE3-CG 4.48Å; W17-Y34 HydrophobicContact CG-CD2 4.2Å; W17-Y34 HydrophobicContact CG-CG 4.03Å; L32-Y34 PolarHBondContact O-N 3.18Å; Y34-L36 HydrophobicContact CD1-CB 4.22Å; Y34-L36 HydrophobicContact CE1-CB 3.78Å; Y34-L36 PolarHBondContact O-N 2.93Å; Y34-A37 VanDerWaalsContact O-CB 3.29Å; Y34-A37 WeakPolarHBondContact O-CB 3.41Å; Y34-A37 PolarHBondContact O-N 2.87Å; Y34-A37 VanDerWaalsContact O-N 3.11Å; Y34-L40 HydrophobicContact CE1-CD1 4.12Å
35P85Confident82Confident117 Ų117103.9 Ų103.976%0.7650%0.502SS*.THydrogen-bonded Turntrans-63.9-12-170.2-26.535.7000116.3
36L86.2Confident81.6Confident62 Ų62104.4 Ų104.433%0.32551%0.51SS..THydrogen-bonded Turntrans-12639.5177.5-61170.6000110.3L10 Y34 E39 L40L10-L36 HydrophobicContact CD1-CD1 3.77Å; L10-L36 HydrophobicContact CD2-CD1 4.49Å; L10-L36 HydrophobicContact CG-CD1 4.46Å; Y34-L36 HydrophobicContact CD1-CB 4.22Å; Y34-L36 HydrophobicContact CE1-CB 3.78Å; Y34-L36 PolarHBondContact O-N 2.93Å; L36-E39 WeakPolarHBondContact CA-OE2 3.49Å; L36-E39 VanDerWaalsContact CD2-OE1 3.3Å; L36-E39 WeakPolarHBondContact CD2-OE1 3.43Å; L36-L40 HydrophobicContact CB-CD1 4.13Å; L36-L40 HydrophobicContact CB-CG 4.28Å; L36-L40 WeakPolarHBondContact O-CB 2.92Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å
37A84.1Confident81.3Confident15 Ų1598.7 Ų98.712%0.12449%0.491CS..THydrogen-bonded Turntrans-71.7-40.9-173.600000112.2Y14 W17 Y34 R41Y14-A37 PolarHBondContact OH-O 3.06Å; W17-A37 HydrophobicContact CH2-CB 3.9Å; W17-A37 HydrophobicContact CZ2-CB 4.46Å; W17-A37 HydrophobicContact CZ3-CB 4.19Å; Y34-A37 VanDerWaalsContact O-CB 3.29Å; Y34-A37 WeakPolarHBondContact O-CB 3.41Å; Y34-A37 PolarHBondContact O-N 2.87Å; Y34-A37 VanDerWaalsContact O-N 3.11Å; A37-R41 PolarHBondContact O-N 3.43Å
38D84.4Confident80.4Confident123 Ų123100 Ų10066%0.65850%0.498SS*.THydrogen-bonded Turntrans-87.7-38.4-172-61.7-57.7000111.2L40 R41D38-L40 PolarHBondContact O-N 2.67Å; D38-R41 WeakPolarHBondContact O-CB 3.37Å; D38-R41 PolarHBondContact O-N 2.77Å
39E89.2Confident79.5Confident114 Ų11498 Ų9853%0.53347%0.47SS..THydrogen-bonded Turntrans-66.3-21.7173.9-50.59712800112.8L36 F42L36-E39 WeakPolarHBondContact CA-OE2 3.49Å; L36-E39 VanDerWaalsContact CD2-OE1 3.3Å; L36-E39 WeakPolarHBondContact CD2-OE1 3.43Å; E39-F42 WeakPolarHBondContact O-CD1 3.49Å; E39-F42 WeakPolarHBondContact O-CE1 3.4Å
40L88.8Confident78Confident7 Ų795.1 Ų95.14%0.03747%0.466CS..THydrogen-bonded Turntrans-104.3-0.3176.7-60.1-176.7000113.9W7 L10 Y14 Y34 L36 D38 F42 L43W7-L40 HydrophobicContact CH2-CD2 3.91Å; W7-L40 HydrophobicContact CZ3-CD2 3.9Å; L10-L40 HydrophobicContact CD2-CD1 3.82Å; L10-L40 HydrophobicContact CD2-CD2 3.87Å; L10-L40 HydrophobicContact CD2-CG 4.43Å; L10-L40 HydrophobicContact CG-CD1 3.97Å; Y14-L40 HydrophobicContact CD1-CB 4.12Å; Y14-L40 HydrophobicContact CD2-CB 3.74Å; Y14-L40 HydrophobicContact CD2-CD1 3.98Å; Y14-L40 HydrophobicContact CD2-CG 4.5Å; Y14-L40 HydrophobicContact CE1-CB 4.15Å; Y14-L40 WeakPolarHBondContact CE1-O 3.47Å; Y14-L40 HydrophobicContact CE2-CB 3.77Å; Y14-L40 HydrophobicContact CG-CB 3.91Å; Y14-L40 HydrophobicContact CG-CD1 3.92Å; Y34-L40 HydrophobicContact CE1-CD1 4.12Å; L36-L40 HydrophobicContact CB-CD1 4.13Å; L36-L40 HydrophobicContact CB-CG 4.28Å; L36-L40 WeakPolarHBondContact O-CB 2.92Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; D38-L40 PolarHBondContact O-N 2.67Å; L40-F42 HydrophobicContact CD2-CE1 4.36Å; L40-F42 PolarHBondContact O-N 2.98Å; L40-F42 VanDerWaalsContact O-N 3.09Å; L40-L43 HydrophobicContact CB-CD1 4.26Å; L40-L43 HydrophobicContact CD2-CD1 4.11Å; L40-L43 VanDerWaalsContact O-CB 3.24Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.12Å
41R85.6Confident76.6Confident154 Ų15491.7 Ų91.758%0.58147%0.465SS*.G310 helixtrans-58.7-25.4-179.6-137.217881.3171.38.3113.6Y14 A37 D38 L43 D44Y14-R41 WeakPolarHBondContact OH-CA 3.35Å; A37-R41 PolarHBondContact O-N 3.43Å; D38-R41 WeakPolarHBondContact O-CB 3.37Å; D38-R41 PolarHBondContact O-N 2.77Å; R41-L43 PolarHBondContact O-N 3.04Å; R41-D44 PolarHBondContact O-N 3.48Å
42F85.8Confident75.1Confident123 Ų12391.8 Ų91.854%0.53948%0.475SS..G310 helixtrans-63.3-20.8172.379.6-90.8000113.5W7 E39 L40 H46W7-F42 AromaticContact CH2-CZ 3.88Å; W7-F42 HydrophobicContact CH2-CZ 3.88Å; W7-F42 HydrophobicContact CZ2-CZ 4.27Å; E39-F42 WeakPolarHBondContact O-CD1 3.49Å; E39-F42 WeakPolarHBondContact O-CE1 3.4Å; L40-F42 HydrophobicContact CD2-CE1 4.36Å; L40-F42 PolarHBondContact O-N 2.98Å; L40-F42 VanDerWaalsContact O-N 3.09Å; F42-H46 PolarHBondContact O-CD2 3.35Å
43L86.5Confident73.7Confident1 Ų191.8 Ų91.81%0.00547%0.474CS..G310 helixtrans-76-20.2176.4-64.3178.9000113.2W7 R11 Y14 L40 R41 R45 H46 L47W7-L43 HydrophobicContact CH2-CD1 4.07Å; W7-L43 HydrophobicContact CH2-CD2 4.48Å; W7-L43 HydrophobicContact CZ2-CD1 4.19Å; W7-L43 HydrophobicContact CZ2-CD2 4.07Å; R11-L43 HydrophobicContact CB-CD1 4.47Å; R11-L43 HydrophobicContact CG-CD1 4.31Å; Y14-L43 HydrophobicContact CD1-CB 4.34Å; Y14-L43 HydrophobicContact CD1-CD1 4.39Å; Y14-L43 HydrophobicContact CE1-CB 4.19Å; L40-L43 HydrophobicContact CB-CD1 4.26Å; L40-L43 HydrophobicContact CD2-CD1 4.11Å; L40-L43 VanDerWaalsContact O-CB 3.24Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.12Å; R41-L43 PolarHBondContact O-N 3.04Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 2.86Å; L43-H46 CarbonylContact O-C 3.6Å; L43-H46 WeakPolarHBondContact O-CA 3.32Å; L43-H46 WeakPolarHBondContact O-CB 3.47Å; L43-H46 PolarHBondContact O-N 2.85Å; L43-L47 HydrophobicContact CB-CD1 3.88Å; L43-L47 HydrophobicContact CB-CG 4.29Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.39Å
44D83.7Confident71.9Confident36 Ų3690.1 Ų90.119%0.19346%0.459CS..Hα-helixtrans-56.8-44.9-176.5-74.1-29.7000111.5Y14 R41 H46 L47 I49Y14-D44 WeakPolarHBondContact CE1-OD1 3.33Å; Y14-D44 PolarHBondContact OH-OD1 2.76Å; Y14-D44 PolarHBondContact OH-OD2 3.35Å; R41-D44 PolarHBondContact O-N 3.48Å; D44-H46 PolarHBondContact O-N 3.35Å; D44-H46 VanDerWaalsContact O-N 3.14Å; D44-L47 PolarHBondContact O-N 2.92Å; D44-L47 VanDerWaalsContact O-N 3.11Å; D44-I49 VanDerWaalsContact OD1-CD1 3.28Å; D44-I49 WeakPolarHBondContact OD1-CD1 3.4Å
45R76.5Confident70.1Confident228 Ų22894.1 Ų94.186%0.8649%0.491SS*.Hα-helixtrans-59.6-22.8174.2-171.2176.3-178.3-173.91.8113.8L43L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 2.86Å
46H72.5Confident68.2Low132 Ų13295 Ų9561%0.61149%0.49SS*.Hα-helixtrans-99.8-14.6178.9-64.7-66.2000113.7F42 L43 D44F42-H46 PolarHBondContact O-CD2 3.35Å; L43-H46 CarbonylContact O-C 3.6Å; L43-H46 WeakPolarHBondContact O-CA 3.32Å; L43-H46 WeakPolarHBondContact O-CB 3.47Å; L43-H46 PolarHBondContact O-N 2.85Å; D44-H46 PolarHBondContact O-N 3.35Å; D44-H46 VanDerWaalsContact O-N 3.14Å
47L72.4Confident66.2Low41 Ų4198.4 Ų98.422%0.21551%0.508CS..Hα-helixtrans-94.1-6-177-72171.9000113.2R11 Y14 T15 L43 D44 I49R11-L47 HydrophobicContact CG-CD2 4.11Å; Y14-L47 HydrophobicContact CD1-CD1 3.78Å; Y14-L47 HydrophobicContact CE1-CD1 4.06Å; T15-L47 HydrophobicContact CG2-CD2 4.36Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.32Å; T15-L47 VanDerWaalsContact OG1-CD2 3.29Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.41Å; L43-L47 HydrophobicContact CB-CD1 3.88Å; L43-L47 HydrophobicContact CB-CG 4.29Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.39Å; D44-L47 PolarHBondContact O-N 2.92Å; D44-L47 VanDerWaalsContact O-N 3.11Å; L47-I49 HydrophobicContact CB-CD1 3.64Å; L47-I49 HydrophobicContact CB-CG1 3.85Å; L47-I49 HydrophobicContact CD1-CD1 3.82Å; L47-I49 HydrophobicContact CG-CD1 4.39Å; L47-I49 PolarHBondContact O-N 2.92Å
48N61.1Low64.1Low145 Ų145105.6 Ų105.678%0.77554%0.544SS*.THydrogen-bonded Turntrans51.434.1-174.6-58.4-77.1000112.3A50N48-A50 PolarHBondContact O-N 3.47Å; N48-A50 VanDerWaalsContact O-N 3.14Å
49I62.2Low62Low34 Ų34111.5 Ų111.517%0.17456%0.557CS.*  trans-68.5109.6166.6-62.9155.1000104.6C18 D44 L47C18-I49 HydrophobicContact CB-CD1 3.46Å; C18-I49 VanDerWaalsContact CB-CD1 3.46Å; C18-I49 HydrophobicContact CB-CG1 4.26Å; D44-I49 VanDerWaalsContact OD1-CD1 3.28Å; D44-I49 WeakPolarHBondContact OD1-CD1 3.4Å; L47-I49 HydrophobicContact CB-CD1 3.64Å; L47-I49 HydrophobicContact CB-CG1 3.85Å; L47-I49 HydrophobicContact CD1-CD1 3.82Å; L47-I49 HydrophobicContact CG-CD1 4.39Å; L47-I49 PolarHBondContact O-N 2.92Å
50A46.8Very low59.4Low57 Ų57110.9 Ų110.947%0.47157%0.565SS.*  trans-46.4145.5-158.700000114.8N48 D52N48-A50 PolarHBondContact O-N 3.47Å; N48-A50 VanDerWaalsContact O-N 3.14Å; A50-D52 PolarHBondContact O-N 3.07Å
51D44.6Very low56.9Low162 Ų162117 Ų11787%0.86660%0.603SS**SBendtrans-66.730.6179.4-46.6-88.5000114.6M53D51-M53 PolarHBondContact O-N 2.64Å
52D44.1Very low54.6Low129 Ų129115 Ų11569%0.6961%0.612SS**  trans-67.1-4.5159.1-79.1-25.4000111.5A50 A54A50-D52 PolarHBondContact O-N 3.07Å; D52-A54 PolarHBondContact O-N 3.08Å
53M46.9Very low52Low98 Ų98114.7 Ų114.748%0.48363%0.626SS.*  trans-75.470165.6-64.4-63.5-168.200110.5R25 D51R25-M53 PolarHBondContact NH1-SD 3.32Å; D51-M53 PolarHBondContact O-N 2.64Å
54A37.9Very low49.5Very low69 Ų69122.6 Ų122.657%0.5767%0.668SS**  trans-57.8133.815800000108.7D52 D56D52-A54 PolarHBondContact O-N 3.08Å; A54-D56 PolarHBondContact O-N 3.4Å
55P47.8Very low47.6Very low130 Ų130129 Ų12984%0.84469%0.694SS**SBendtrans-80.245-175.534.9-37.2000112.8
56D45.3Very low45.7Very low136 Ų136125.2 Ų125.273%0.72769%0.691SS**  trans-135.888.5-175.7-72.3-66.1000110.2A54A54-D56 PolarHBondContact O-N 3.4Å
57D44.1Very low43.9Very low132 Ų132130.1 Ų130.171%0.70670%0.704SS**  trans-174.34.8141-123.6-19.2000116.5R59D57-R59 PolarHBondContact O-N 2.92Å
58D40Very low42Very low167 Ų167136 Ų13689%0.89374%0.736SS**SBendtrans-82.935.7176.3-75.6-45.8000113.5
59R40.7Very low40.8Very low247 Ų247137 Ų13793%0.93274%0.741SS**  trans-131.557.9165.2-90.6-165.8173.7-172-0.4111.3D57D57-R59 PolarHBondContact O-N 2.92Å
60S33.8Very low39.3Very low100 Ų100142.3 Ų142.370%0.69977%0.77SS**  trans-134.664.1172-79.20000112.3
61V37.6Very low38.7Very low136 Ų136149.4 Ų149.482%0.82478%0.784SS**  trans-85.4131.9158.1-179.30000108
62S35.6Very low37.9Very low111 Ų111147 Ų14778%0.77677%0.771SS**  trans49.791.6169.759.60000117.9
63S31.8Very low37.4Very low118 Ų118145.4 Ų145.483%0.82577%0.771SS**  trans-153.375.6146.3-163.60000110.9
64D34Very low36.5Very low166 Ų166149.5 Ų149.589%0.88879%0.789SS**  trans-116.159.8168.8-163.62.4000109
65K43.2Very low36.2Very low170 Ų170149.4 Ų149.474%0.73979%0.794SS**  trans-150.7162.4172.6-90.6-162.1174.2-172.80109.2
66D37.5Very low35.4Very low150 Ų150149.4 Ų149.480%0.80279%0.792SS**  trans67.652.3162.1-48.4-27.1000116.8
67R34Very low34.5Very low235 Ų235148.9 Ų148.989%0.88779%0.789SS**  trans-133.895.7136.8-92-169.5174.7148.61.9111.3
68D33.8Very low33.9Very low164 Ų164150.7 Ų150.788%0.87779%0.793SS**  -156.6139.496.5-95.3-23.1000110.2
69N35.1Very low33.4Very low165 Ų165150.7 Ų150.788%0.88279%0.787SS**  trans-103.6155.1-175.1-105-17.9000111.5
70N31.6Very low32.7Very low146 Ų146143.8 Ų143.878%0.78177%0.772SS**  trans97150.9146.4-150.413.3000118.2
71R32.8Very low32.4Very low207 Ų207147.9 Ų147.978%0.78178%0.78SS**  trans76.9140.2177.3-45.4-17088.1145.312.9116.5
72D29Very low31.9Very low111 Ų111146 Ų14659%0.59478%0.779SS**  cis-160.4151-19.7-97.2-28.3000107
73S32.1Very low31.5Very low96 Ų96146 Ų14667%0.67178%0.779SS**  trans58.4141.3161.1-79.10000122.6
74E29.4Very low31.4Very low184 Ų184148.7 Ų148.786%0.8678%0.783SS**  trans47.5129.2137.5-63.7151.6-123.500120.9
75G30.9Very low31.2Very low67 Ų67150.2 Ų150.269%0.69178%0.782SS**  cis161.6-165.3-0.400000112.3
76V30.6Very low30.6Very low130 Ų130150 Ų15079%0.78878%0.783SS**  trans59.291.6156.3-168.70000118.3
77D26.9Very low30.1Very low125 Ų125153.5 Ų153.567%0.66879%0.785SS**  49.1138.8115.1-53.7-44.8000124.4
78H30.6Very low29.9Very low170 Ų170146.1 Ų146.179%0.78778%0.775SS**  trans49.6119143.4-55-31.7000122.2
79H31.2Very low29.9Very low167 Ų167143.4 Ų143.477%0.77377%0.769SS**  -178.4116.4105-136.468.3000109.1
80T25.7Very low29.5Very low102 Ų102139.8 Ų139.863%0.62676%0.756SS**  60.3132.768.153.80000118.5
81Q26.5Very low29.3Very low186 Ų186139 Ų13987%0.86976%0.757SS**  trans64.9117.5163-61.1-164.122.300122.3
82A28.1Very low29Very low96 Ų96133.3 Ų133.379%0.79375%0.749SS**  -178.8126.8111.500000107.8
83S25.7Very low29.2Very low110 Ų110137.3 Ų137.377%0.76976%0.761SS**  cis73.597.548.4-164.50000114.5
84L31.2Very low28.9Very low176 Ų176139.8 Ų139.892%0.92177%0.766SS**  -166.3140.3124.3-104.7167000110.8
85K29.1Very low28.6Very low197 Ų197136.2 Ų136.286%0.85776%0.756SS**  trans-154.6114.8-178.3174-167.1174.1-176.40110.3
86E30.2Very low28.4Very low166 Ų166141 Ų14178%0.77676%0.758SS**  trans-172.2165.6150.7-109.7-164.5162.800107.4
87R26.6Very low28.3Very low223 Ų223142 Ų14284%0.84275%0.754SS**  cis-157.9154.523.6-155.9161.9173.1174.6-0.3107
88A30.5Very low28.3Very low80 Ų80141.8 Ų141.866%0.66176%0.757SS**  cis-169.2174.8-15.200000105.2
89S33.8Very low28.3Very low108 Ų108142.4 Ų142.476%0.75576%0.758SS**  cis-147.9-173.5-12.146.40000105.2
90S26.6Very low28.2Very low89 Ų89141.8 Ų141.862%0.62276%0.759SS**  cis-159.4136.120-200000107.7
91T27.5Very low28.2Very low129 Ų129140.6 Ų140.679%0.79176%0.76SS**  43.9133.9103.767.90000116.1
92S27.5Very low28.2Very low88 Ų88137 Ų13762%0.61576%0.755SS**  cis178.3157.9-1.1500000111.7
93K32.3Very low28.3Very low194 Ų194141 Ų14184%0.84376%0.757SS**  trans64.4166.1151-73.4169-178.61800116.2
94L25.1Very low28.5Very low148 Ų148141.9 Ų141.978%0.77576%0.758SS**  cis-174.8167.8-31.1-174.774.3000105.9
95V23.2Very low28.3Very low109 Ų109144.5 Ų144.566%0.66176%0.756SS**  trans86.3124.2157.1-166.60000118.7
96K28Very low28.3Very low167 Ų167142.5 Ų142.573%0.72675%0.747SS**  trans80.6115147.5-83.5179.7-178.5-167.80125
97E27.3Very low28.3Very low151 Ų151141.2 Ų141.271%0.70674%0.741SS**  65.5147.3108.6-90-174.8114.500124.1
98V28.5Very low28.4Very low121 Ų121139.3 Ų139.373%0.73374%0.739SS**  trans80.3121.7147.91710000120.5
99K30.2Very low28.3Very low183 Ų183140.2 Ų140.280%0.79674%0.74SS**  trans9.8140.9150.6-75.7179.6174.8177.10122.4
100L27.6Very low28.1Very low155 Ų155139.7 Ų139.781%0.81274%0.737SS**  trans83123.1134-75.5167.2000121.8
101A25.9Very low28.4Very low76 Ų76142.8 Ų142.863%0.62874%0.741SS**  65.7103.4126.900000122.9
102S26.9Very low28.5Very low111 Ų111141.5 Ų141.578%0.77673%0.73SS**  81.5169.1121.181.60000121.1
103Q31.2Very low28.9Very low180 Ų180144.5 Ų144.584%0.84173%0.731SS**  trans74.9113169.3-132.3163.783.500115.7
104V29.3Very low28.8Very low129 Ų129145 Ų14578%0.78273%0.728SS**  cis107.5124.328.9165.30000112.6
105R28Very low29.3Very low230 Ų230143.9 Ų143.987%0.86872%0.719SS**  trans-163.3119.2144-104.7165.8-174.3179.71.8107.8
106K29.2Very low29.3Very low155 Ų155144.8 Ų144.867%0.67472%0.72SS**  77.6136.694.1-94.4-166.8169.5-129.80113.3
107E28.4Very low29.2Very low139 Ų139148 Ų14865%0.6573%0.728SS**  cis-162.1157.74.7-164.4146.6-137.600114.1
108K29.8Very low29.1Very low183 Ų183149.7 Ų149.780%0.79674%0.736SS**  trans108.6112165-66.5-171.2176-179.40115
109S27.3Very low29.1Very low99 Ų99151.1 Ų151.169%0.69274%0.739SS**  67.9139.363.580.20000112.9
110S29.6Very low29.8Very low98 Ų98148.1 Ų148.169%0.68574%0.739SS**  cis-178.8160.8-7.143.80000106.7
111Q32.6Very low29.7Very low154 Ų154143.9 Ų143.972%0.7273%0.732SS**  cis-141.9-135.25.4-143.1156.1-113.600106.7
112D30.1Very low30.1Very low102 Ų102146.9 Ų146.955%0.54574%0.738SS.*  cis-153.7132.9-12.8-119.8-30.9000105.9
113K35.9Very low30.5Very low150 Ų150148.9 Ų148.965%0.65273%0.732SS**  75119.5103.7-76.5-173.3-166.5-175.50117.5
114R31.8Very low30.7Very low206 Ų206147.4 Ų147.478%0.77773%0.726SS**  75164.361.1-66.9-164.9-163.9-167.8-0.4112
115E33.6Very low30.8Very low124 Ų124151.3 Ų151.358%0.57973%0.726SS**  cis-125.1-171.62.4-130.294.9-164.200107.6
116N25Very low30.9Very low128 Ų128145 Ų14568%0.68472%0.717SS**  cis-146.8-151.85.1-162.360.8000109.5
117W25.3Very low31Very low234 Ų234147.2 Ų147.289%0.88672%0.721SS**  trans-124.3165.9167.7-7537.2000110.4
118E25.6Very low31.2Very low186 Ų186149.7 Ų149.787%0.86973%0.73SS**  179.6174.8113.5-97.3179.1171.400114.5
119N28.4Very low31.6Very low152 Ų152150.6 Ų150.681%0.81373%0.734SS**  trans-132.6-167.4-168.4-139.75.5000107.5
120P45Very low31.6Very low120 Ų120151.1 Ų151.178%0.77974%0.738SS**  cis-132.2-177.9-10.242.2-25.3000114.9
121G25.7Very low31.8Very low66 Ų66149.9 Ų149.968%0.6873%0.733SS**  trans16396.3156.500000117.2
122D33.1Very low31.8Very low138 Ų138151.5 Ų151.574%0.73874%0.741SS**  trans42.4140.2141.6-79.910.4000122.2
123K34.8Very low31.7Very low154 Ų154154 Ų15467%0.6775%0.749SS**  cis-165.5143.423.8-122.5165.8-170.486.20111.2
124Q35.4Very low31.7Very low149 Ų149154.4 Ų154.470%0.69675%0.751SS**  trans64155.2155-63.6-178.1-8.200117.5
125R31.5Very low31.8Very low210 Ų210150.9 Ų150.979%0.79275%0.747SS**  cis-169.7173.6-7.8-107.5172.1173.8-179.9-4.1106.3
126S31.2Very low31.6Very low98 Ų98150.9 Ų150.969%0.68575%0.751SS**  cis177.9145.4-39550000108.9
127R30.5Very low31.7Very low201 Ų201151.4 Ų151.476%0.75875%0.754SS**  cis-176.3105.9-8168.7-131.265.8-176.3-2.2110.8
128K32.9Very low32.4Very low192 Ų192147 Ų14784%0.83575%0.747SS**  trans68.6148169.7-57.7173.9-177.7-174.70115.8
129K37.8Very low33Very low201 Ų201146.4 Ų146.487%0.87474%0.744SS**  cis92.2122.425.6-172.8177179.1176.20115.8
130S28.6Very low33.2Very low111 Ų111148.1 Ų148.178%0.77675%0.747SS**  trans-134.7-167.3171530000110.6
131A33.8Very low32.7Very low71 Ų71147.2 Ų147.259%0.58774%0.744SS**  trans-163.1168.5172.100000111.8
132E31Very low33.1Very low189 Ų189151.4 Ų151.488%0.88375%0.75SS**  trans66.6162.6164.1-64.6150.2118.800115.8
133E29.4Very low32.9Very low153 Ų153152.5 Ų152.572%0.71575%0.751SS**  cis-151.6144.417.2177.8155.6-159.900113.7
134K34.5Very low33.4Very low159 Ų159150.2 Ų150.269%0.69175%0.752SS**  trans27.5142.9150.8-72.7176.3-170.1147.50128.3
135L33.6Very low33.3Very low132 Ų132150 Ų15069%0.69175%0.751SS**  81.6138.9125-70.4174.6000125.9
136D30Very low33.3Very low124 Ų124147.1 Ų147.166%0.66374%0.744SS**  trans75.7145.8138.8-58.4-21.6000126.5
137D27.6Very low33.4Very low139 Ų139148.1 Ų148.174%0.74375%0.746SS**  trans62.6141.6162.8-63.7-20.4000120.5
138L39.4Very low34Very low141 Ų141142.6 Ų142.674%0.73874%0.737SS**  cis75.6143.947.6-76.2165.9000114.3
139E37.7Very low34Very low175 Ų175141.3 Ų141.382%0.81873%0.733SS**  cis-111.4-107.10.4-162.5134.8-123.100115
140E32.9Very low33.7Very low187 Ų187138.6 Ų138.687%0.87473%0.728SS**  cis-157.6-171.9-0.5-155.3174.8-17000110.1
141S35.6Very low33.6Very low102 Ų102140 Ų14071%0.71373%0.727SS**  trans-105-161.3-166.6-43.30000115.8
142D33Very low33.4Very low153 Ų153140.6 Ų140.682%0.81873%0.727SS**  cis-161.3-176.41.7-134.8-43.7000114.1
143E29.9Very low33.3Very low161 Ų161140.2 Ų140.275%0.75272%0.722SS**  trans-76.4173.3177.5-135.1-170.4-129.100114.9
144P45.9Very low33.3Very low107 Ų107139.1 Ų139.170%0.69572%0.721SS**  -161.4155.472.341.3-18.2000121.7
145E33.1Very low33.1Very low144 Ų144139.1 Ų139.167%0.67372%0.723SS**  trans63.1174.7143-72.3-155120.700122
146K31.4Very low33Very low149 Ų149137.8 Ų137.865%0.64873%0.725SS**  cis-161.3140.4-1.1-128.8-176.1177.268.80114.2
147V33.1Very low33.2Very low119 Ų119139 Ų13972%0.72173%0.731SS**  40.8144.8121.4166.50000122.9
148P42.8Very low33.4Very low86 Ų86138.1 Ų138.156%0.55873%0.726SS**  cis-149.7-171.9-25.344.8-24.3000117.5
149E33.5Very low33.2Very low164 Ų164138.6 Ų138.677%0.76673%0.725SS**  trans66.7167.5150.8-73.3157-117.900118.3
150L30.2Very low33Very low145 Ų145137.3 Ų137.376%0.75972%0.724SS**  cis-168164.8-21.2-91.6162.1000106.1
151D27Very low33.4Very low140 Ų140136.2 Ų136.275%0.74972%0.724SS**  cis-173.1169.5-20.8-178.336.2000111.1
152S30.8Very low33.4Very low84 Ų84139.2 Ų139.259%0.58773%0.726SS**  trans78.1112.4151.2-145.50000123.7
153F27Very low33.4Very low181 Ų181138.3 Ų138.379%0.79473%0.731SS**  96.7142.7129.8-110.4-114.8000125.1
154L30.7Very low33.6Very low130 Ų130138.8 Ų138.868%0.68174%0.735SS**  trans70.5148.8171.1-51179.9000116.6
155Q29.9Very low33.1Very low158 Ų158141.3 Ų141.374%0.73874%0.743SS**  cis-162.7159.3-11.3-120.9165.6-27.700110
156S31.6Very low33.4Very low104 Ų104143.4 Ų143.473%0.72775%0.752SS**  trans38.1124.8159.952.30000120.5
157D34.9Very low33.7Very low150 Ų150145.2 Ų145.280%0.80276%0.763SS**  68.7138.153.7-152.715.1000113.8
158N31.2Very low33.9Very low120 Ų120147.1 Ų147.164%0.64276%0.764SS**  trans90.6144.7-164.4-69.531.3000116.8
159E35.8Very low33.7Very low151 Ų151151.1 Ų151.171%0.70678%0.78SS**  cis-157.2160.2-15.3-113.2162.2-171.500108.8
160D32.8Very low34Very low148 Ų148151 Ų15179%0.79178%0.784SS**  trans21.9135.7152.8-53.2-14.7000123.5
161D41.2Very low34.4Very low164 Ų164151 Ų15188%0.87779%0.785SS**  -154.6144.5109.8-149.2-11.8000111.4
162E36.2Very low35.1Very low165 Ų165152 Ų15277%0.77179%0.79SS**  trans-110.9142.3-175.9-71.7-164.1137.500112.9
163C31.6Very low35.8Very low135 Ų135157.7 Ų157.791%0.91281%0.807SS**PPolyproline II helixtrans-75.9126179.2-52.50000112.2
164M35.7Very low36.2Very low170 Ų170152 Ų15284%0.83780%0.799SS**PPolyproline II helixtrans-92.8149.9172.6-76.2-73.4165.300112.9
165D34Very low36.1Very low160 Ų160155.6 Ų155.686%0.85681%0.81SS**PPolyproline II helixtrans-77.5154.1176.1-62.2-67.5000112.6
166E40.5Very low36.3Very low188 Ų188154.9 Ų154.988%0.87981%0.811SS**  trans-13669.5174.9-160.1167.6-141.400112.8H168E166-H168 PolarHBondContact O-N 3.41Å
167E37.2Very low36.2Very low188 Ų188158.6 Ų158.688%0.87981%0.814SS**  trans-81.783.5162.9-74.4-167.7149.600110.5
168H37.1Very low36.1Very low158 Ų158157.6 Ų157.673%0.73181%0.809SS**  trans-151.484.2174.1-95.9-61.8000114.3E166E166-H168 PolarHBondContact O-N 3.41Å
169L38.2Very low36.3Very low170 Ų170158.6 Ų158.689%0.8981%0.814SS**  trans-151.524.3165.1-97.7-165000116.2
170D39.7Very low36.3Very low161 Ų161159.6 Ų159.686%0.86182%0.818SS**  trans-88.5-13173.8-75.8-44.9000114L172D170-L172 PolarHBondContact O-N 2.81Å
171D39.8Very low36.3Very low146 Ų146160.9 Ų160.978%0.78182%0.819SS**THydrogen-bonded Turntrans-93.257.7-175.8-75.6-56.1000114.2
172L40.4Very low35.8Very low162 Ų162157.3 Ų157.385%0.84881%0.807SS**THydrogen-bonded Turntrans-145.626.7163.3-146.471.8000115.3D170 G174D170-L172 PolarHBondContact O-N 2.81Å; L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.03Å
173E46.7Very low35.3Very low203 Ų203157.7 Ų157.795%0.94981%0.814SS**  trans-75.285162.6-173.9166.1-134.300109.2
174G35.7Very low35.1Very low60 Ų60159 Ų15962%0.61981%0.807SS**  trans-16435-163.900000117.5L172L172-G174 VanDerWaalsContact C-N 3.32Å; L172-G174 PolarHBondContact O-N 3.03Å
175F28.9Very low34.9Very low207 Ų207159.7 Ų159.791%0.90881%0.808SS**  trans-140.3107.7161-117.5-79.7000112.1
176D33.5Very low34.6Very low142 Ų142161.3 Ų161.376%0.75981%0.808SS**  trans-75.8140.7173-1718000110.1
177F29.8Very low34Very low183 Ų183161 Ų16180%0.80381%0.807SS**  trans-150.985.6167.9-149.4-80.5000111.5L179F177-L179 PolarHBondContact O-N 3.36Å
178D32.8Very low33.6Very low128 Ų128159.8 Ų159.868%0.68481%0.805SS**  trans-58.4120.3170-178.314.4000111.7
179L34.8Very low33.1Very low142 Ų142158.4 Ų158.474%0.74381%0.808SS**  trans-153.880156.5-162.164.7000112.5F177 Q181F177-L179 PolarHBondContact O-N 3.36Å; L179-Q181 PolarHBondContact O-N 3.24Å
180E34.8Very low33.1Very low172 Ų172156 Ų15680%0.80480%0.803SS**  trans-59112.6147.6-77.6-161.714000110.1
181Q34.4Very low32.5Very low175 Ų175156.2 Ų156.282%0.81880%0.798SS**  trans-158.1142.2132.6-117.6149.892.500115L179L179-Q181 PolarHBondContact O-N 3.24Å
182S29.2Very low31.9Very low88 Ų88157.1 Ų157.162%0.61580%0.795SS**  trans-69139.6-175.956.50000113Q184S182-Q184 PolarHBondContact O-N 3.4Å
183N26.4Very low31.2Very low173 Ų173154.4 Ų154.493%0.92579%0.79SS**  trans-61.3105.3149.4-81-94.5000107.8
184Q28.5Very low30.3Very low162 Ų162152 Ų15276%0.75778%0.783SS**  trans-96.2132.1172.9-170.6170.498.900109.3S182S182-Q184 PolarHBondContact O-N 3.4Å
185E30.4Very low30Very low185 Ų185155.8 Ų155.886%0.86478%0.784SS**  trans-62.4136.1-175.4-59.2167.3122.100111.9
186K28.9Very low30Very low195 Ų195153.1 Ų153.185%0.84877%0.772SS**  trans-153.892.1155.8-117.8156.5-168.61650113.3
187E27.3Very low29.9Very low182 Ų182152.6 Ų152.685%0.8577%0.769SS**  trans-50.7132.8149.4172.3-178.9-146.700110.7
188L28Very low29.8Very low162 Ų162150.6 Ų150.685%0.84877%0.767SS**  trans-172151141.1-105.2170.3000111.7
189T26.4Very low29.8Very low129 Ų129150.4 Ų150.479%0.79177%0.771SS**  trans-98.4166.1-176.238.60000113.3
190P39.4Very low29.6Very low120 Ų120151.5 Ų151.578%0.77978%0.777SS**  trans-102.6155.7-153.938-35.8000116.5
191E26.7Very low29.5Very low165 Ų165147.9 Ų147.977%0.77177%0.771SS**  trans-144.6130.7156.8-81.6-135.5108.500114.5
192K26.8Very low29.4Very low165 Ų165145.2 Ų145.272%0.71777%0.767SS**  trans35.3119.1143.5-67.1-178.8-170.8117.10124
193S26.6Very low29.5Very low104 Ų104148.4 Ų148.473%0.72778%0.782SS**  40136.5129.663.20000121.2
194L26.9Very low29.8Very low153 Ų153144.6 Ų144.680%0.80177%0.769SS**  -162.7-177.154.2-160.469.3000112.1
195E28.8Very low30.4Very low140 Ų140145 Ų14565%0.65477%0.771SS**  trans-43.2163.2174.9-54.6175.880.200116.7
196K30.3Very low30.8Very low150 Ų150138.8 Ų138.865%0.65275%0.747SS**  cis-164.7146.530.9-147.6174.4-162820112.9
197N30.5Very low31.9Very low131 Ų131135.5 Ų135.570%0.70174%0.735SS**  trans19.6131.2155-51.43.6000120
198N28.8Very low33.4Very low141 Ų141132.6 Ų132.675%0.75472%0.719SS**  -164.215057.6-94.6-44.7000114.6
199T32.4Very low34.9Very low124 Ų124129.9 Ų129.976%0.76170%0.701SS**  trans19117.6151.758.50000121.7
200D31Very low36.5Very low165 Ų165127.8 Ų127.888%0.88269%0.688SS**  -148.3163.8111.2-139.8-22.3000111.3
201S31Very low37.3Very low96 Ų96129.1 Ų129.167%0.67168%0.681SS**  trans-130.6160-167.9-71.70000112.5
202T34.3Very low38.6Very low119 Ų119128.8 Ų128.873%0.7368%0.68SS**  cis-168.2150-15.927.60000107.3
203V29.7Very low39.8Very low156 Ų156123.7 Ų123.795%0.94566%0.662SS**  trans-132.6120.8148.4178.80000107.7
204S32.6Very low41Very low93 Ų93131 Ų13165%0.6567%0.674SS**  trans-106.4131.7-165.6-167.20000112.9
205Q41Very low42.3Very low169 Ų169126 Ų12679%0.7965%0.648SS**  trans-86.5144.9172.9-74.2-80-11.900110.5E207Q205-E207 PolarHBondContact O-N 2.82Å; Q205-E207 VanDerWaalsContact O-N 3.09Å
206P40.4Very low43.7Very low55 Ų55124.7 Ų124.736%0.35765%0.652SS.*  trans-73102.9-178.629.2-34.1000112
207E51.1Low44.7Very low127 Ų127127.2 Ų127.259%0.59366%0.657SS**  trans-77.2125.5176.9-176.9-172.3-123.500112Q205 K224Q205-E207 PolarHBondContact O-N 2.82Å; Q205-E207 VanDerWaalsContact O-N 3.09Å; E207-K224 VanDerWaalsContact O-CE 3.28Å; E207-K224 WeakPolarHBondContact O-CE 3.45Å; E207-K224 WeakPolarHBondContact O-CG 3.29Å; E207-K224 VanDerWaalsContact OE2-CE 3.31Å; E207-K224 WeakPolarHBondContact OE2-CE 3.11Å; E207-K224 IonicContact OE2-NZ 2.65Å; E207-K224 PolarHBondContact OE2-NZ 3.43Å
208F58.3Low45.6Very low120 Ų120126.1 Ų126.153%0.52665%0.651SS.*EExtended strand (participates in β ladder)trans-91.4150.9170.8-65.6-102.1000110.7I221 G222 R223F208-I221 HydrophobicContact CB-CG2 4.43Å; F208-I221 HydrophobicContact CD1-CG2 4.13Å; F208-G222 WeakPolarHBondContact CA-O 3.29Å; F208-R223 HydrophobicContact CD1-CB 3.92Å; F208-R223 HydrophobicContact CD1-CG 4.44Å; F208-R223 HydrophobicContact CE1-CB 3.68Å; F208-R223 HydrophobicContact CE1-CG 4Å; F208-R223 HydrophobicContact CZ-CB 4.37Å; F208-R223 HydrophobicContact CZ-CG 4.18Å
209F61.2Low46.9Very low106 Ų106124.4 Ų124.447%0.46564%0.641SS.*EExtended strand (participates in β ladder)trans-127.5143.4168.664.1-90.5000111.8K211 I221 G222F209-K211 HydrophobicContact CD2-CB 4.44Å; F209-I221 WeakPolarHBondContact O-CA 3.11Å; F209-G222 PolarHBondContact N-O 3.37Å; F209-G222 PolarHBondContact O-N 3.05Å; F209-G222 VanDerWaalsContact O-N 3.1Å
210V58.4Low48Very low85 Ų85124.1 Ų124.152%0.51563%0.634SS.*EExtended strand (participates in β ladder)trans-103114.7173.9-174.50000108Q212 L219 I221V210-Q212 PolarHBondContact O-N 3.34Å; V210-L219 HydrophobicContact CG1-CB 4.12Å; V210-L219 HydrophobicContact CG1-CD1 4.39Å; V210-L219 HydrophobicContact CG1-CD2 4.03Å; V210-L219 HydrophobicContact CG1-CG 4.41Å; V210-I221 HydrophobicContact CG2-CD1 4.39Å; V210-I221 HydrophobicContact CG2-CG1 4.18Å
211K57.4Low49.4Very low148 Ų148121.5 Ų121.564%0.64362%0.618SS**EExtended strand (participates in β ladder)trans-94.694.4178.6-158.1171.2-173.4177.60109.3F209 T213 I220F209-K211 HydrophobicContact CD2-CB 4.44Å; K211-T213 PolarHBondContact O-N 2.84Å; K211-I220 PolarHBondContact N-O 3.18Å
212Q52.7Low50.4Low158 Ų158117.9 Ų117.974%0.73860%0.596SS**EExtended strand (participates in β ladder)trans-63.5122177.7-169.7175.120.300110V210 L219V210-Q212 PolarHBondContact O-N 3.34Å; Q212-L219 HydrophobicContact CB-CD2 4.47Å; Q212-L219 HydrophobicContact CG-CD2 4.3Å
213T52.7Low51.2Low57 Ų57119.6 Ų119.635%0.3559%0.589SS.*  trans-91.9176.3174.772.20000110.6K211 D215 L218K211-T213 PolarHBondContact O-N 2.84Å; T213-D215 VanDerWaalsContact C-N 3.26Å; T213-D215 PolarHBondContact O-N 3.46Å; T213-D215 PolarHBondContact OG1-O 3.17Å; T213-L218 PolarHBondContact OG1-O 3.44Å
214R51Low52.2Low258 Ų258116.5 Ų116.597%0.97456%0.563SS**SBendtrans-74.8-8.5178.5-83.5-177.7172.3156.2-2.8114.4
215D55.8Low52.2Low49 Ų49118.1 Ų118.126%0.26257%0.565SS.*SBendtrans-98.2121.8166.9-169-43000109T213 R217 L218T213-D215 VanDerWaalsContact C-N 3.26Å; T213-D215 PolarHBondContact O-N 3.46Å; T213-D215 PolarHBondContact OG1-O 3.17Å; D215-R217 PolarHBondContact O-N 3.03Å; D215-R217 VanDerWaalsContact OD1-CB 3.27Å; D215-R217 WeakPolarHBondContact OD1-CB 3.21Å; D215-R217 WeakPolarHBondContact OD1-CG 3.46Å; D215-R217 IonicContact OD1-CZ 3.49Å; D215-R217 PolarHBondContact OD1-N 3.45Å; D215-R217 IonicContact OD1-NE 3.43Å; D215-R217 PolarHBondContact OD1-NE 3.02Å; D215-R217 IonicContact OD1-NH2 2.71Å; D215-R217 IonicContact OD2-CZ 2.98Å; D215-R217 IonicContact OD2-NE 3.81Å; D215-R217 PolarHBondContact OD2-NE 3.44Å; D215-R217 IonicContact OD2-NH2 3.82Å; D215-R217 PolarHBondContact OD2-NH2 2.95Å; D215-L218 PolarHBondContact O-N 2.99Å
216P56.5Low51.8Low112 Ų112114.8 Ų114.873%0.72756%0.56SS**THydrogen-bonded Turntrans-65.5-6.3-17928.1-35.9000114.3
217R52.6Low51.3Low203 Ų203119.1 Ų119.177%0.76659%0.585SS**THydrogen-bonded Turntrans-94.4-4.9179-58.1169.9-65.9171.44.5113.9D215D215-R217 PolarHBondContact O-N 3.03Å; D215-R217 VanDerWaalsContact OD1-CB 3.27Å; D215-R217 WeakPolarHBondContact OD1-CB 3.21Å; D215-R217 WeakPolarHBondContact OD1-CG 3.46Å; D215-R217 IonicContact OD1-CZ 3.49Å; D215-R217 PolarHBondContact OD1-N 3.45Å; D215-R217 IonicContact OD1-NE 3.43Å; D215-R217 PolarHBondContact OD1-NE 3.02Å; D215-R217 IonicContact OD1-NH2 2.71Å; D215-R217 IonicContact OD2-CZ 2.98Å; D215-R217 IonicContact OD2-NE 3.81Å; D215-R217 PolarHBondContact OD2-NE 3.44Å; D215-R217 IonicContact OD2-NH2 3.82Å; D215-R217 PolarHBondContact OD2-NH2 2.95Å
218L49.4Very low50.2Low107 Ų107118.4 Ų118.456%0.5660%0.595SS**  trans-123.6100.4-176.7-66.4177.1000112T213 D215T213-L218 PolarHBondContact OG1-O 3.44Å; D215-L218 PolarHBondContact O-N 2.99Å
219L55.8Low48.8Very low106 Ų106117.7 Ų117.756%0.55561%0.605SS**EExtended strand (participates in β ladder)trans-106.5119.1170.7-61.5-178.9000109.7V210 Q212V210-L219 HydrophobicContact CG1-CB 4.12Å; V210-L219 HydrophobicContact CG1-CD1 4.39Å; V210-L219 HydrophobicContact CG1-CD2 4.03Å; V210-L219 HydrophobicContact CG1-CG 4.41Å; Q212-L219 HydrophobicContact CB-CD2 4.47Å; Q212-L219 HydrophobicContact CG-CD2 4.3Å
220I54.8Low47.1Very low118 Ų118122.5 Ų122.561%0.60563%0.626SS**EExtended strand (participates in β ladder)trans-100124.9173.4-57.8176.6000108.1K211K211-I220 PolarHBondContact N-O 3.18Å
221I61.8Low45.7Very low109 Ų109121.9 Ų121.956%0.55963%0.629SS**EExtended strand (participates in β ladder)trans-111.3117.9-179.5-50-174.2000108.8F208 F209 V210F208-I221 HydrophobicContact CB-CG2 4.43Å; F208-I221 HydrophobicContact CD1-CG2 4.13Å; F209-I221 WeakPolarHBondContact O-CA 3.11Å; V210-I221 HydrophobicContact CG2-CD1 4.39Å; V210-I221 HydrophobicContact CG2-CG1 4.18Å
222G50.9Low44.4Very low20 Ų20123.1 Ų123.121%0.20664%0.638CS.*EExtended strand (participates in β ladder)trans-106.5140.9179.700000112.6F208 F209F208-G222 WeakPolarHBondContact CA-O 3.29Å; F209-G222 PolarHBondContact N-O 3.37Å; F209-G222 PolarHBondContact O-N 3.05Å; F209-G222 VanDerWaalsContact O-N 3.1Å
223R52.3Low43.3Very low156 Ų156121.3 Ų121.359%0.58964%0.642SS**EExtended strand (participates in β ladder)trans-108.1130.1168.4-178.5178.3167160.51.7109.6F208 N225F208-R223 HydrophobicContact CD1-CB 3.92Å; F208-R223 HydrophobicContact CD1-CG 4.44Å; F208-R223 HydrophobicContact CE1-CB 3.68Å; F208-R223 HydrophobicContact CE1-CG 4Å; F208-R223 HydrophobicContact CZ-CB 4.37Å; F208-R223 HydrophobicContact CZ-CG 4.18Å; R223-N225 PolarHBondContact NE-OD1 2.85Å; R223-N225 VanDerWaalsContact NE-OD1 3.1Å
224K48.8Very low42.2Very low91 Ų91127.4 Ų127.440%0.39666%0.664SS.*  trans-106.5133.7170.947.4179.4178.1177.40109.4E207E207-K224 VanDerWaalsContact O-CE 3.28Å; E207-K224 WeakPolarHBondContact O-CE 3.45Å; E207-K224 WeakPolarHBondContact O-CG 3.29Å; E207-K224 VanDerWaalsContact OE2-CE 3.31Å; E207-K224 WeakPolarHBondContact OE2-CE 3.11Å; E207-K224 IonicContact OE2-NZ 2.65Å; E207-K224 PolarHBondContact OE2-NZ 3.43Å
225N32.8Very low41.1Very low127 Ų127119.3 Ų119.368%0.67965%0.652SS**  trans-103.3135167.9-70.2-14000107.7R223R223-N225 PolarHBondContact NE-OD1 2.85Å; R223-N225 VanDerWaalsContact NE-OD1 3.1Å
226S32.4Very low39.8Very low99 Ų99122 Ų12269%0.69268%0.675SS**  trans-109105.7-174.8-61.70000111.7
227T31.2Very low38.5Very low145 Ų145126 Ų12689%0.8968%0.68SS**  trans-121106.515945.70000108.5
228S27.6Very low37.2Very low113 Ų113120.6 Ų120.679%0.7967%0.674SS**  trans-87.5154.2175.847.20000111.3
229S29Very low36.2Very low105 Ų105122 Ų12273%0.73468%0.68SS**  cis174.6139.5-19.450.50000108.1
230F26.2Very low34.8Very low207 Ų207121.3 Ų121.391%0.90869%0.685SS**  trans-159.3156.1154-147.9-118.6000116.3
231A28.6Very low33.4Very low72 Ų72119 Ų11960%0.59569%0.69SS**  trans4682.7161.300000120.1
232E28.7Very low32.3Very low174 Ų174121 Ų12181%0.81370%0.702SS**  -8.9127.8122.7-179179-169.900117.3
233S29.5Very low31.8Very low119 Ų119124.6 Ų124.683%0.83272%0.722SS**  trans-147.3165.2145.265.70000110.1
234K30Very low30.8Very low186 Ų186123.4 Ų123.481%0.80973%0.727SS**  trans-101.4156.8-164.5-67175.1-178.6170.30113.5
235A28.8Very low30Very low88 Ų88128.1 Ų128.173%0.72775%0.75SS**  trans105.4121150.400000119
236S28.2Very low29.8Very low105 Ų105126.3 Ų126.373%0.73474%0.744SS**  trans55.2128138.7610000122.8
237K28.9Very low29.9Very low195 Ų195126 Ų12685%0.84875%0.747SS**  trans75.4121.8139-82.6-172.4173.3-1740120.6
238S25.8Very low30Very low90 Ų90126 Ų12663%0.62974%0.739SS**  trans62.4121.1130.866.10000123.2
239I28Very low30.2Very low136 Ų136128.2 Ų128.270%0.69774%0.737SS**  77126.4126-63.7169.8000119.7
240S26.7Very low30.2Very low93 Ų93130.5 Ų130.565%0.6574%0.74SS**  trans67.3162.2155.972.80000119.4
241G25.5Very low30.5Very low70 Ų70125.7 Ų125.772%0.72273%0.732SS**  trans118.866.2159.600000117.1
242D38.2Very low30.5Very low149 Ų149125.2 Ų125.280%0.79773%0.734SS**  trans-87.2133.7135.417432.6000106.5
243P41.3Very low30.4Very low97 Ų97124.8 Ų124.863%0.6374%0.738SS**  -148.7142.9122.635.9-19.5000116.3
244L30.6Very low30.6Very low131 Ų131125.9 Ų125.969%0.68673%0.73SS**  trans42.6125.7133.6-7567.7000120.1T246L244-T246 HydrophobicContact CB-CG2 4.17Å; L244-T246 HydrophobicContact CD2-CG2 3.81Å; L244-T246 HydrophobicContact CG-CG2 3.92Å
245E31.2Very low30.6Very low190 Ų190126.8 Ų126.889%0.88873%0.73SS**  -140.3142.593.1-73.2-164124.600107.8
246T29.1Very low30.6Very low89 Ų89126.3 Ų126.355%0.54673%0.733SS.*  cis84.893.126.768.90000117.7L244L244-T246 HydrophobicContact CB-CG2 4.17Å; L244-T246 HydrophobicContact CD2-CG2 3.81Å; L244-T246 HydrophobicContact CG-CG2 3.92Å
247A35.7Very low30.6Very low92 Ų92131.5 Ų131.576%0.7674%0.737SS**  trans-154.9133.7130.700000107.1
248M31.5Very low30.7Very low146 Ų146128.3 Ų128.372%0.71973%0.729SS**  cis71.5126.339.5-55.7174.173.100110.8
249E32.7Very low30.9Very low159 Ų159127.6 Ų127.674%0.74374%0.736SS**  cis-130.6-166.80.9-85.6122.3176.600109
250D29.3Very low31Very low152 Ų152129.7 Ų129.781%0.81374%0.743SS**  cis-156.5167.716.3-158.47000114.2
251S31.3Very low31.2Very low106 Ų106135.2 Ų135.274%0.74176%0.755SS**  trans-57.1163.8166.8-175.30000113.9
252G29.4Very low31.3Very low62 Ų62142.7 Ų142.764%0.63976%0.762SS**  cis150.8160.4-7.500000113
253D27.6Very low30.8Very low165 Ų165141.6 Ų141.688%0.88276%0.76SS**  trans-150.4165.4-170.462.9-72.8000113.5
254E31.9Very low30.3Very low143 Ų143143.7 Ų143.767%0.66877%0.771SS**  trans-155.7158.9177.4-161.3172.5-137.900111.9
255Y30.6Very low30.2Very low204 Ų204141 Ų14180%0.878%0.775SS**  trans70.3144.5179.6-49.1-79.8000115.9
256G29.8Very low30Very low78 Ų78138 Ų13880%0.80478%0.775SS**  cis133.5153.27.500000109.4
257R28.2Very low29.9Very low214 Ų214140.7 Ų140.781%0.80879%0.786SS**  cis-170.6159.2-4.5-169-165.8-176.9-1159.4106.4
258D29.5Very low29.7Very low128 Ų128142 Ų14268%0.68479%0.785SS**  trans62.9164.7169.2-50.3-45.4000117
259G30.3Very low29.7Very low75 Ų75141.9 Ų141.977%0.77379%0.792SS**  cis-161.3175-0.500000112.7
260E30.9Very low29.5Very low181 Ų181139.7 Ų139.785%0.84680%0.795SS**  trans-88.4159.4-163.1-57.9-174.1100.400117.3
261K30.1Very low30Very low209 Ų209138.6 Ų138.691%0.90980%0.796SS**  -161.4121.2129.7-112.5156-171.9163.70114.4
262R27.5Very low30Very low227 Ų227139.4 Ų139.486%0.85780%0.796SS**  trans-90.8159.1154.3-66.3-176.3177.4-155.30109.4
263V29.1Very low30.2Very low126 Ų126147.4 Ų147.476%0.76481%0.807SS**  trans-179.1134.9132137.40000112.4
264T29.4Very low30.7Very low141 Ų141151.1 Ų151.187%0.86581%0.809SS**  trans57.7147.6168.5500000120.1
265G28.8Very low30.8Very low75 Ų75150.4 Ų150.477%0.77382%0.816SS**  trans177.7-44.9169.900000117.9
266S26.8Very low31Very low125 Ų125152.1 Ų152.187%0.87482%0.822SS**  trans45.391.5-178.5-174.20000116.3
267D27.7Very low30.9Very low147 Ų147160.4 Ų160.479%0.78683%0.829SS**  trans-72145.5-170.6-133.1-46.1000116.4
268T32.3Very low30.9Very low120 Ų120155 Ų15574%0.73683%0.83SS**  trans10.6111160.743.90000121.6
269T31.3Very low30.9Very low142 Ų142153.3 Ų153.387%0.87183%0.833SS**PPolyproline II helixtrans-75.2146.1148.948.30000111.2
270S28.3Very low30.9Very low114 Ų114162.1 Ų162.180%0.79784%0.843SS**PPolyproline II helixtrans-76.9142.9-161.2-35.80000115.9
271P39.8Very low30.8Very low128 Ų128158 Ų15883%0.83184%0.84SS**PPolyproline II helixtrans-94.7118.2163.533.5-29.3000112.1
272T31Very low30.9Very low123 Ų123153.5 Ų153.576%0.75584%0.835SS**PPolyproline II helixtrans-81.1155.2173.4-80000112.5
273R33.7Very low31.2Very low230 Ų230150.8 Ų150.887%0.86884%0.836SS**  trans78.4105.4156-63.5166-179.5-137.3-3.6119.8
274R37.5Very low31.2Very low244 Ų244150.1 Ų150.192%0.92184%0.837SS**  trans-23.6138.4150.4-65.5172171.6159.6-3.7117
275P34.3Very low31.3Very low127 Ų127153.8 Ų153.883%0.82584%0.841SS**  trans-97.7-173.3133.933.7-30.6000112.1
276R33.8Very low31.7Very low241 Ų241154.5 Ų154.591%0.90984%0.84SS**  trans-107140.7-163.4-73179167.389-3115A278R276-A278 PolarHBondContact O-N 2.82Å
277R29.7Very low32.1Very low251 Ų251152.6 Ų152.695%0.94784%0.84SS**  trans-24.5119.3161.3-172.2-171.3-154.1-174.910.2115.3
278A27.8Very low32.5Very low102 Ų102153.7 Ų153.784%0.84384%0.844SS**  trans-146.795.616500000111.1R276R276-A278 PolarHBondContact O-N 2.82Å
279A29.5Very low32.8Very low91 Ų91158.2 Ų158.275%0.75285%0.848SS**  trans-156115.4170.400000110.2
280R30.1Very low33.2Very low261 Ų261157.5 Ų157.599%0.98584%0.838SS**  trans-160.251.6163.3-126.1-176-170.9-129.4-1.3112.6
281A28.6Very low33.7Very low94 Ų94159.5 Ų159.578%0.77784%0.839SS**  trans-155.7145.4160.100000105.2
282S31.7Very low33.7Very low115 Ų115159.3 Ų159.380%0.80484%0.838SS**  cis-143.1144.48.144.50000110.8
283I33.9Very low33.9Very low170 Ų170161 Ų16187%0.87284%0.841SS**  trans-124.5105.3169.5-49.5170.9000106.9
284S29.3Very low34.3Very low112 Ų112158.4 Ų158.478%0.78384%0.839SS**  trans-176.683.8171-78.50000111.1
285F32.2Very low34.7Very low217 Ų217156.7 Ų156.795%0.95284%0.838SS**  trans-159.281.8150.5-122.7-75.1000111
286A36.4Very low34.9Very low91 Ų91156.6 Ų156.675%0.75284%0.837SS**  trans-144116.5166.100000107I288A286-I288 PolarHBondContact O-N 3.23Å; A286-I288 VanDerWaalsContact O-N 3.12Å
287G35.9Very low35.1Very low85 Ų85148.7 Ų148.788%0.87683%0.831SS**  trans-85.481.9-160.900000114.9
288I36.3Very low36Very low169 Ų169146.6 Ų146.687%0.86783%0.832SS**  trans-104.9137.6169.1-56.9179.9000109.7A286A286-I288 PolarHBondContact O-N 3.23Å; A286-I288 VanDerWaalsContact O-N 3.12Å
289R37.3Very low36.7Very low215 Ų215146.6 Ų146.681%0.81183%0.831SS**  trans-83.2148.5-165.4-77.7-169.6179.3-129.48115.7
290D39.9Very low37.9Very low127 Ų127151.4 Ų151.468%0.67984%0.838SS**  trans50.279.3141-56.9-37.2000119.7
291L39.3Very low38.7Very low156 Ų156149.5 Ų149.582%0.81783%0.831SS**  trans-141133.5146.3-77.4-176.5000112.1I293L291-I293 PolarHBondContact O-N 2.87Å
292P39.3Very low40.1Very low124 Ų124150.3 Ų150.381%0.80582%0.82SS**  trans-85.893.5-174.133-35.1000113.4
293I35Very low42Very low158 Ų158148.7 Ų148.781%0.8181%0.806SS**PPolyproline II helixtrans-83.3116.7179.6-58.1179.2000111.7L291L291-I293 PolarHBondContact O-N 2.87Å
294Q42Very low43.3Very low177 Ų177150.6 Ų150.683%0.82780%0.802SS**PPolyproline II helixtrans-73.8147.8173.9-63.5-173.99.800112.4P296Q294-P296 WeakPolarHBondContact O-CD 3.48Å
295K46.5Very low44.7Very low207 Ų207151.1 Ų151.190%0.980%0.795SS**PPolyproline II helixtrans-84.3116.9179.1-64.4177-178.6174.90111.7
296P39Very low46.5Very low126 Ų126145.4 Ų145.482%0.81877%0.771SS**PPolyproline II helixtrans-74.8138.9170.530.5-33.5000111.6Q294Q294-P296 WeakPolarHBondContact O-CD 3.48Å
297G36.9Very low48.1Very low74 Ų74147.4 Ų147.476%0.76376%0.76SS**PPolyproline II helixtrans-80.2168.8-174.400000115.8A299G297-A299 PolarHBondContact O-N 3.13Å
298Q49.1Very low49.5Very low208 Ų208152.2 Ų152.297%0.97275%0.751SS**PPolyproline II helixtrans-64.5118178.2-72.3-175.3-19.900112.8
299A42.4Very low50.7Low101 Ų101151.4 Ų151.484%0.83574%0.742SS**PPolyproline II helixtrans-87.1126.2169.600000111.8G297G297-A299 PolarHBondContact O-N 3.13Å
300Q54Low51.8Low193 Ų193144.7 Ų144.790%0.90273%0.727SS**PPolyproline II helixtrans-76125.8-175.5-169.3173.2-7.600112.4M302Q300-M302 PolarHBondContact O-N 3.08Å; Q300-M302 VanDerWaalsContact O-N 3.16Å
301R46.9Very low52.6Low221 Ų221145.1 Ų145.183%0.83473%0.727SS**  trans-75.5103.5-169.3-167.5-179-170.7-137.28.5113.3
302M58.7Low53.2Low110 Ų110141.7 Ų141.754%0.54272%0.716SS.*  trans-50.1134.1177.1-72.7-72-89.500114.1Q300 Q306 R307Q300-M302 PolarHBondContact O-N 3.08Å; Q300-M302 VanDerWaalsContact O-N 3.16Å; M302-Q306 HydrophobicContact CE-CB 4.16Å; M302-Q306 HydrophobicContact CE-CG 4.35Å; M302-R307 PolarHBondContact O-NH2 3.18Å
303T70.4Confident53.6Low82 Ų82141.6 Ų141.650%0.50371%0.708SS.*  trans-73.6159.4-171.168.90000113.8L305 Q306 R307T303-L305 PolarHBondContact O-N 3.26Å; T303-Q306 PolarHBondContact O-N 3.12Å; T303-Q306 PolarHBondContact OG1-OE1 2.9Å; T303-R307 PolarHBondContact O-N 2.67Å
304R61.7Low54.3Low210 Ų210137.1 Ų137.179%0.79270%0.695SS**Hα-helixtrans-59.3-29-177-167.5-179.8-176.1-162.33.5113.5R308R304-R308 PolarHBondContact O-N 3.09Å
305L59.6Low54.6Low122 Ų122131.7 Ų131.764%0.63968%0.68SS**Hα-helixtrans-77.9-42.3-177.9-173.161.2000112.5T303 R307 R308 K309T303-L305 PolarHBondContact O-N 3.26Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R307 PolarHBondContact O-N 3.3Å; L305-R308 PolarHBondContact O-N 3.34Å; L305-K309 PolarHBondContact O-N 3.23Å; L305-K309 VanDerWaalsContact O-N 3.1Å
306Q69.1Low54.7Low97 Ų97126.9 Ų126.945%0.45367%0.668SS.*Hα-helixtrans-60.3-44.7172.7-82.1164.9-52.800111.1M302 T303 R308 K309 S310M302-Q306 HydrophobicContact CE-CB 4.16Å; M302-Q306 HydrophobicContact CE-CG 4.35Å; T303-Q306 PolarHBondContact O-N 3.12Å; T303-Q306 PolarHBondContact OG1-OE1 2.9Å; Q306-R308 VanDerWaalsContact C-N 3.26Å; Q306-R308 PolarHBondContact O-N 2.93Å; Q306-K309 PolarHBondContact O-N 3.25Å; Q306-K309 VanDerWaalsContact O-N 3.07Å; Q306-S310 PolarHBondContact O-N 3.46Å; Q306-S310 PolarHBondContact O-OG 3.15Å
307R70Confident55Low134 Ų134127.4 Ų127.451%0.50666%0.659SS.*Hα-helixtrans-59.3-33.1176.6-115.6-178.5-76.6-157.9-6.5113.5M302 T303 L305 S310 M311M302-R307 PolarHBondContact O-NH2 3.18Å; T303-R307 PolarHBondContact O-N 2.67Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R307 PolarHBondContact O-N 3.3Å; R307-S310 PolarHBondContact O-OG 3.36Å; R307-M311 WeakPolarHBondContact O-CG 3.44Å
308R66.6Low55.2Low185 Ų185128.2 Ų128.270%0.69865%0.653SS**Hα-helixtrans-72.7-37.7172.9-98.4-173.9162.8-170.1-6.7113.1R304 L305 Q306R304-R308 PolarHBondContact O-N 3.09Å; L305-R308 PolarHBondContact O-N 3.34Å; Q306-R308 VanDerWaalsContact C-N 3.26Å; Q306-R308 PolarHBondContact O-N 2.93Å
309K60.3Low55.1Low153 Ų153124.4 Ų124.467%0.66564%0.643SS**Hα-helixtrans-69.7-41179.4-76.9-167.5172.3-171.40112.7L305 Q306 S312L305-K309 PolarHBondContact O-N 3.23Å; L305-K309 VanDerWaalsContact O-N 3.1Å; Q306-K309 PolarHBondContact O-N 3.25Å; Q306-K309 VanDerWaalsContact O-N 3.07Å; K309-S312 PolarHBondContact O-N 3.43Å
310S60.8Low55.3Low73 Ų73130.8 Ų130.851%0.5165%0.646SS.*Hα-helixtrans-65.8-42.1179.656.10000113.1Q306 R307 S312 L313 A314Q306-S310 PolarHBondContact O-N 3.46Å; Q306-S310 PolarHBondContact O-OG 3.15Å; R307-S310 PolarHBondContact O-OG 3.36Å; S310-S312 PolarHBondContact O-N 2.77Å; S310-L313 PolarHBondContact O-N 3.29Å; S310-A314 PolarHBondContact O-N 3.13Å
311M56.1Low54.6Low137 Ų137126.4 Ų126.468%0.67564%0.637SS**Hα-helixtrans-58.1-34.6176-73.8178.867.600113.1R307 L313 A314 A315R307-M311 WeakPolarHBondContact O-CG 3.44Å; M311-L313 VanDerWaalsContact C-N 3.27Å; M311-L313 PolarHBondContact O-N 2.86Å; M311-A314 PolarHBondContact O-N 2.9Å; M311-A315 PolarHBondContact O-N 3.17Å
312S53.3Low54.4Low84 Ų84121.4 Ų121.459%0.58764%0.636SS**Hα-helixtrans-71.6-17.6-176.8-162.60000114.1K309 S310K309-S312 PolarHBondContact O-N 3.43Å; S310-S312 PolarHBondContact O-N 2.77Å
313L47.5Very low53.7Low121 Ų121122.6 Ų122.663%0.63465%0.649SS**Hα-helixtrans-88.4-42.4172.8-74167.6000111.3S310 M311 A315 V316 H317S310-L313 PolarHBondContact O-N 3.29Å; M311-L313 VanDerWaalsContact C-N 3.27Å; M311-L313 PolarHBondContact O-N 2.86Å; L313-A315 VanDerWaalsContact C-N 3.26Å; L313-A315 PolarHBondContact O-N 3.42Å; L313-V316 PolarHBondContact O-N 3.16Å; L313-V316 VanDerWaalsContact O-N 3.07Å; L313-H317 PolarHBondContact O-CD2 3.11Å
314A48.9Very low51.8Low65 Ų65123.8 Ų123.854%0.53766%0.661SS.*Hα-helixtrans-56.7-39.1178.100000112.6S310 M311 V316 H317 S318S310-A314 PolarHBondContact O-N 3.13Å; M311-A314 PolarHBondContact O-N 2.9Å; A314-V316 VanDerWaalsContact C-N 3.26Å; A314-V316 PolarHBondContact O-N 3.08Å; A314-H317 PolarHBondContact O-N 2.79Å; A314-S318 PolarHBondContact O-N 3.18Å
315A48.9Very low51Low62 Ų62119.9 Ų119.951%0.51266%0.663SS.*Hα-helixtrans-60.2-30.6177.700000114M311 L313M311-A315 PolarHBondContact O-N 3.17Å; L313-A315 VanDerWaalsContact C-N 3.26Å; L313-A315 PolarHBondContact O-N 3.42Å
316V48.5Very low49.8Very low107 Ų107119.7 Ų119.765%0.64867%0.666SS**Hα-helixtrans-77.5-31.8-178.4-179.70000111.7L313 A314L313-V316 PolarHBondContact O-N 3.16Å; L313-V316 VanDerWaalsContact O-N 3.07Å; A314-V316 VanDerWaalsContact C-N 3.26Å; A314-V316 PolarHBondContact O-N 3.08Å
317H45.5Very low48.7Very low137 Ų137124.8 Ų124.863%0.63469%0.687SS**Hα-helixtrans-79.6-32.3177.7-71.8-84.8000112.9L313 A314 V319 R320L313-H317 PolarHBondContact O-CD2 3.11Å; A314-H317 PolarHBondContact O-N 2.79Å; H317-V319 PolarHBondContact O-N 3.12Å; H317-V319 VanDerWaalsContact O-N 3.11Å; H317-R320 PolarHBondContact O-N 3.46Å; H317-R320 VanDerWaalsContact O-N 3.14Å
318S41.3Very low47.5Very low90 Ų90126.2 Ų126.263%0.62970%0.701SS**G310 helixtrans-62.8-19.4-176.8-167.60000114.9A314 R320A314-S318 PolarHBondContact O-N 3.18Å; S318-R320 VanDerWaalsContact C-N 3.26Å; S318-R320 PolarHBondContact O-N 3.01Å
319V47.4Very low46.2Very low128 Ų128123.4 Ų123.478%0.77671%0.705SS**G310 helixtrans-78.6-9.9-179.7-170.90000112.2H317H317-V319 PolarHBondContact O-N 3.12Å; H317-V319 VanDerWaalsContact O-N 3.11Å
320R45.3Very low45.4Very low235 Ų235122 Ų12289%0.88771%0.712SS**G310 helixtrans-1076.9-173-122.5176-174.8168.11.2115.5H317 S318H317-R320 PolarHBondContact O-N 3.46Å; H317-R320 VanDerWaalsContact O-N 3.14Å; S318-R320 VanDerWaalsContact C-N 3.26Å; S318-R320 PolarHBondContact O-N 3.01Å
321S40.8Very low44.3Very low102 Ų102124.9 Ų124.971%0.71373%0.726SS**  trans-122.318.7-168.4-56.20000114.8
322S41.4Very low43.7Very low116 Ų116124.1 Ų124.181%0.81173%0.731SS**  trans-107.471.9-177.9-177.20000112.6
323T43.5Very low42.8Very low134 Ų134131 Ų13182%0.82274%0.744SS**  trans-137.499.3169.853.30000110.6
324S31.2Very low42.2Very low108 Ų108130.7 Ų130.776%0.75575%0.752SS**  trans-83.3139.5170.6-174.60000110.4V326S324-V326 PolarHBondContact O-N 3.28Å
325P44.2Very low41.6Very low128 Ų128135.4 Ų135.483%0.83176%0.763SS**  trans-84.292-173.233.2-35.1000112.8
326V35.1Very low41.3Very low117 Ų117137.7 Ų137.771%0.70977%0.773SS**  trans-104.3122.3166-178.80000109.6S324 M328S324-V326 PolarHBondContact O-N 3.28Å; V326-M328 PolarHBondContact O-N 3.29Å
327K45.3Very low40.6Very low205 Ų205140 Ų14089%0.89178%0.78SS**  trans-69.4116.2174.2-73.8-179.2177.9176.20109.9
328M46.6Very low39.9Very low163 Ų163140.6 Ų140.680%0.80379%0.788SS**  trans-119132.2162.9-69.8-58.9-64.600109.6V326V326-M328 PolarHBondContact O-N 3.29Å
329T37.6Very low39.6Very low126 Ų126145.8 Ų145.877%0.77380%0.799SS**PPolyproline II helixtrans-74.2141.5176.934.80000111.1V331T329-V331 PolarHBondContact O-N 3.42Å
330P44.3Very low39.3Very low124 Ų124145.3 Ų145.381%0.80580%0.798SS**PPolyproline II helixtrans-77120.7-177.829.7-33.6000111.7
331V38.7Very low39.2Very low133 Ų133140.1 Ų140.181%0.80680%0.795SS**PPolyproline II helixtrans-75.4131.3167.3178.40000108.9T329T329-V331 PolarHBondContact O-N 3.42Å
332P42.6Very low38.9Very low121 Ų121141.2 Ų141.279%0.78680%0.803SS**PPolyproline II helixtrans-70.1137.9-174.227.1-34.8000112.8
333R33.2Very low38.6Very low228 Ų228139 Ų13986%0.8680%0.798SS**  trans-97.5110.5179.3179.3-179.8-177.5166.11.5110.2
334S35.3Very low38.4Very low115 Ų115139 Ų13980%0.80480%0.801SS**  trans-71.8145.6174.345.40000112.3
335Q36.7Very low38.6Very low165 Ų165140.8 Ų140.877%0.77181%0.807SS**  trans-104.6154.3169.2-74.4-78.16.700109.2
336P42.7Very low38.2Very low110 Ų110143.6 Ų143.671%0.71481%0.809SS**  trans-86144.5-175.334.2-33.9000112.6
337I33.7Very low38.5Very low154 Ų154144.9 Ų144.979%0.7981%0.81SS**  trans-155.1131.2166.1-107.1150.3000111.6
338N31.2Very low37.8Very low151 Ų151141.6 Ų141.681%0.80781%0.807SS**  trans34.6138.7153.3-54.4-27.6000124.2
339K35.4Very low37.2Very low199 Ų199142.6 Ų142.687%0.86581%0.807SS**  trans-62163.1152.5-58.7177.2-178.6179.20110.1
340P40.7Very low36.8Very low117 Ų117144.3 Ų144.376%0.7681%0.81SS**  cis-147.2-146.438.146-24.4000112.5
341P42.1Very low36.2Very low126 Ų126143.4 Ų143.482%0.81881%0.807SS**  cis-114.1-158.2-34.335.4-17.5000111.7
342S36.2Very low36Very low125 Ų125145.6 Ų145.687%0.87481%0.808SS**  trans-95145.1-174.155.20000115.8
343G34.5Very low35.6Very low70 Ų70149.6 Ų149.672%0.72281%0.807SS**  trans-172.4134.4162.700000112.3
344P39.9Very low35.6Very low135 Ų135146.2 Ų146.288%0.87781%0.806SS**  trans-97.4137.4-178.635.5-31.7000113.3
345V35.5Very low35.6Very low144 Ų144147.5 Ų147.587%0.87380%0.804SS**  trans-132.3146.4167.1-178.50000108.5
346Q34.1Very low36.1Very low188 Ų188146.1 Ų146.188%0.87980%0.801SS**  trans-89.2166.3-165-60.4-176.515.400114
347I42.1Very low35.8Very low143 Ų143149.7 Ų149.773%0.73381%0.805SS**  trans-96.4138.8-174.5-58.5165.6000110.3K349I347-K349 HydrophobicContact CG2-CG 3.94Å
348T29.9Very low36.2Very low136 Ų136148 Ų14883%0.83480%0.804SS**  trans-113.7126157.5-41.90000109
349K34.2Very low36.4Very low184 Ų184152.3 Ų152.380%0.881%0.809SS**  trans-108.6139.8170.6-71.4-175.7178.1-179.50109.4I347I347-K349 HydrophobicContact CG2-CG 3.94Å
350I30.5Very low36.3Very low162 Ų162149 Ų14983%0.83181%0.808SS**  trans-117.1145.7162.5-65.6174.7000106.8
351S30.7Very low36Very low105 Ų105148.2 Ų148.273%0.73481%0.811SS**  trans-135.2125.8-176.1170.80000109.6
352H34.4Very low35.7Very low180 Ų180148.8 Ų148.883%0.83381%0.812SS**  trans-138.2137.4158-97.5-86.2000109
353R34.4Very low35.6Very low204 Ų204148.5 Ų148.577%0.7781%0.807SS**  trans-86.3162.3153.2-66.5-177.7168.9-146.2-1.7107.4
354D34.2Very low35.6Very low157 Ų157151.2 Ų151.284%0.8482%0.816SS**  -155160.4108.2-90.4-32.2000110.3
355D35.3Very low35.1Very low142 Ų142148.2 Ų148.276%0.75981%0.809SS**  trans-137.8122.7-162.5-165.23.1000108.1
356I46.2Very low34.9Very low137 Ų137148 Ų14870%0.70381%0.807SS**  trans-110.3101.7-155.5-64.4-178.8000111.4
357F36.7Very low34.7Very low185 Ų185145 Ų14581%0.81180%0.802SS**SBendtrans75149.8168.9-55.8-48.1000116.2
358P41.1Very low34.1Very low118 Ų118144.9 Ų144.977%0.76680%0.802SS**  -130.3168.1-96.624.6-1.4000114.6
359R36.6Very low34.2Very low241 Ų241144.6 Ų144.691%0.90979%0.794SS**  trans-122.2140165-78.5-169.9170.9-141.2-3.2111.7
360P33.4Very low33.9Very low130 Ų130141.5 Ų141.584%0.84479%0.787SS**PPolyproline II helixtrans-63.6141.6176.4-21.333.1000112.5
361A35.2Very low33.9Very low100 Ų100140.9 Ų140.983%0.82678%0.781SS**PPolyproline II helixtrans-94.5144.4172.400000111.3
362V34.2Very low34Very low139 Ų139141 Ų14184%0.84277%0.773SS**PPolyproline II helixtrans-98.5134.3171.3-176.90000108
363P33.8Very low33.8Very low118 Ų118139.7 Ų139.777%0.76677%0.767SS**PPolyproline II helixtrans-76.7144.1-168.329.4-35.7000113.7
364S34.6Very low33.5Very low128 Ų128136.6 Ų136.690%0.89577%0.765SS**  trans-142.2120153.5-72.70000106.4
365G30.8Very low33.4Very low71 Ų71138.8 Ų138.873%0.73277%0.767SS**  trans-106-166.1-16600000114.5
366V30Very low33Very low139 Ų139138 Ų13884%0.84277%0.767SS**  trans79.175.9163.8-163.60000116.5
367V31Very low32.4Very low126 Ų126140.2 Ų140.276%0.76478%0.775SS**  72.793115.4172.20000118.6
368N28.3Very low32.1Very low140 Ų140138.7 Ų138.775%0.74977%0.77SS**  99.8161.8105.5-147.78.4000121.5
369I31.8Very low31.7Very low130 Ų130139.5 Ų139.567%0.66776%0.764SS**  trans84.494.9156.9-76.1159.1000119.7
370N28.1Very low31.5Very low120 Ų120135.5 Ų135.564%0.64276%0.756SS**  79.3107127.5-72.2-23.3000123.9
371Q31.7Very low31.3Very low149 Ų149137.8 Ų137.870%0.69675%0.752SS**  86.5136.6110.6-74.3-178.839.800123.1
372N31.7Very low31Very low108 Ų108139.3 Ų139.358%0.57875%0.752SS**  trans77.194.8138.5-75.9-36.1000121.7
373Q31.5Very low30.9Very low151 Ų151139.7 Ų139.771%0.70675%0.748SS**  74.1130.2113.2-74-169.970.300121.6
374L28.4Very low30.7Very low140 Ų140142 Ų14273%0.73375%0.752SS**  trans28.7117.8136.2-69.980.4000118.1
375K30.7Very low30.6Very low202 Ų202144.6 Ų144.688%0.87875%0.748SS**  -158147.790.5-108.4162-173.4170.70115.3
376T28.2Very low31Very low125 Ų125146.7 Ų146.777%0.76775%0.748SS**  trans-72.5134168.845.30000112
377Q33Very low31Very low184 Ų184146.3 Ų146.386%0.8675%0.747SS**  trans-178.6132.4136.3-110.5179.9114.800107.6
378Q31Very low31Very low153 Ų153147.5 Ų147.572%0.71575%0.754SS**  49.7129.854.1-68.3-158.731.300111.8
379Q32.7Very low31.1Very low135 Ų135148.5 Ų148.563%0.63176%0.759SS**  cis-166.9169.525.5-141.6-17974.200109.5
380Q31Very low31Very low158 Ų158151 Ų15174%0.73877%0.768SS**  trans68.1150.7161.5-61.4176.443.400117
381K30.5Very low31.1Very low178 Ų178148.9 Ų148.977%0.77477%0.768SS**  cis139.489.1-13.7173.2-142.9174.9-1740108.9
382T28.8Very low31.1Very low132 Ų132149.2 Ų149.281%0.8177%0.772SS**  trans-168.7129.9144.318.30000106.3
383L32.1Very low31Very low147 Ų147148.3 Ų148.377%0.7778%0.78SS**  7893.359.8-153.3-177.9000112
384I28.7Very low31Very low166 Ų166148.3 Ų148.385%0.85179%0.785SS**  trans-159.3147.7159.3-98.9148.9000107.3
385F32.9Very low31.9Very low183 Ų183146.4 Ų146.480%0.80378%0.781SS**  trans-92.9164177.2-97.9-102000111.3
386P38.3Very low31.8Very low114 Ų114145.8 Ų145.874%0.7478%0.781SS**  trans-83.2146.9-168.733.9-34.2000113.3
387T29.8Very low31.9Very low132 Ų132142.8 Ų142.881%0.8178%0.775SS**  trans-142.9119.6167.942.50000111.3
388T32.6Very low31.7Very low150 Ų150140.5 Ų140.592%0.9278%0.779SS**  trans-149.285.4144.629.50000106.6
389D29.5Very low31.6Very low161 Ų161136.6 Ų136.686%0.86178%0.781SS**  trans-77.7132.5157.2-106.7-50.6000107.7
390E30.3Very low32.2Very low183 Ų183136 Ų13686%0.85579%0.789SS**  trans-175.1138.4134.3-104.2178.517300108.7
391A30.5Very low33.3Very low76 Ų76133.9 Ų133.963%0.62879%0.788SS**  cis-146.4135.25.300000113.6
392I31.5Very low33.4Very low155 Ų155133.3 Ų133.380%0.79579%0.789SS**  68.9122.4129.4-62.8172.5000120.5
393A29.2Very low33.8Very low90 Ų90138 Ų13874%0.74479%0.791SS**  trans63.991.6148.100000121.6
394N31.7Very low33.9Very low150 Ų150141.5 Ų141.580%0.80279%0.794SS**  trans-69.3160130.7-138.1-31.3000108.5
395P46.3Very low34.2Very low100 Ų100138.2 Ų138.265%0.64979%0.786SS**  -156.2164.275.341.4-21.8000118.5
396Q29.6Very low34.4Very low190 Ų190136.7 Ų136.789%0.88879%0.791SS**  trans64.7147.5151.2-70.7166.1-2.400119.7
397G29.6Very low34Very low62 Ų62135 Ų13564%0.63979%0.794SS**  cis160.7152.3-11.400000115.5
398S29Very low34.4Very low135 Ų135140.6 Ų140.694%0.94480%0.801SS**  trans74.4153166.381.70000120.3
399G29.7Very low36Very low72 Ų72138.6 Ų138.674%0.74279%0.79SS**  trans108.996.2153.900000120.2
400P43.9Very low37.1Very low123 Ų123137.2 Ų137.280%0.79979%0.79SS**  trans-105.8-170.6162.440.4-32.6000111.9
401P55.3Low37.7Very low113 Ų113137.8 Ų137.873%0.73479%0.789SS**  cis-128.5-175.2-44.838.1-22.9000112.3
402Q31.5Very low37.9Very low166 Ų166143.9 Ų143.978%0.77680%0.802SS**  trans-166.7173137.2-118.2-174.281.100116.8
403R37.9Very low38.1Very low231 Ų231144 Ų14487%0.87280%0.803SS**  trans-115.7155178.4-61.3170.3165.8-177-5.5111.4
404R34.1Very low39Very low220 Ų220144.7 Ų144.783%0.8380%0.8SS**  trans-169-169.5137.1-114165.1-92-146.90.7114.6
405S35.1Very low39.3Very low96 Ų96145.5 Ų145.567%0.67180%0.801SS**  trans-153.2177.3-149.9540000115.6
406V36.3Very low38.7Very low152 Ų152145.3 Ų145.392%0.92180%0.798SS**  trans69.2145.5163.8-61.60000121.6
407G30.3Very low38.7Very low77 Ų77142.9 Ų142.979%0.79479%0.786SS**  trans179.8160.6174.500000113.3
408R37.7Very low38.7Very low251 Ų251149.1 Ų149.195%0.94779%0.791SS**  trans-145.3165.6-176.1-111.8-164.6174.6-167.81.2113.7
409P67Low38.8Very low108 Ų108149.4 Ų149.470%0.70178%0.78SS**  trans-109.4178.1-173.842.5-35.9000115
410P52.6Low38.8Very low131 Ų131152.6 Ų152.685%0.85179%0.785SS**  trans-124.4174.8154.335.7-21.8000115.2
411K43.7Very low38Very low195 Ų195150.7 Ų150.785%0.84878%0.779SS**  trans-117.4172.2-171.4-40.8166-177.4174.20111.8
412K34.2Very low37.6Very low205 Ų205150.3 Ų150.389%0.89178%0.777SS**  trans-152.2164.5130.7-77.3-148178.7179.20113
413L36.3Very low37.4Very low158 Ų158150.1 Ų150.183%0.82778%0.776SS**  trans-123.3-170174.2-71.1171.3000106.9
414P48Very low37Very low104 Ų104144.1 Ų144.168%0.67577%0.765SS**  cis-150.9-17512.344.1-21.8000119
415M36.6Very low36.8Very low166 Ų166141.5 Ų141.582%0.81876%0.762SS**  trans65.2152.5140.7-82175.17500122.6
416V33.8Very low36.5Very low97 Ų97142.2 Ų142.259%0.58876%0.763SS**  cis-171.7148.3-23.498.50000113.7
417Q30.7Very low36.2Very low138 Ų138144.5 Ų144.565%0.64576%0.76SS**  trans63.8163.7151.5-69.3179.42200120.9
418R29.4Very low37Very low193 Ų193145.4 Ų145.473%0.72875%0.752SS**  cis-159.6149.2-5.8-120.2173.1179.5164-1.2113.4
419I30.9Very low36.6Very low142 Ų142142.9 Ų142.973%0.72875%0.751SS**  trans29.4134.3143.5-48.2154.6000121.4
420V28.9Very low34.8Very low138 Ų138142.6 Ų142.684%0.83675%0.752SS**  170.4154.3120.3160.20000109.7
421A27.3Very low34.5Very low83 Ų83141.3 Ų141.369%0.68674%0.744SS**  trans-123.4-168.2178.500000109.2
422P46.4Very low34.1Very low105 Ų105139.1 Ų139.168%0.68274%0.74SS**  cis-138.7-158.2-1.539.7-16.9000114.4
423E27.5Very low33.9Very low163 Ų163135.6 Ų135.676%0.76273%0.731SS**  trans91.3142.2140.4-92.9-173.7133.400126
424T29.6Very low33.8Very low105 Ų105134.8 Ų134.864%0.64473%0.733SS**  trans74.2115.7147.751.20000124.7
425Q30.7Very low33Very low164 Ų164138.9 Ų138.977%0.76674%0.74SS**  75.7119.1121.3-67.1-169.326.800124.7
426T29.5Very low32.7Very low112 Ų112136.9 Ų136.969%0.68774%0.736SS**  62.4111.3129.164.40000124.1
427K28.9Very low32.7Very low199 Ų199139.2 Ų139.287%0.86575%0.745SS**  73.2-175.5121.5-127.1-163.3175.3-179.40115.7
428P47.2Very low32.5Very low96 Ų96138.6 Ų138.662%0.62375%0.751SS**  -130.7167.3-117.843.4-26.4000116
429Q29.3Very low32.6Very low198 Ų198137.2 Ų137.293%0.92576%0.756SS**  -175150.9128.6-106.7162.6-17.800113.6
430S29.1Very low32.6Very low103 Ų103133.8 Ų133.872%0.7276%0.755SS**  trans-95.8167.7156.364.40000107.7
431P46.3Very low32.7Very low103 Ų103137.1 Ų137.167%0.66976%0.759SS**  -160.8-175.959.444.3-21000119
432I34.7Very low33.3Very low150 Ų150138.2 Ų138.277%0.76976%0.759SS**  trans61.797.6142.6-71.6159.3000120.4
433N30.1Very low32.3Very low131 Ų131139.1 Ų139.170%0.70176%0.763SS**  47116.9109.9-172.923.1000120.9
434T34.1Very low32.3Very low141 Ų141136.2 Ų136.287%0.86576%0.76SS**  -170.2-168.5129.818.60000112.2
435K31.9Very low32.3Very low189 Ų189136.4 Ų136.482%0.82277%0.766SS**  trans-122.5177.2-156.5-56.6174.2-178.1173.90114.7
436V30.6Very low32.2Very low124 Ų124135 Ų13575%0.75277%0.769SS**  trans90.8142.7152.3-147.50000118.2
437L32.7Very low32.3Very low146 Ų146133.6 Ų133.676%0.76477%0.768SS**  trans67.2117.7176.5-64.7117.4000116
438T27.3Very low32.2Very low125 Ų125130.4 Ų130.477%0.76777%0.771SS**  cis92.8146.438-57.30000112.5
439I30.9Very low31.4Very low165 Ų165129.4 Ų129.485%0.84678%0.778SS**  trans84.2134.6179.1-46.2-178.4000115.2
440G32Very low31.3Very low69 Ų69127.2 Ų127.271%0.71177%0.773SS**  trans97.689.915100000118.8
441K30.3Very low31.3Very low208 Ų208128.2 Ų128.290%0.90477%0.769SS**  trans-106134.4140-78.8-179.5176.4174.20106.9
442P39.2Very low30.5Very low107 Ų107129.5 Ų129.570%0.69577%0.77SS**  -139.3129.69840.9-28.7000112.1
443T26.6Very low30.2Very low123 Ų123129.1 Ų129.176%0.75577%0.769SS**  98148.7100.254.30000115
444S28.3Very low30.2Very low102 Ų102129.9 Ų129.971%0.71377%0.772SS**  trans53.6104153.157.50000120.1
445S28.2Very low29.8Very low110 Ų110127.5 Ų127.577%0.76977%0.766SS**  139.9151.792.467.50000117.1
446V29.2Very low29.7Very low135 Ų135126.4 Ų126.482%0.81877%0.768SS**  trans73.3138.4149.8168.60000121.3
447A31Very low29.6Very low82 Ų82129.8 Ų129.868%0.67877%0.773SS**  trans49.3115.5161.200000119.6
448S26.4Very low29.5Very low131 Ų131128.1 Ų128.192%0.91677%0.773SS**  73.993.962.3-59.50000114.3
449G30.5Very low29.7Very low76 Ų76129.1 Ų129.178%0.78477%0.774SS**  trans-168.2150172.700000110.2
450N27.2Very low29.6Very low152 Ų152127.6 Ų127.681%0.81377%0.772SS**  trans-160.4157.1-165.6-140.17.9000108.9
451I30.1Very low29.3Very low124 Ų124129.4 Ų129.464%0.63677%0.769SS**  cis-144-179.413.2-20.2173.8000110
452N29Very low29.4Very low129 Ų129125.5 Ų125.569%0.6976%0.763SS**  trans72.7105.5156.1-56.6-27.6000118.8
453N28.4Very low28.8Very low142 Ų142124.8 Ų124.876%0.75976%0.76SS**  -173.8132.993-97.1-25.1000115.6
454I29.6Very low29Very low148 Ų148126 Ų12676%0.75976%0.761SS**  trans58.9101.3135.5-56.4175.6000120
455A27.2Very low29.2Very low90 Ų90126.1 Ų126.174%0.74476%0.761SS**  91.6165.7129.300000123.8
456I28.2Very low29.3Very low167 Ų167124.8 Ų124.886%0.85675%0.752SS**  trans97.9130.6166.4-51.5-173.7000117.9
457K29.4Very low30.2Very low195 Ų195124.8 Ų124.885%0.84876%0.758SS**  trans-78.5143-167.5-50.1155.5176.1174.40113.8
458S31.3Very low30Very low111 Ų111127.8 Ų127.878%0.77677%0.768SS**  trans-170.9106.4138.253.40000108.9
459N30.4Very low30Very low146 Ų146124.7 Ų124.778%0.78175%0.75SS**  81.6123.877.9-92.213.7000114.9
460V30Very low30Very low132 Ų132127.7 Ų127.780%0.875%0.754SS**  trans70.7133.3148.3175.10000116.5
461V25.9Very low29.9Very low107 Ų107127 Ų12765%0.64876%0.755SS**  cis-164.8165.3-13.9124.10000107
462T30.9Very low29.8Very low127 Ų127128.1 Ų128.178%0.77976%0.762SS**  trans60.8160.2172.851.40000117.5
463S26.8Very low29.9Very low91 Ų91127.7 Ų127.764%0.63677%0.765SS**  cis-167.3146.7-28.1-96.80000109.9
464I30.6Very low30Very low150 Ų150128.1 Ų128.177%0.76977%0.765SS**  trans60.1107.2147.1-60.2165.6000118.7
465S32.8Very low30.1Very low104 Ų104127.5 Ų127.573%0.72777%0.768SS**  trans46.4141.8131.6-49.90000123.6
466S29.6Very low30.2Very low81 Ų81132.6 Ų132.657%0.56677%0.774SS**  -170.369.3123.331.70000114.5T468 A469S466-T468 CarbonylContact O-C 3.51Å; S466-A469 PolarHBondContact O-N 2.98Å
467S48.3Very low30.2Very low136 Ų136128.2 Ų128.295%0.95177%0.77SS**THydrogen-bonded Turntrans-90.5106.1140.4-66.20000106
468T26.5Very low30.3Very low145 Ų145126.2 Ų126.289%0.8977%0.767SS**THydrogen-bonded Turncis-101.7127.410.2-47.60000113.4S466S466-T468 CarbonylContact O-C 3.51Å
469A28.3Very low30.2Very low66 Ų66126.3 Ų126.355%0.54577%0.767SS.*  trans-166.8142.4137.600000111.4S466S466-A469 PolarHBondContact O-N 2.98Å
470T29.5Very low30.2Very low139 Ų139126.2 Ų126.285%0.85377%0.767SS**  trans-79129.7169.545.90000111.1
471T26.2Very low30.2Very low138 Ų138128 Ų12885%0.84777%0.772SS**  trans-78.8136.617047.40000112.2
472N27.7Very low30.6Very low147 Ų147127.9 Ų127.979%0.78678%0.776SS**  trans-136.5141.2164.6-108.6-16.2000108.9
473T31.1Very low30.6Very low120 Ų120129.7 Ų129.774%0.73678%0.779SS**  trans53.7115.5166.849.60000117.6
474I30.4Very low30.7Very low150 Ų150134.3 Ų134.377%0.76979%0.787SS**  58.4115.270-52.2163.6000109.6
475T30.3Very low30.5Very low135 Ų135133.9 Ų133.983%0.82879%0.792SS**  -158.4167.265.9-42.20000113.4
476K29Very low30.5Very low198 Ų198134.7 Ų134.786%0.86179%0.793SS**  trans-76.6161.6173.1-57168.2-179.3169.50113.2
477G28.8Very low30.6Very low74 Ų74139.9 Ų139.976%0.76381%0.808SS**  trans-151.9131.1154.100000111.2
478I31.5Very low29.8Very low154 Ų154140.8 Ų140.879%0.7980%0.802SS**  trans-143.9125.8178.1-60.6177.4000109.9
479S29.7Very low30Very low112 Ų112140.4 Ų140.478%0.78380%0.799SS**  trans-160.5118163.949.90000107.8
480N29.6Very low30.1Very low145 Ų145144.7 Ų144.778%0.77581%0.813SS**  83.7107.560.7-80.3-0.6000114.7
481N31.1Very low30Very low168 Ų168144.1 Ų144.190%0.89881%0.809SS**  trans56.7147.6149.8-81.8-4.7000123.3
482S34.1Very low30.2Very low105 Ų105144.5 Ų144.573%0.73481%0.805SS**  trans-76.4150.4169.3171.60000112.3
483I29.7Very low30Very low165 Ų165142 Ų14285%0.84680%0.799SS**  trans-152.1160.4143.1-106154.8000109.1
484K29.3Very low29.9Very low188 Ų188146.9 Ų146.982%0.81781%0.805SS**  trans-88.8149.8179.8-44.9166.3-176.2173.70111
485T27.4Very low30.1Very low142 Ų142145.1 Ų145.187%0.87181%0.806SS**  -162.8154.1127.316.70000111.7
486T32.9Very low30.1Very low120 Ų120144.7 Ų144.774%0.73681%0.806SS**  trans-89.2145.2164.345.10000110.2
487E31.5Very low29.9Very low191 Ų191142.5 Ų142.589%0.89380%0.804SS**  trans-167.4157.7143.7-111156.4-130.500111
488N31.9Very low30.2Very low154 Ų154145 Ų14582%0.82481%0.809SS**  trans-116.1133.7-168.2-43.6-67.6000111.9
489V31Very low29.9Very low137 Ų137143 Ų14383%0.8381%0.809SS**  trans-142.8128.7155.2-175.60000109.8
490N28.6Very low30.1Very low157 Ų157143.1 Ų143.184%0.8481%0.81SS**  trans-82.6137172.5-72.7-23.7000111.2
491V28.8Very low29.9Very low127 Ų127142.4 Ų142.477%0.7781%0.811SS**  trans-137.3102.8154.7-174.10000111
492I29Very low29.8Very low145 Ų145139.7 Ų139.774%0.74481%0.805SS**  trans42.5117.4144.8-53.1176.8000118.6
493S24.6Very low29.4Very low95 Ų95140.1 Ų140.166%0.66481%0.808SS**  trans-71.3146.2170.4550000114.7
494Y29.2Very low29.2Very low223 Ų223137.7 Ų137.788%0.87581%0.805SS**  trans-146120.5135.9-84.1-68.1000111.1
495S33.8Very low29.2Very low112 Ų112134.7 Ų134.778%0.78381%0.808SS**  trans-107.5131.4164.4-59.10000109.3
496P30.4Very low29.4Very low127 Ų127137.9 Ų137.983%0.82581%0.81SS**PPolyproline II helixtrans-97.9133.6156-5.925.8000110.3
497N24.8Very low29.3Very low152 Ų152136 Ų13681%0.81381%0.807SS**PPolyproline II helixtrans-72.2154.3177.7-870.2000113
498S36.4Very low29.1Very low125 Ų125132.6 Ų132.687%0.87480%0.799SS**PPolyproline II helixtrans-59.9140.3153.3-51.90000110.7
499S25.1Very low29.1Very low113 Ų113131.8 Ų131.879%0.7980%0.8SS**  trans-136.6109.1169.3-75.90000111.8
500S33.4Very low28.9Very low115 Ų115128.7 Ų128.780%0.80480%0.796SS**  trans-86.9139.3161.1530000110.2
501T26Very low29.1Very low130 Ų130126 Ų12680%0.79880%0.795SS**  trans-133.3120.4165540000108.9
502S28.7Very low29.3Very low110 Ų110125.9 Ų125.977%0.76980%0.8SS**  cis91.1117.731.981.50000114.6
503S24Very low29.3Very low114 Ų114122.2 Ų122.280%0.79780%0.798SS**  trans-149.3153.1157.157.90000109.1
504S27.5Very low29.6Very low114 Ų114122.8 Ų122.880%0.79781%0.809SS**  cis-167.3125.7-31.1490000109.2
505S28.8Very low29.6Very low125 Ų125117.8 Ų117.887%0.87480%0.801SS**  trans-149.2140168.249.50000111.9
506K30.5Very low29.3Very low209 Ų209119.9 Ų119.991%0.90980%0.802SS**  trans-93.7150.2169.4-97.2-178.3170.9178.40108.9
507A30.6Very low29.2Very low81 Ų81119 Ų11967%0.66979%0.794SS**  cis-139.9-118-10.400000111.3
508T27.6Very low29.3Very low119 Ų119119 Ų11973%0.7379%0.794SS**  cis-156.1138.36.4-37.30000111.4
509T32.5Very low28.9Very low137 Ų137120.3 Ų120.384%0.8479%0.79SS**  trans5.9136164.257.20000123.8
510G27.3Very low30.1Very low73 Ų73120.1 Ų120.175%0.75379%0.786SS**  trans117.4112.6156.500000113.5
511A32.9Very low29.9Very low99 Ų99119.8 Ų119.882%0.81878%0.779SS**  cis64.1125.939.400000113.5
512S32.4Very low30.1Very low125 Ų125119.5 Ų119.587%0.87478%0.778SS**  cis-164.6172.7-5.4-81.40000108.4
513G29.9Very low30.1Very low69 Ų69119.9 Ų119.971%0.71178%0.775SS**  cis157.7165.8-2.600000111.7
514A30.4Very low30.5Very low107 Ų107120.7 Ų120.788%0.88478%0.776SS**  trans69.4167.5179.400000115.4
515V28.6Very low31Very low118 Ų118120.2 Ų120.272%0.71578%0.778SS**  cis-155.8135.7-10.386.80000112.4
516I28.1Very low31.1Very low156 Ų156117.6 Ų117.680%0.877%0.772SS**  trans49.6-158175-2.9175.2000117.1
517T27.6Very low31Very low108 Ų108114 Ų11466%0.66377%0.767SS**  cis-155.8145.413.5-35.80000114.5
518N27.1Very low31Very low151 Ų151114.7 Ų114.781%0.80777%0.767SS**  trans43.7131.2157.4-69.93.7000127
519I28.6Very low31.3Very low154 Ų154115.4 Ų115.479%0.7977%0.771SS**  trans-75.7179.1159.626.6169.3000113.2
520P50.4Low31.8Very low109 Ų109114.1 Ų114.171%0.70877%0.765SS**  cis-122-133.1-13.722.34.3000111.8
521T28.7Very low31.9Very low107 Ų107117.5 Ų117.566%0.65677%0.771SS**  cis-167.7166.54.7-14.50000112.7
522T30.5Very low31.7Very low125 Ų125116 Ų11677%0.76777%0.765SS**  trans61.2153.9153.154.10000122.3
523T29.3Very low31.6Very low117 Ų117119.9 Ų119.972%0.71877%0.766SS**  cis-163.7164-38.6-45.20000109.4
524T31.6Very low31.5Very low132 Ų132121.3 Ų121.381%0.8177%0.765SS**  trans89.2140151.1-48.60000119.5
525A37.6Very low31.7Very low103 Ų103123.6 Ų123.685%0.85176%0.761SS**  trans-149.3163.517200000111.6
526G30.9Very low31.8Very low71 Ų71123 Ų12373%0.73276%0.758SS**  trans121.9140.3-176.900000111.4
527T27.7Very low31.8Very low132 Ų132124.9 Ų124.981%0.8176%0.764SS**  -169.8131.560.4-72.40000113
528S32.3Very low32.2Very low97 Ų97128.1 Ų128.168%0.67878%0.776SS**  trans35.9134148.971.80000123.5
529V33.6Very low32.8Very low133 Ų133129.4 Ų129.481%0.80677%0.774SS**  75.1124.753.8171.10000112.8
530P42.9Very low32.9Very low111 Ų111128.3 Ų128.372%0.72177%0.767SS**  -154.3165.994.942.7-23.9000119.4
531V28.9Very low32Very low143 Ų143129.1 Ų129.187%0.86777%0.771SS**  trans65.6133169.2-160.20000115.7
532G28.6Very low32.7Very low68 Ų68131 Ų13170%0.70177%0.772SS**  cis163.8162.2-2.400000108.8
533K29.5Very low33.1Very low206 Ų206136.9 Ų136.990%0.89678%0.78SS**  cis-132-98.66.6-60.7172.3-175.8171.60111
534S29.2Very low33.3Very low99 Ų99134.4 Ų134.469%0.69278%0.777SS**  trans-170.9159.5174.744.20000108.8
535I33.7Very low33.5Very low155 Ų155134.6 Ų134.680%0.79578%0.778SS**  -177.1146.382.9-83.9157.5000107.7
536T30.6Very low33.7Very low107 Ų107138.8 Ų138.866%0.65678%0.78SS**  cis-161.9149.4-35.244.10000108.1
537Q29.1Very low34Very low195 Ų195141.2 Ų141.291%0.91178%0.781SS**  trans-115.8149.6148.2-74.3-161.514.100109.4
538L34.5Very low35Very low176 Ų176138.9 Ų138.992%0.92178%0.783SS**  trans-104.5139.4-179.3-91.5172.3000113.3
539K40Very low35.8Very low177 Ų177140 Ų14077%0.7779%0.786SS**  trans-82.5141.3-165.7-89.7179.365.6173.50114.5
540M32.2Very low36.9Very low132 Ų132139.5 Ų139.565%0.6578%0.775SS**  trans74.6160.4131.4-62.8-75.9-94.600117.4
541T30.3Very low37.9Very low126 Ų126138.7 Ų138.777%0.77376%0.764SS**  cis-141.5142.522.9-41.80000115
542E44.5Very low39.5Very low145 Ų145135.5 Ų135.568%0.67875%0.746SS**  trans-69.2146.6171.4172.3-165-160.100113.7
543R37.3Very low40.9Very low250 Ų250141 Ų14194%0.94375%0.751SS**  trans-174.3114.7133.2-104.5168-173.9-164.40.2112
544G35.2Very low43.3Very low64 Ų64132.9 Ų132.966%0.6672%0.721SS**SBendtrans-173.546.1-176.200000114.8
545T35.1Very low45.4Very low136 Ų136131.7 Ų131.783%0.83471%0.707SS**  trans48.5106.7170.6480000117.9T547T545-T547 PolarHBondContact O-N 3.1Å; T545-T547 VanDerWaalsContact O-N 3.13Å
546Q42.5Very low47.7Very low191 Ų191129.6 Ų129.689%0.89370%0.697SS**  trans-58.7103.7173179-1710.200113.8
547T36.5Very low50.3Low123 Ų123127.5 Ų127.576%0.75568%0.68SS**  trans-135.479.4148.751.10000109.2T545 V549T545-T547 PolarHBondContact O-N 3.1Å; T545-T547 VanDerWaalsContact O-N 3.13Å; T547-V549 PolarHBondContact O-N 2.72Å
548G47.8Very low52.9Low82 Ų82123.6 Ų123.685%0.84566%0.66SS**  trans-73.552.7-177.300000114.4Q550G548-Q550 PolarHBondContact O-N 3.48Å
549V49.2Very low55.4Low122 Ų122119.5 Ų119.574%0.73964%0.638SS**  trans-84.3109.5171.7-176.80000107.7T547 N551T547-V549 PolarHBondContact O-N 2.72Å; V549-N551 PolarHBondContact O-N 3.38Å
550Q56.4Low57.7Low122 Ų122115.2 Ų115.257%0.5762%0.621SS**  trans-57.2135.2167.9-73.4-167.2-4.100109G548 P552 H557G548-Q550 PolarHBondContact O-N 3.48Å; Q550-P552 WeakPolarHBondContact O-CD 3.18Å; Q550-P552 VanDerWaalsContact O-N 3.17Å; Q550-H557 PolarHBondContact OE1-ND1 3.02Å; Q550-H557 VanDerWaalsContact OE1-ND1 3.12Å
551N64.8Low60.3Low93 Ų93114.1 Ų114.150%0.49762%0.616SS.*  trans-67.2113.8179.4177.52.9000109.8V549 F553 S554V549-N551 PolarHBondContact O-N 3.38Å; N551-F553 PolarHBondContact O-N 3.41Å; N551-F553 VanDerWaalsContact O-N 3.08Å; N551-F553 PolarHBondContact OD1-N 3.29Å; N551-S554 WeakPolarHBondContact O-CB 3.49Å; N551-S554 PolarHBondContact O-N 2.83Å; N551-S554 PolarHBondContact O-OG 2.92Å
552P62.9Low62.9Low76 Ų76109.4 Ų109.449%0.49459%0.586SS.*THydrogen-bonded Turntrans-67.8-11.4-17729.4-35.9000112.9Q550Q550-P552 WeakPolarHBondContact O-CD 3.18Å; Q550-P552 VanDerWaalsContact O-N 3.17Å
553F57.6Low65Low183 Ų183108.5 Ų108.580%0.80358%0.579SS**THydrogen-bonded Turntrans-100.417174.8-53.1-72.5000113.5N551N551-F553 PolarHBondContact O-N 3.41Å; N551-F553 VanDerWaalsContact O-N 3.08Å; N551-F553 PolarHBondContact OD1-N 3.29Å
554S79.9Confident67.5Low37 Ų37100.3 Ų100.326%0.25956%0.558SS.*  trans-85.6139.9174.563.20000111.8N551 N556 H557 F558N551-S554 WeakPolarHBondContact O-CB 3.49Å; N551-S554 PolarHBondContact O-N 2.83Å; N551-S554 PolarHBondContact O-OG 2.92Å; S554-N556 PolarHBondContact O-N 2.88Å; S554-H557 PolarHBondContact O-N 3.07Å; S554-H557 VanDerWaalsContact O-N 3.15Å; S554-H557 VanDerWaalsContact OG-CB 3.23Å; S554-H557 WeakPolarHBondContact OG-CB 3.29Å; S554-H557 PolarHBondContact OG-N 2.91Å; S554-F558 PolarHBondContact O-N 3.22Å; S554-F558 VanDerWaalsContact O-N 3.13Å
555D73.6Confident69.9Low74 Ų74102.9 Ų102.940%0.39655%0.553SS.*Hα-helixtrans-60.1-33.1-179.9-60.6-67.5000111.5C3 L559C3-D555 PolarHBondContact SG-OD1 3.29Å; D555-L559 WeakPolarHBondContact O-CB 3.47Å; D555-L559 VanDerWaalsContact O-CG 3.29Å; D555-L559 WeakPolarHBondContact O-CG 3.48Å; D555-L559 PolarHBondContact O-N 3.43Å
556N81.2Confident72.4Confident110 Ų110100.2 Ų100.259%0.58853%0.532SS*.Hα-helixtrans-62.7-48.8174.2-70.516.9000112.1S554 F558 L559 E560S554-N556 PolarHBondContact O-N 2.88Å; N556-F558 VanDerWaalsContact C-N 3.33Å; N556-F558 PolarHBondContact O-N 3.5Å; N556-L559 CarbonylContact O-C 3.33Å; N556-L559 PolarHBondContact O-N 3.19Å; N556-E560 WeakPolarHBondContact O-CB 3.48Å; N556-E560 WeakPolarHBondContact O-CG 3.5Å; N556-E560 PolarHBondContact O-N 2.87Å
557H86Confident74.6Confident63 Ų6398.9 Ų98.929%0.29253%0.526SS..Hα-helixtrans-63.8-38.4-179.9-174.479.1000111.9Q550 S554 E560 M561Q550-H557 PolarHBondContact OE1-ND1 3.02Å; Q550-H557 VanDerWaalsContact OE1-ND1 3.12Å; S554-H557 PolarHBondContact O-N 3.07Å; S554-H557 VanDerWaalsContact O-N 3.15Å; S554-H557 VanDerWaalsContact OG-CB 3.23Å; S554-H557 WeakPolarHBondContact OG-CB 3.29Å; S554-H557 PolarHBondContact OG-N 2.91Å; H557-E560 PolarHBondContact O-N 2.87Å; H557-M561 WeakPolarHBondContact O-CB 3.24Å; H557-M561 PolarHBondContact O-N 3.42Å
558F84.1Confident77.2Confident113 Ų113101.1 Ų101.150%0.49653%0.528SS..Hα-helixtrans-63.4-42.4173176.1-101000112.3S554 N556 M561 I562S554-F558 PolarHBondContact O-N 3.22Å; S554-F558 VanDerWaalsContact O-N 3.13Å; N556-F558 VanDerWaalsContact C-N 3.33Å; N556-F558 PolarHBondContact O-N 3.5Å; F558-M561 HydrophobicContact CD2-CE 4.01Å; F558-M561 HydrophobicContact CE2-CE 4.35Å; F558-M561 PolarHBondContact O-N 3.3Å; F558-I562 HydrophobicContact CD1-CD1 4.43Å; F558-I562 HydrophobicContact CD2-CD1 4.19Å; F558-I562 HydrophobicContact CE1-CD1 3.82Å; F558-I562 HydrophobicContact CE2-CD1 3.54Å; F558-I562 HydrophobicContact CZ-CD1 3.33Å; F558-I562 PolarHBondContact O-N 3.27Å; F558-I562 VanDerWaalsContact O-N 3.12Å
559L86.4Confident79.4Confident90 Ų9099.1 Ų99.147%0.47150%0.497SS..Hα-helixtrans-68.9-36.4175-71.4170.6000112.1D555 N556 I562 K563D555-L559 WeakPolarHBondContact O-CB 3.47Å; D555-L559 VanDerWaalsContact O-CG 3.29Å; D555-L559 WeakPolarHBondContact O-CG 3.48Å; D555-L559 PolarHBondContact O-N 3.43Å; N556-L559 CarbonylContact O-C 3.33Å; N556-L559 PolarHBondContact O-N 3.19Å; L559-I562 PolarHBondContact O-N 3.38Å; L559-K563 WeakPolarHBondContact O-CB 3.35Å; L559-K563 WeakPolarHBondContact O-CD 3.26Å; L559-K563 WeakPolarHBondContact O-CG 3.36Å; L559-K563 PolarHBondContact O-N 3.38Å
560E87.4Confident81.5Confident88 Ų8896.9 Ų96.941%0.41148%0.481SS..Hα-helixtrans-66-36.6174.3-76.4159.7-154.300112.3N556 H557 P564N556-E560 WeakPolarHBondContact O-CB 3.48Å; N556-E560 WeakPolarHBondContact O-CG 3.5Å; N556-E560 PolarHBondContact O-N 2.87Å; H557-E560 PolarHBondContact O-N 2.87Å; E560-P564 WeakPolarHBondContact O-CD 3.23Å
561M86.7Confident83.2Confident108 Ų10896.2 Ų96.253%0.53249%0.487SS..Hα-helixtrans-66.9-39.3173.3-176.2-176.770.300112.7H557 F558H557-M561 WeakPolarHBondContact O-CB 3.24Å; H557-M561 PolarHBondContact O-N 3.42Å; F558-M561 HydrophobicContact CD2-CE 4.01Å; F558-M561 HydrophobicContact CE2-CE 4.35Å; F558-M561 PolarHBondContact O-N 3.3Å
562I86.6Confident84.4Confident28 Ų28100.3 Ų100.314%0.14450%0.496CS..Hα-helixtrans-89.1-25.1-176.3-69.1-178000113F558 L559 Q565 M566 F577F558-I562 HydrophobicContact CD1-CD1 4.43Å; F558-I562 HydrophobicContact CD2-CD1 4.19Å; F558-I562 HydrophobicContact CE1-CD1 3.82Å; F558-I562 HydrophobicContact CE2-CD1 3.54Å; F558-I562 HydrophobicContact CZ-CD1 3.33Å; F558-I562 PolarHBondContact O-N 3.27Å; F558-I562 VanDerWaalsContact O-N 3.12Å; L559-I562 PolarHBondContact O-N 3.38Å; I562-Q565 PolarHBondContact O-N 3.1Å; I562-M566 HydrophobicContact CG2-CG 3.73Å; I562-M566 HydrophobicContact CG2-SD 3.8Å; I562-M566 WeakPolarHBondContact O-CB 3.4Å; I562-M566 PolarHBondContact O-N 3.49Å; I562-F577 HydrophobicContact CG2-CZ 4.48Å
563K87.5Confident85.8Confident126 Ų126101.4 Ų101.455%0.54849%0.494SS..Hα-helixtrans-50.2-49.4179-92.4165.5-175175.30113.3L559 M566 Q567L559-K563 WeakPolarHBondContact O-CB 3.35Å; L559-K563 WeakPolarHBondContact O-CD 3.26Å; L559-K563 WeakPolarHBondContact O-CG 3.36Å; L559-K563 PolarHBondContact O-N 3.38Å; K563-M566 CarbonylContact O-C 3.52Å; K563-M566 PolarHBondContact O-N 3.26Å; K563-Q567 WeakPolarHBondContact O-CB 3.5Å; K563-Q567 PolarHBondContact O-N 3.27Å
564P90.1Very high87.4Confident77 Ų7796.6 Ų96.650%0.547%0.473SS..Hα-helixtrans-61-45.5178.1-24.634.6000112.9E560 M566 Q567 E568E560-P564 WeakPolarHBondContact O-CD 3.23Å; P564-M566 PolarHBondContact O-N 3.19Å; P564-Q567 WeakPolarHBondContact O-CB 3.27Å; P564-Q567 PolarHBondContact O-N 2.83Å; P564-E568 PolarHBondContact O-N 3.13Å
565Q86.6Confident88Confident119 Ų11998.6 Ų98.656%0.55648%0.479SS*.Hα-helixtrans-63.1-42.9178-62.4-178.6-13.800111.1I562 Q567 E568 M569I562-Q565 PolarHBondContact O-N 3.1Å; Q565-Q567 VanDerWaalsContact C-N 3.29Å; Q565-Q567 PolarHBondContact O-N 3.16Å; Q565-E568 PolarHBondContact O-N 2.85Å; Q565-M569 WeakPolarHBondContact O-CG 3.38Å; Q565-M569 PolarHBondContact O-N 3.23Å
566M86.7Confident88.8Confident80 Ų8099.6 Ų99.639%0.39448%0.481SS..Hα-helixtrans-66-28.1172.6-85.2-173.361.200113.2I562 K563 P564 K574 F577I562-M566 HydrophobicContact CG2-CG 3.73Å; I562-M566 HydrophobicContact CG2-SD 3.8Å; I562-M566 WeakPolarHBondContact O-CB 3.4Å; I562-M566 PolarHBondContact O-N 3.49Å; K563-M566 CarbonylContact O-C 3.52Å; K563-M566 PolarHBondContact O-N 3.26Å; P564-M566 PolarHBondContact O-N 3.19Å; M566-K574 WeakPolarHBondContact O-CE 3.45Å; M566-K574 PolarHBondContact O-NZ 3.16Å; M566-F577 HydrophobicContact CG-CE1 4.25Å; M566-F577 HydrophobicContact SD-CE1 3.85Å
567Q88.9Confident89.4Confident162 Ų16298.2 Ų98.276%0.75747%0.47SS*.Hα-helixtrans-69.4-50.4175.3-172.1169.6-4.900109.9K563 P564 Q565 M569 K574K563-Q567 WeakPolarHBondContact O-CB 3.5Å; K563-Q567 PolarHBondContact O-N 3.27Å; P564-Q567 WeakPolarHBondContact O-CB 3.27Å; P564-Q567 PolarHBondContact O-N 2.83Å; Q565-Q567 VanDerWaalsContact C-N 3.29Å; Q565-Q567 PolarHBondContact O-N 3.16Å; Q567-M569 PolarHBondContact O-N 3.08Å; Q567-K574 PolarHBondContact O-NZ 3.1Å
568E91.5Very high89.7Confident171 Ų171101.3 Ų101.380%0.79948%0.483SS*.Hα-helixtrans-62.5-36.5179.4-171.8176.1-167.200113.9P564 Q565 N570P564-E568 PolarHBondContact O-N 3.13Å; Q565-E568 PolarHBondContact O-N 2.85Å; E568-N570 PolarHBondContact O-N 3.5Å
569M92.4Very high90Very high39 Ų39102.1 Ų102.119%0.19249%0.486CS..SBendtrans-59.1132.1179.9-78.9161.654.500113.5Q565 Q567 Q573 K574 F577Q565-M569 WeakPolarHBondContact O-CG 3.38Å; Q565-M569 PolarHBondContact O-N 3.23Å; Q567-M569 PolarHBondContact O-N 3.08Å; M569-Q573 HydrophobicContact CB-CB 4.02Å; M569-Q573 HydrophobicContact CE-CB 4.24Å; M569-Q573 WeakPolarHBondContact CE-O 3.43Å; M569-Q573 HydrophobicContact CG-CB 4.2Å; M569-K574 HydrophobicContact CB-CG 4.02Å; M569-K574 HydrophobicContact CE-CG 4.35Å; M569-K574 WeakPolarHBondContact O-CD 3.36Å; M569-K574 WeakPolarHBondContact O-CE 3.44Å; M569-K574 PolarHBondContact O-NZ 3.46Å; M569-F577 HydrophobicContact CE-CB 3.42Å; M569-F577 VanDerWaalsContact CE-CB 3.42Å; M569-F577 HydrophobicContact CE-CD1 4.24Å; M569-F577 HydrophobicContact CE-CD2 4.47Å; M569-F577 HydrophobicContact CE-CG 3.83Å
570N93.8Very high90.2Very high76 Ų76105.8 Ų105.841%0.40650%0.498SS..  trans-69165.9175.676.235.3000112.6E568 R572 Q573 K574E568-N570 PolarHBondContact O-N 3.5Å; N570-R572 VanDerWaalsContact C-N 3.26Å; N570-R572 PolarHBondContact O-N 3.41Å; N570-R572 WeakPolarHBondContact OD1-CB 3.43Å; N570-R572 PolarHBondContact OD1-N 3Å; N570-R572 VanDerWaalsContact OD1-N 3.08Å; N570-Q573 PolarHBondContact O-N 3.08Å; N570-Q573 VanDerWaalsContact O-N 3.13Å; N570-Q573 WeakPolarHBondContact OD1-CG 3.48Å; N570-Q573 PolarHBondContact OD1-N 2.78Å; N570-K574 WeakPolarHBondContact O-CG 3.47Å; N570-K574 PolarHBondContact O-N 3.29Å
571P92.6Very high90.3Very high108 Ų108104.6 Ų104.670%0.70150%0.497SS*.Hα-helixtrans-57.3-33.6-176.6-28.236.6000114.8M575P571-M575 WeakPolarHBondContact O-CB 3.17Å; P571-M575 PolarHBondContact O-N 3.02Å
572R90.3Very high90.3Very high179 Ų179105 Ų10568%0.67550%0.496SS*.Hα-helixtrans-70.6-44.8177.1-171.9177-72.3-102.14.4110.8N570 M575 H576N570-R572 VanDerWaalsContact C-N 3.26Å; N570-R572 PolarHBondContact O-N 3.41Å; N570-R572 WeakPolarHBondContact OD1-CB 3.43Å; N570-R572 PolarHBondContact OD1-N 3Å; N570-R572 VanDerWaalsContact OD1-N 3.08Å; R572-M575 WeakPolarHBondContact O-CB 3.35Å; R572-M575 PolarHBondContact O-N 3.21Å; R572-H576 PolarHBondContact O-CD2 3.33Å; R572-H576 PolarHBondContact O-N 2.86Å
573Q91.7Very high90.4Very high98 Ų98109.5 Ų109.546%0.45852%0.516SS..Hα-helixtrans-61.2-44.1172.8-70.9166.1-28.700111.7M569 N570 M575 H576 F577M569-Q573 HydrophobicContact CB-CB 4.02Å; M569-Q573 HydrophobicContact CE-CB 4.24Å; M569-Q573 WeakPolarHBondContact CE-O 3.43Å; M569-Q573 HydrophobicContact CG-CB 4.2Å; N570-Q573 PolarHBondContact O-N 3.08Å; N570-Q573 VanDerWaalsContact O-N 3.13Å; N570-Q573 WeakPolarHBondContact OD1-CG 3.48Å; N570-Q573 PolarHBondContact OD1-N 2.78Å; Q573-M575 VanDerWaalsContact C-N 3.28Å; Q573-M575 PolarHBondContact O-N 3.42Å; Q573-H576 PolarHBondContact O-N 3.08Å; Q573-F577 WeakPolarHBondContact O-CB 3.38Å; Q573-F577 PolarHBondContact O-N 2.94Å
574K92.1Very high90.1Very high82 Ų82105.8 Ų105.836%0.35751%0.509SS..Hα-helixtrans-55.5-42.2172.2-74.7171.1155.2100.50111.4M566 Q567 M569 N570 K578M566-K574 WeakPolarHBondContact O-CE 3.45Å; M566-K574 PolarHBondContact O-NZ 3.16Å; Q567-K574 PolarHBondContact O-NZ 3.1Å; M569-K574 HydrophobicContact CB-CG 4.02Å; M569-K574 HydrophobicContact CE-CG 4.35Å; M569-K574 WeakPolarHBondContact O-CD 3.36Å; M569-K574 WeakPolarHBondContact O-CE 3.44Å; M569-K574 PolarHBondContact O-NZ 3.46Å; N570-K574 WeakPolarHBondContact O-CG 3.47Å; N570-K574 PolarHBondContact O-N 3.29Å; K574-K578 VanDerWaalsContact O-CB 3.24Å; K574-K578 WeakPolarHBondContact O-CB 3.38Å; K574-K578 PolarHBondContact O-N 2.86Å
575M92.8Very high89.7Confident80 Ų80105.3 Ų105.339%0.39450%0.502SS..Hα-helixtrans-68.8-41.6176-175.2-91.8-72.800113.1P571 R572 Q573 K578 K579P571-M575 WeakPolarHBondContact O-CB 3.17Å; P571-M575 PolarHBondContact O-N 3.02Å; R572-M575 WeakPolarHBondContact O-CB 3.35Å; R572-M575 PolarHBondContact O-N 3.21Å; Q573-M575 VanDerWaalsContact C-N 3.28Å; Q573-M575 PolarHBondContact O-N 3.42Å; M575-K578 PolarHBondContact O-N 2.87Å; M575-K579 WeakPolarHBondContact O-CG 3.22Å; M575-K579 PolarHBondContact O-N 3.36Å; M575-K579 HydrophobicContact SD-CD 3.79Å; M575-K579 VanDerWaalsContact SD-CE 3.58Å; M575-K579 HydrophobicContact SD-CG 4.24Å
576H90.4Very high89.4Confident95 Ų95104.7 Ų104.744%0.4450%0.5SS..Hα-helixtrans-68-39.4174.9-73.4-72.8000113.1R572 Q573 K579 K580R572-H576 PolarHBondContact O-CD2 3.33Å; R572-H576 PolarHBondContact O-N 2.86Å; Q573-H576 PolarHBondContact O-N 3.08Å; H576-K579 PolarHBondContact O-N 2.93Å; H576-K580 PolarHBondContact O-N 3.35Å
577F92.4Very high89Confident80 Ų80106.9 Ų106.935%0.35151%0.51SS..Hα-helixtrans-62.3-46.6172.7174.1-102.7000111I562 M566 M569 Q573 K579 K580 V581I562-F577 HydrophobicContact CG2-CZ 4.48Å; M566-F577 HydrophobicContact CG-CE1 4.25Å; M566-F577 HydrophobicContact SD-CE1 3.85Å; M569-F577 HydrophobicContact CE-CB 3.42Å; M569-F577 VanDerWaalsContact CE-CB 3.42Å; M569-F577 HydrophobicContact CE-CD1 4.24Å; M569-F577 HydrophobicContact CE-CD2 4.47Å; M569-F577 HydrophobicContact CE-CG 3.83Å; Q573-F577 WeakPolarHBondContact O-CB 3.38Å; Q573-F577 PolarHBondContact O-N 2.94Å; F577-K579 VanDerWaalsContact C-N 3.34Å; F577-K579 PolarHBondContact O-N 2.92Å; F577-K580 PolarHBondContact O-N 2.9Å; F577-V581 HydrophobicContact CD1-CG2 4.43Å; F577-V581 HydrophobicContact CD2-CG2 4.49Å; F577-V581 HydrophobicContact CE1-CG2 4.12Å; F577-V581 HydrophobicContact CE2-CG2 4.18Å; F577-V581 HydrophobicContact CZ-CG2 3.99Å; F577-V581 WeakPolarHBondContact O-CG2 3.28Å; F577-V581 PolarHBondContact O-N 2.64Å
578K92.1Very high87.9Confident128 Ų128103.2 Ų103.256%0.55750%0.498SS*.Hα-helixtrans-55.1-48.3171.9-175.4176.3179.7-177.40111K574 M575 K580 V581 F582K574-K578 VanDerWaalsContact O-CB 3.24Å; K574-K578 WeakPolarHBondContact O-CB 3.38Å; K574-K578 PolarHBondContact O-N 2.86Å; M575-K578 PolarHBondContact O-N 2.87Å; K578-K580 PolarHBondContact O-N 3.39Å; K578-V581 PolarHBondContact O-N 2.71Å; K578-F582 HydrophobicContact CD-CE2 4.44Å; K578-F582 HydrophobicContact CG-CD2 3.8Å; K578-F582 HydrophobicContact CG-CE2 3.79Å; K578-F582 VanDerWaalsContact O-CD2 3.29Å; K578-F582 WeakPolarHBondContact O-CD2 3.41Å; K578-F582 PolarHBondContact O-N 3.45Å
579K90.9Very high86.3Confident131 Ų131100.4 Ų100.457%0.5748%0.484SS*.Hα-helixtrans-57.1-48.3174.6-79-173.6172.7-172.20112.3M575 H576 F577 V581 F582 Q583M575-K579 WeakPolarHBondContact O-CG 3.22Å; M575-K579 PolarHBondContact O-N 3.36Å; M575-K579 HydrophobicContact SD-CD 3.79Å; M575-K579 VanDerWaalsContact SD-CE 3.58Å; M575-K579 HydrophobicContact SD-CG 4.24Å; H576-K579 PolarHBondContact O-N 2.93Å; F577-K579 VanDerWaalsContact C-N 3.34Å; F577-K579 PolarHBondContact O-N 2.92Å; K579-V581 PolarHBondContact O-N 3.24Å; K579-F582 PolarHBondContact O-N 3.41Å; K579-Q583 WeakPolarHBondContact O-CB 3.44Å; K579-Q583 PolarHBondContact O-N 3.28Å
580K91.2Very high84.6Confident166 Ų166103.9 Ų103.972%0.72250%0.503SS*.Hα-helixtrans-61-40.4177-74.9-168.2174.3-167.90112.9H576 F577 K578 Q583 A584H576-K580 PolarHBondContact O-N 3.35Å; F577-K580 PolarHBondContact O-N 2.9Å; K578-K580 PolarHBondContact O-N 3.39Å; K580-Q583 PolarHBondContact O-N 2.77Å; K580-A584 WeakPolarHBondContact O-CB 3.17Å; K580-A584 PolarHBondContact O-N 2.83Å
581V89.6Confident82.3Confident63 Ų63104.8 Ų104.838%0.38251%0.508SS..Hα-helixtrans-65.1-41.8175.2171.10000111.3F577 K578 K579 L585F577-V581 HydrophobicContact CD1-CG2 4.43Å; F577-V581 HydrophobicContact CD2-CG2 4.49Å; F577-V581 HydrophobicContact CE1-CG2 4.12Å; F577-V581 HydrophobicContact CE2-CG2 4.18Å; F577-V581 HydrophobicContact CZ-CG2 3.99Å; F577-V581 WeakPolarHBondContact O-CG2 3.28Å; F577-V581 PolarHBondContact O-N 2.64Å; K578-V581 PolarHBondContact O-N 2.71Å; K579-V581 PolarHBondContact O-N 3.24Å; V581-L585 HydrophobicContact CG1-CD1 4.05Å; V581-L585 WeakPolarHBondContact O-CB 3.48Å; V581-L585 WeakPolarHBondContact O-CD1 3.37Å; V581-L585 WeakPolarHBondContact O-CG 3.34Å; V581-L585 PolarHBondContact O-N 3.46Å
582F87.1Confident80.1Confident118 Ų118103.2 Ų103.252%0.51850%0.504SS..Hα-helixtrans-67.2-39.5174.7-86.5-76.9000112.6K578 K579 L585 M586K578-F582 HydrophobicContact CD-CE2 4.44Å; K578-F582 HydrophobicContact CG-CD2 3.8Å; K578-F582 HydrophobicContact CG-CE2 3.79Å; K578-F582 VanDerWaalsContact O-CD2 3.29Å; K578-F582 WeakPolarHBondContact O-CD2 3.41Å; K578-F582 PolarHBondContact O-N 3.45Å; K579-F582 PolarHBondContact O-N 3.41Å; F582-L585 WeakPolarHBondContact O-CB 3.39Å; F582-L585 PolarHBondContact O-N 3.1Å; F582-M586 PolarHBondContact O-N 3.39Å
583Q87.4Confident78.1Confident121 Ų12199.8 Ų99.857%0.56550%0.504SS*.Hα-helixtrans-61.5-54.6176.6-170.163.832.900111.2K579 K580 L585 M586 E587K579-Q583 WeakPolarHBondContact O-CB 3.44Å; K579-Q583 PolarHBondContact O-N 3.28Å; K580-Q583 PolarHBondContact O-N 2.77Å; Q583-L585 PolarHBondContact O-N 3.23Å; Q583-M586 PolarHBondContact O-N 3.03Å; Q583-E587 VanDerWaalsContact O-CB 3.28Å; Q583-E587 WeakPolarHBondContact O-CB 3.21Å; Q583-E587 PolarHBondContact O-N 2.98Å
584A81.1Confident75.8Confident48 Ų48102 Ų10240%0.39752%0.518SS..Hα-helixtrans-63.6-24178.500000112.9K580 T588K580-A584 WeakPolarHBondContact O-CB 3.17Å; K580-A584 PolarHBondContact O-N 2.83Å; A584-T588 WeakPolarHBondContact O-CB 3.44Å; A584-T588 WeakPolarHBondContact O-CG2 3.34Å; A584-T588 PolarHBondContact O-N 3.23Å; A584-T588 PolarHBondContact O-OG1 3.1Å
585L81.5Confident73.4Confident68 Ų68105.4 Ų105.436%0.35653%0.533SS..Hα-helixtrans-71-50.3169.1-77.8169.1000111.5V581 F582 Q583 T588 F589V581-L585 HydrophobicContact CG1-CD1 4.05Å; V581-L585 WeakPolarHBondContact O-CB 3.48Å; V581-L585 WeakPolarHBondContact O-CD1 3.37Å; V581-L585 WeakPolarHBondContact O-CG 3.34Å; V581-L585 PolarHBondContact O-N 3.46Å; F582-L585 WeakPolarHBondContact O-CB 3.39Å; F582-L585 PolarHBondContact O-N 3.1Å; Q583-L585 PolarHBondContact O-N 3.23Å; L585-T588 CarbonylContact O-C 3.58Å; L585-T588 PolarHBondContact O-N 3.41Å; L585-T588 PolarHBondContact O-OG1 3.32Å; L585-F589 HydrophobicContact CD2-CE2 4.3Å; L585-F589 WeakPolarHBondContact O-CB 3.5Å; L585-F589 WeakPolarHBondContact O-CD2 3.28Å; L585-F589 PolarHBondContact O-N 2.84Å
586M80.1Confident71Confident105 Ų105107.5 Ų107.552%0.51755%0.553SS.*Hα-helixtrans-62.3-51.5179.3-76.1-17164.600112F582 Q583 T588 F589 D590F582-M586 PolarHBondContact O-N 3.39Å; Q583-M586 PolarHBondContact O-N 3.03Å; M586-T588 VanDerWaalsContact C-N 3.29Å; M586-T588 PolarHBondContact O-N 3.19Å; M586-F589 CarbonylContact O-C 3.35Å; M586-F589 WeakPolarHBondContact O-CA 3.43Å; M586-F589 PolarHBondContact O-N 3.39Å; M586-D590 WeakPolarHBondContact CE-OD2 3.1Å; M586-D590 WeakPolarHBondContact O-CB 3.4Å; M586-D590 PolarHBondContact O-N 3.05Å
587E79.9Confident68.5Low126 Ų126108.6 Ų108.659%0.58957%0.567SS**Hα-helixtrans-44.3-53.4171.8-176.6-175.2168.200111.3Q583 F589 D591Q583-E587 VanDerWaalsContact O-CB 3.28Å; Q583-E587 WeakPolarHBondContact O-CB 3.21Å; Q583-E587 PolarHBondContact O-N 2.98Å; E587-F589 PolarHBondContact O-N 3.41Å; E587-F589 VanDerWaalsContact O-N 3.16Å; E587-D591 WeakPolarHBondContact O-CB 3.43Å; E587-D591 PolarHBondContact O-N 3.07Å
588T65.4Low66.5Low85 Ų85110.5 Ų110.552%0.52159%0.59SS.*Hα-helixtrans-81.714.8179.363.30000115K4 A584 L585 M586K4-T588 VanDerWaalsContact NZ-C 3.26Å; K4-T588 PolarHBondContact NZ-O 3.09Å; K4-T588 PolarHBondContact NZ-OG1 3.19Å; A584-T588 WeakPolarHBondContact O-CB 3.44Å; A584-T588 WeakPolarHBondContact O-CG2 3.34Å; A584-T588 PolarHBondContact O-N 3.23Å; A584-T588 PolarHBondContact O-OG1 3.1Å; L585-T588 CarbonylContact O-C 3.58Å; L585-T588 PolarHBondContact O-N 3.41Å; L585-T588 PolarHBondContact O-OG1 3.32Å; M586-T588 VanDerWaalsContact C-N 3.29Å; M586-T588 PolarHBondContact O-N 3.19Å
589F57.9Low64.1Low113 Ų113114 Ų11450%0.49661%0.605SS.*Hα-helixtrans-129.7-31.5177.3-92.3-60000113.8K4 L585 M586 E587K4-F589 HydrophobicContact CD-CE2 4.48Å; K4-F589 HydrophobicContact CD-CZ 4.39Å; K4-F589 VanDerWaalsContact CE-CD2 3.49Å; K4-F589 HydrophobicContact CG-CZ 4.33Å; L585-F589 HydrophobicContact CD2-CE2 4.3Å; L585-F589 WeakPolarHBondContact O-CB 3.5Å; L585-F589 WeakPolarHBondContact O-CD2 3.28Å; L585-F589 PolarHBondContact O-N 2.84Å; M586-F589 CarbonylContact O-C 3.35Å; M586-F589 WeakPolarHBondContact O-CA 3.43Å; M586-F589 PolarHBondContact O-N 3.39Å; E587-F589 PolarHBondContact O-N 3.41Å; E587-F589 VanDerWaalsContact O-N 3.16Å
590D55.6Low61.5Low111 Ų111115.1 Ų115.159%0.59461%0.612SS**Hα-helixtrans-90.7-17179.6-67.5-45.8000112.3M586 A592M586-D590 WeakPolarHBondContact CE-OD2 3.1Å; M586-D590 WeakPolarHBondContact O-CB 3.4Å; M586-D590 PolarHBondContact O-N 3.05Å; D590-A592 VanDerWaalsContact C-N 3.28Å; D590-A592 PolarHBondContact O-N 2.91Å
591D45.6Very low59.4Low95 Ų95115 Ų11551%0.50862%0.619SS.*  trans-68.985.1170.9-159.7-9.5000111.1E587 T593 D594E587-D591 WeakPolarHBondContact O-CB 3.43Å; E587-D591 PolarHBondContact O-N 3.07Å; D591-T593 VanDerWaalsContact CG-OG1 3.31Å; D591-T593 PolarHBondContact O-N 3.28Å; D591-T593 WeakPolarHBondContact OD1-CB 3.28Å; D591-T593 WeakPolarHBondContact OD1-CG2 3.36Å; D591-T593 PolarHBondContact OD1-N 2.63Å; D591-T593 PolarHBondContact OD1-OG1 2.82Å; D591-D594 PolarHBondContact O-N 3.27Å
592A47.1Very low57.1Low76 Ų76119 Ų11963%0.62863%0.633SS**THydrogen-bonded Turntrans-68.90.2-177.400000113.6D590D590-A592 VanDerWaalsContact C-N 3.28Å; D590-A592 PolarHBondContact O-N 2.91Å
593T47.6Very low54.5Low107 Ų107122.4 Ų122.466%0.65665%0.65SS**THydrogen-bonded Turntrans-79.1-31.8175.867.60000112.8D591 F595D591-T593 VanDerWaalsContact CG-OG1 3.31Å; D591-T593 PolarHBondContact O-N 3.28Å; D591-T593 WeakPolarHBondContact OD1-CB 3.28Å; D591-T593 WeakPolarHBondContact OD1-CG2 3.36Å; D591-T593 PolarHBondContact OD1-N 2.63Å; D591-T593 PolarHBondContact OD1-OG1 2.82Å; T593-F595 PolarHBondContact O-N 3.36Å
594D43.4Very low52Low143 Ų143125.5 Ų125.577%0.76566%0.662SS**  trans-79.324.2-179-164.739.4000113.5D591D591-D594 PolarHBondContact O-N 3.27Å
595F41.9Very low49.6Very low154 Ų154130.2 Ų130.268%0.67568%0.681SS**SBendtrans-85119.2153.8-77.3-88.1000107.8T593 T597T593-F595 PolarHBondContact O-N 3.36Å; F595-T597 PolarHBondContact O-N 2.85Å
596P42.4Very low47.6Very low124 Ų124134.4 Ų134.481%0.80570%0.702SS**  trans-60.8102.2177.724-33.3000109.7S598P596-S598 PolarHBondContact O-N 3.02Å
597T39Very low45.5Very low119 Ų119137 Ų13773%0.7372%0.718SS**  trans-61.8131.6179.946.10000108.4F595 K599F595-T597 PolarHBondContact O-N 2.85Å; T597-K599 VanDerWaalsContact C-N 3.3Å; T597-K599 PolarHBondContact O-N 3.13Å
598S48.8Very low43.4Very low119 Ų119136 Ų13683%0.83272%0.721SS**THydrogen-bonded Turntrans-76.174.7-152.962.80000113.6P596P596-S598 PolarHBondContact O-N 3.02Å
599K42.9Very low42.1Very low201 Ų201137.9 Ų137.987%0.87473%0.734SS**THydrogen-bonded Turntrans-167.5-20.9167.4-111.8158.4-172.2178.20116.2T597 L601T597-K599 VanDerWaalsContact C-N 3.3Å; T597-K599 PolarHBondContact O-N 3.13Å; K599-L601 PolarHBondContact O-N 3.47Å
600E35Very low41.5Very low156 Ų156135.8 Ų135.873%0.72973%0.733SS**  trans-78.1112-176.5-168.3162-164.600112.1Q602E600-Q602 VanDerWaalsContact C-N 3.32Å; E600-Q602 HydrophobicContact CG-CG 4.24Å; E600-Q602 PolarHBondContact O-N 3.23Å; E600-Q602 VanDerWaalsContact O-N 3.16Å
601L47.2Very low41Very low163 Ų163134 Ų13485%0.85374%0.741SS**  trans-8376.3171.5-77.1167.4000109.5K599 H603K599-L601 PolarHBondContact O-N 3.47Å; L601-H603 PolarHBondContact O-N 2.87Å
602Q41.3Very low41.2Very low148 Ų148136.7 Ų136.769%0.69275%0.749SS**  trans-60.8124.6163.2-71.9-164.72.100109.1E600 F604E600-Q602 VanDerWaalsContact C-N 3.32Å; E600-Q602 HydrophobicContact CG-CG 4.24Å; E600-Q602 PolarHBondContact O-N 3.23Å; E600-Q602 VanDerWaalsContact O-N 3.16Å; Q602-F604 PolarHBondContact O-N 3.39Å; Q602-F604 VanDerWaalsContact O-N 3.1Å
603H33.7Very low41.6Very low189 Ų189140.3 Ų140.388%0.87575%0.753SS**  trans-67.5107.6178.5-94.4-106.4000110L601 N605L601-H603 PolarHBondContact O-N 2.87Å; H603-N605 PolarHBondContact O-N 3.14Å
604F34.3Very low41.6Very low186 Ų186143.2 Ų143.282%0.81676%0.758SS**  trans-61.5123.1168.7-81.6-87.2000109.9Q602Q602-F604 PolarHBondContact O-N 3.39Å; Q602-F604 VanDerWaalsContact O-N 3.1Å
605N30.1Very low42.1Very low146 Ų146140 Ų14078%0.78174%0.741SS**  trans-62137.3176.9-112.3-41.8000110.5H603 N607H603-N605 PolarHBondContact O-N 3.14Å; N605-N607 PolarHBondContact O-N 3.36Å
606I40.4Very low43.4Very low156 Ų156136 Ų13680%0.873%0.728SS**SBendtrans-66.1-11-153-68.4167.8000114.8T608I606-T608 PolarHBondContact O-N 2.87Å
607N35.8Very low44.5Very low159 Ų159135.6 Ų135.685%0.8572%0.719SS**  trans-98.731.8-170.3-64.6-20.6000114.9N605N605-N607 PolarHBondContact O-N 3.36Å
608T36.3Very low45.9Very low107 Ų107133.5 Ų133.566%0.65671%0.708SS**SBendtrans-115.6122.3171.4-44.80000109.9I606 S610I606-T608 PolarHBondContact O-N 2.87Å; T608-S610 PolarHBondContact O-N 3.23Å
609P37.8Very low47Very low123 Ų123132.4 Ų132.480%0.79969%0.69SS**  trans-64.9130.6179.426.2-33.6000110.9G611P609-G611 PolarHBondContact O-N 3.47Å
610S44.8Very low48.5Very low69 Ų69125.9 Ų125.948%0.48366%0.664SS.*  trans-73.795.2-174.4-176.70000111.5T608 F612T608-S610 PolarHBondContact O-N 3.23Å; S610-F612 PolarHBondContact O-N 2.92Å
611G45.8Very low50Low73 Ų73125.5 Ų125.575%0.75366%0.656SS**THydrogen-bonded Turntrans-66.916.1175.400000115.6P609P609-G611 PolarHBondContact O-N 3.47Å
612F50.3Low51.6Low153 Ų153122.8 Ų122.867%0.67164%0.642SS**THydrogen-bonded Turntrans-131.710.1-172-71.8-60.2000114.9S610 H614 I615S610-F612 PolarHBondContact O-N 2.92Å; F612-H614 PolarHBondContact O-N 2.89Å; F612-I615 HydrophobicContact CD1-CD1 3.46Å; F612-I615 VanDerWaalsContact CD1-CD1 3.46Å; F612-I615 HydrophobicContact CD1-CG1 4.03Å; F612-I615 HydrophobicContact CE1-CD1 3.75Å; F612-I615 PolarHBondContact O-N 3.4Å
613E54.1Low53.5Low152 Ų152119.7 Ų119.771%0.7163%0.633SS**THydrogen-bonded Turntrans-62.20.3178.3-68.7176.3-174.900115.2
614H48.4Very low55.9Low168 Ų168119 Ų11978%0.77862%0.622SS**THydrogen-bonded Turntrans-123.5-1.6-178.3-61.8-5.8000114.3F612 T616F612-H614 PolarHBondContact O-N 2.89Å; H614-T616 PolarHBondContact O-N 2.68Å
615I54.1Low57.9Low76 Ų76115.5 Ų115.539%0.3961%0.609SS.*  trans-83.2117.2173.4-55.9-168.4000109.1F612 E619 L620F612-I615 HydrophobicContact CD1-CD1 3.46Å; F612-I615 VanDerWaalsContact CD1-CD1 3.46Å; F612-I615 HydrophobicContact CD1-CG1 4.03Å; F612-I615 HydrophobicContact CE1-CD1 3.75Å; F612-I615 PolarHBondContact O-N 3.4Å; I615-E619 HydrophobicContact CG2-CB 3.79Å; I615-L620 HydrophobicContact CG2-CD2 3.84Å; I615-L620 HydrophobicContact CG2-CG 3.85Å
616T68.8Low60.5Low68 Ų68112.7 Ų112.742%0.41759%0.593SS.*  trans-82.9154.7-177.966.40000112H614 P618 E619 L620H614-T616 PolarHBondContact O-N 2.68Å; T616-P618 VanDerWaalsContact C-CD 3.46Å; T616-P618 WeakPolarHBondContact OG1-CD 3.49Å; T616-P618 WeakPolarHBondContact OG1-CG 3.44Å; T616-E619 WeakPolarHBondContact CB-OE2 3.39Å; T616-E619 PolarHBondContact N-OE2 3.34Å; T616-E619 WeakPolarHBondContact O-CA 3.37Å; T616-E619 WeakPolarHBondContact O-CB 3.42Å; T616-E619 PolarHBondContact O-N 3.39Å; T616-E619 PolarHBondContact OG1-OE2 3.24Å; T616-L620 PolarHBondContact O-N 3.26Å
617D66Low62.4Low116 Ų116109.4 Ų109.462%0.6258%0.58SS**Hα-helixtrans-47.7-42174.5-91.1-29.8000115.7E619 L620 R621D617-E619 VanDerWaalsContact C-N 3.31Å; D617-E619 PolarHBondContact O-N 3.06Å; D617-L620 PolarHBondContact O-N 3.33Å; D617-R621 WeakPolarHBondContact O-CB 3.39Å; D617-R621 PolarHBondContact O-N 2.68Å
618P67.6Low64.2Low75 Ų75105.6 Ų105.649%0.48757%0.566SS.*Hα-helixtrans-65.2-30.517424.2-33.6000113.6T616 R621 L622T616-P618 VanDerWaalsContact C-CD 3.46Å; T616-P618 WeakPolarHBondContact OG1-CD 3.49Å; T616-P618 WeakPolarHBondContact OG1-CG 3.44Å; P618-R621 WeakPolarHBondContact O-CB 3.37Å; P618-R621 PolarHBondContact O-N 3.36Å; P618-L622 WeakPolarHBondContact O-CB 3.3Å; P618-L622 PolarHBondContact O-N 2.81Å
619E73Confident65.7Low96 Ų96105.8 Ų105.845%0.44956%0.561SS.*Hα-helixtrans-73.8-41.4174.9-66.4165.3120.400111.2I615 T616 D617 R621 L622 V623I615-E619 HydrophobicContact CG2-CB 3.79Å; T616-E619 WeakPolarHBondContact CB-OE2 3.39Å; T616-E619 PolarHBondContact N-OE2 3.34Å; T616-E619 WeakPolarHBondContact O-CA 3.37Å; T616-E619 WeakPolarHBondContact O-CB 3.42Å; T616-E619 PolarHBondContact O-N 3.39Å; T616-E619 PolarHBondContact OG1-OE2 3.24Å; D617-E619 VanDerWaalsContact C-N 3.31Å; D617-E619 PolarHBondContact O-N 3.06Å; E619-R621 VanDerWaalsContact C-N 3.26Å; E619-R621 PolarHBondContact O-N 3.43Å; E619-L622 WeakPolarHBondContact O-CB 3.45Å; E619-L622 PolarHBondContact O-N 3.16Å; E619-L622 VanDerWaalsContact O-N 3.13Å; E619-V623 WeakPolarHBondContact O-CG2 3.47Å; E619-V623 PolarHBondContact O-N 2.65Å
620L73.5Confident67.5Low64 Ų64104.4 Ų104.434%0.33555%0.55SS..Hα-helixtrans-59.9-36.9169.8-69.6178.3000111.9I615 T616 D617 R624I615-L620 HydrophobicContact CG2-CD2 3.84Å; I615-L620 HydrophobicContact CG2-CG 3.85Å; T616-L620 PolarHBondContact O-N 3.26Å; D617-L620 PolarHBondContact O-N 3.33Å; L620-R624 WeakPolarHBondContact O-CB 3.48Å; L620-R624 WeakPolarHBondContact O-CD 3.45Å; L620-R624 WeakPolarHBondContact O-CG 3.45Å; L620-R624 PolarHBondContact O-N 3.04Å
621R67.4Low68.6Low149 Ų149104.2 Ų104.256%0.56255%0.549SS*.Hα-helixtrans-64.8-45.1172.2-172.7-178.7-63.91024.4111.5D617 P618 E619 V623 R624 E625D617-R621 WeakPolarHBondContact O-CB 3.39Å; D617-R621 PolarHBondContact O-N 2.68Å; P618-R621 WeakPolarHBondContact O-CB 3.37Å; P618-R621 PolarHBondContact O-N 3.36Å; E619-R621 VanDerWaalsContact C-N 3.26Å; E619-R621 PolarHBondContact O-N 3.43Å; R621-V623 VanDerWaalsContact C-N 3.35Å; R621-V623 PolarHBondContact O-N 3.4Å; R621-R624 PolarHBondContact O-N 3.45Å; R621-E625 WeakPolarHBondContact O-CB 3.34Å; R621-E625 PolarHBondContact O-N 3.26Å
622L80.1Confident69Low106 Ų106103.5 Ų103.556%0.55554%0.536SS*.Hα-helixtrans-63-40.3178.7-154.298.6000111.9P618 E619 E625 L626P618-L622 WeakPolarHBondContact O-CB 3.3Å; P618-L622 PolarHBondContact O-N 2.81Å; E619-L622 WeakPolarHBondContact O-CB 3.45Å; E619-L622 PolarHBondContact O-N 3.16Å; E619-L622 VanDerWaalsContact O-N 3.13Å; L622-E625 PolarHBondContact O-N 3.43Å; L622-L626 HydrophobicContact CD2-CD1 4.37Å; L622-L626 WeakPolarHBondContact O-CB 3.27Å; L622-L626 PolarHBondContact O-N 3.09Å
623V81.7Confident69.2Low83 Ų8398.9 Ų98.950%0.50353%0.526SS..Hα-helixtrans-64-44.5173.8170.20000111E619 R621 E625 L626 V627E619-V623 WeakPolarHBondContact O-CG2 3.47Å; E619-V623 PolarHBondContact O-N 2.65Å; R621-V623 VanDerWaalsContact C-N 3.35Å; R621-V623 PolarHBondContact O-N 3.4Å; V623-E625 VanDerWaalsContact C-N 3.34Å; V623-E625 PolarHBondContact O-N 3.24Å; V623-L626 PolarHBondContact O-N 3.01Å; V623-V627 WeakPolarHBondContact O-CB 3.39Å; V623-V627 VanDerWaalsContact O-CG2 3.3Å; V623-V627 WeakPolarHBondContact O-CG2 3.41Å; V623-V627 PolarHBondContact O-N 3Å
624R83.3Confident69.2Low173 Ų17398.9 Ų98.965%0.65352%0.523SS*.Hα-helixtrans-62.5-39.4175.3-71.3165.4-172.9172.55.5112.1L620 R621 S628L620-R624 WeakPolarHBondContact O-CB 3.48Å; L620-R624 WeakPolarHBondContact O-CD 3.45Å; L620-R624 WeakPolarHBondContact O-CG 3.45Å; L620-R624 PolarHBondContact O-N 3.04Å; R621-R624 PolarHBondContact O-N 3.45Å; R624-S628 WeakPolarHBondContact O-CB 3.49Å; R624-S628 PolarHBondContact O-N 3.48Å
625E76.4Confident69.3Low114 Ų11496.5 Ų96.553%0.53352%0.52SS..Hα-helixtrans-67.6-43.9176.5-171.3171.2175.700111.9R621 L622 V623 S628 M629R621-E625 WeakPolarHBondContact O-CB 3.34Å; R621-E625 PolarHBondContact O-N 3.26Å; L622-E625 PolarHBondContact O-N 3.43Å; V623-E625 VanDerWaalsContact C-N 3.34Å; V623-E625 PolarHBondContact O-N 3.24Å; E625-S628 WeakPolarHBondContact O-CB 3.31Å; E625-S628 PolarHBondContact O-N 2.89Å; E625-M629 WeakPolarHBondContact O-CG 3.41Å; E625-M629 PolarHBondContact O-N 2.86Å
626L85Confident69.1Low87 Ų8798.7 Ų98.746%0.45554%0.537SS..Hα-helixtrans-59.4-46.8171.9-90.2160.9000112.2L622 V623 S628 M629 V630L622-L626 HydrophobicContact CD2-CD1 4.37Å; L622-L626 WeakPolarHBondContact O-CB 3.27Å; L622-L626 PolarHBondContact O-N 3.09Å; V623-L626 PolarHBondContact O-N 3.01Å; L626-S628 VanDerWaalsContact C-N 3.29Å; L626-S628 PolarHBondContact O-N 2.88Å; L626-M629 HydrophobicContact CD2-CE 4.19Å; L626-M629 PolarHBondContact O-N 3.42Å; L626-V630 WeakPolarHBondContact O-CB 3.48Å; L626-V630 VanDerWaalsContact O-CG2 3.28Å; L626-V630 WeakPolarHBondContact O-CG2 3.39Å; L626-V630 PolarHBondContact O-N 3.46Å
627V80.7Confident67.9Low86 Ų86102.9 Ų102.952%0.52156%0.556SS.*Hα-helixtrans-62.1-38.2176169.10000111V623 S631V623-V627 WeakPolarHBondContact O-CB 3.39Å; V623-V627 VanDerWaalsContact O-CG2 3.3Å; V623-V627 WeakPolarHBondContact O-CG2 3.41Å; V623-V627 PolarHBondContact O-N 3Å; V627-S631 VanDerWaalsContact O-CB 3.27Å; V627-S631 WeakPolarHBondContact O-CB 3.18Å; V627-S631 PolarHBondContact O-N 2.98Å; V627-S631 PolarHBondContact O-OG 2.6Å
628S73.8Confident66.9Low79 Ų79103.5 Ų103.555%0.55256%0.558SS**Hα-helixtrans-66.1-46.1175.7-167.30000112.3R624 E625 L626 S631 A632R624-S628 WeakPolarHBondContact O-CB 3.49Å; R624-S628 PolarHBondContact O-N 3.48Å; E625-S628 WeakPolarHBondContact O-CB 3.31Å; E625-S628 PolarHBondContact O-N 2.89Å; L626-S628 VanDerWaalsContact C-N 3.29Å; L626-S628 PolarHBondContact O-N 2.88Å; S628-S631 PolarHBondContact O-N 3.45Å; S628-A632 WeakPolarHBondContact O-CB 3.49Å; S628-A632 PolarHBondContact O-N 3.07Å
629M66.6Low65.2Low112 Ų112109.1 Ų109.155%0.55257%0.57SS**Hα-helixtrans-62.2-43.4174.4-72.7-158.5-61.500112.7E625 L626 S631 A632 A633E625-M629 WeakPolarHBondContact O-CG 3.41Å; E625-M629 PolarHBondContact O-N 2.86Å; L626-M629 HydrophobicContact CD2-CE 4.19Å; L626-M629 PolarHBondContact O-N 3.42Å; M629-S631 VanDerWaalsContact C-N 3.33Å; M629-A632 PolarHBondContact O-N 2.91Å; M629-A633 WeakPolarHBondContact O-CB 3.44Å; M629-A633 PolarHBondContact O-N 2.9Å
630V75.9Confident63.4Low94 Ų94109.5 Ų109.557%0.5758%0.58SS**Hα-helixtrans-65.9-38.3178.3169.30000110.8L626 A633 K634L626-V630 WeakPolarHBondContact O-CB 3.48Å; L626-V630 VanDerWaalsContact O-CG2 3.28Å; L626-V630 WeakPolarHBondContact O-CG2 3.39Å; L626-V630 PolarHBondContact O-N 3.46Å; V630-A633 PolarHBondContact O-N 2.87Å; V630-K634 WeakPolarHBondContact O-CB 3.43Å; V630-K634 PolarHBondContact O-N 2.79Å
631S67.4Low61.8Low65 Ų65113.3 Ų113.346%0.45561%0.609SS.*Hα-helixtrans-64.3-46.2174.6-59.10000111.4V627 S628 M629 A633 K634 V635V627-S631 VanDerWaalsContact O-CB 3.27Å; V627-S631 WeakPolarHBondContact O-CB 3.18Å; V627-S631 PolarHBondContact O-N 2.98Å; V627-S631 PolarHBondContact O-OG 2.6Å; S628-S631 PolarHBondContact O-N 3.45Å; M629-S631 VanDerWaalsContact C-N 3.33Å; S631-A633 VanDerWaalsContact C-N 3.34Å; S631-A633 PolarHBondContact O-N 3.26Å; S631-K634 PolarHBondContact O-N 3.35Å; S631-V635 WeakPolarHBondContact O-CG2 3.45Å; S631-V635 PolarHBondContact O-N 3.29Å; S631-V635 VanDerWaalsContact O-N 3.1Å
632A55.3Low60.4Low58 Ų58108.4 Ų108.448%0.47961%0.605SS.*Hα-helixtrans-61.2-41.3175.100000112.1S628 M629 V635 T636S628-A632 WeakPolarHBondContact O-CB 3.49Å; S628-A632 PolarHBondContact O-N 3.07Å; M629-A632 PolarHBondContact O-N 2.91Å; A632-V635 PolarHBondContact O-N 3.27Å; A632-T636 PolarHBondContact O-N 3.11Å
633A54.2Low58.2Low56 Ų56112.1 Ų112.146%0.46362%0.619SS.*Hα-helixtrans-63.9-43.4175.400000112.1M629 V630 S631 V635 T636 L637M629-A633 WeakPolarHBondContact O-CB 3.44Å; M629-A633 PolarHBondContact O-N 2.9Å; V630-A633 PolarHBondContact O-N 2.87Å; S631-A633 VanDerWaalsContact C-N 3.34Å; S631-A633 PolarHBondContact O-N 3.26Å; A633-V635 VanDerWaalsContact C-N 3.3Å; A633-V635 PolarHBondContact O-N 3.48Å; A633-T636 PolarHBondContact O-N 3.38Å; A633-T636 PolarHBondContact O-OG1 3.21Å; A633-L637 PolarHBondContact O-N 3.44Å
634K53.2Low55.9Low152 Ų152112.7 Ų112.766%0.66163%0.633SS**Hα-helixtrans-60.6-38.4177.8-164.3178.6-178.5-172.30111.8V630 S631 T636 L637V630-K634 WeakPolarHBondContact O-CB 3.43Å; V630-K634 PolarHBondContact O-N 2.79Å; S631-K634 PolarHBondContact O-N 3.35Å; K634-T636 VanDerWaalsContact C-N 3.33Å; K634-T636 PolarHBondContact O-N 3.44Å; K634-L637 PolarHBondContact O-N 2.71Å
635V51.4Low53.6Low118 Ų118111.5 Ų111.572%0.71565%0.645SS**Hα-helixtrans-64.8-32.7173.3172.50000112.4S631 A632 A633 L637S631-V635 WeakPolarHBondContact O-CG2 3.45Å; S631-V635 PolarHBondContact O-N 3.29Å; S631-V635 VanDerWaalsContact O-N 3.1Å; A632-V635 PolarHBondContact O-N 3.27Å; A633-V635 VanDerWaalsContact C-N 3.3Å; A633-V635 PolarHBondContact O-N 3.48Å; V635-L637 VanDerWaalsContact C-N 3.3Å; V635-L637 PolarHBondContact O-N 3.36Å
636T49.7Very low51.8Low122 Ų122111 Ų11175%0.74866%0.66SS**Hα-helixtrans-75.7-10.2179.258.70000115.5A632 A633 K634A632-T636 PolarHBondContact O-N 3.11Å; A633-T636 PolarHBondContact O-N 3.38Å; A633-T636 PolarHBondContact O-OG1 3.21Å; K634-T636 VanDerWaalsContact C-N 3.33Å; K634-T636 PolarHBondContact O-N 3.44Å
637L44.2Very low49.2Very low155 Ų155112.4 Ų112.481%0.81268%0.678SS**Hα-helixtrans-97.5-16.9-178.8-149.873.8000113.8A633 K634 V635A633-L637 PolarHBondContact O-N 3.44Å; K634-L637 PolarHBondContact O-N 2.71Å; V635-L637 VanDerWaalsContact C-N 3.3Å; V635-L637 PolarHBondContact O-N 3.36Å
638I45.4Very low46.9Very low129 Ų129119.7 Ų119.766%0.66270%0.696SS**  trans-107.579.2-174.6-49.7177.6000110.7
639R31.3Very low44.6Very low194 Ų194121.7 Ų121.773%0.73271%0.71SS**  trans-151.9106.6151.8-170.6163.3-173113.68.7112.1
640P35.5Very low42.9Very low103 Ų103119.6 Ų119.667%0.66972%0.717SS**  trans-67151.3166.829.2-33.7000110.8G642P640-G642 PolarHBondContact O-N 3.37Å; P640-G642 VanDerWaalsContact O-N 3.08Å
641P40.2Very low40.8Very low144 Ų144122.8 Ų122.894%0.93573%0.729SS**SBendtrans-8675.8-176.635.1-35.1000111.8
642G37.2Very low39Very low46 Ų46123.9 Ų123.947%0.47474%0.742SS.*  trans-139156.9175.500000112.6P640P640-G642 PolarHBondContact O-N 3.37Å; P640-G642 VanDerWaalsContact O-N 3.08Å
643E32.8Very low38.1Very low184 Ų184127.3 Ų127.386%0.8676%0.759SS**  trans29.2118.2163.8-76.9133.7-133.800121.1
644A35Very low36.7Very low96 Ų96133.3 Ų133.379%0.79378%0.778SS**  trans-154.399.1146.100000107.5
645T34.7Very low35.7Very low147 Ų147132 Ų13290%0.90278%0.782SS**  trans-78158179.932.90000112.2
646A37.8Very low34.8Very low104 Ų104135.2 Ų135.286%0.8679%0.79SS**  trans-90.7150.5-153.500000116.3
647S31.4Very low33.8Very low117 Ų117141.4 Ų141.482%0.81880%0.799SS**  trans-160.1145.414671.80000109
648R31.8Very low33.1Very low238 Ų238137.1 Ų137.190%0.89879%0.792SS**  cis-158.7146.3-11.4-156.4179.7-177.9-165.51.8110.4
649S26.5Very low32.7Very low122 Ų122137.7 Ų137.785%0.85380%0.804SS**  trans64.6149.9161.2-154.90000119.4
650G29.7Very low32.6Very low67 Ų67139.6 Ų139.669%0.69181%0.811SS**  trans159.733.7175.300000120.8
651I32.3Very low32.5Very low162 Ų162141.4 Ų141.483%0.83182%0.821SS**  trans43.8119.5154.9-57.9170.7000118.9
652A28.9Very low32Very low88 Ų88141 Ų14173%0.72781%0.811SS**  trans-80.7162.2165.600000112.3
653P35.9Very low31.7Very low130 Ų130146.4 Ų146.484%0.84483%0.826SS**  -137.3167.399.738.6-28.6000116.1
654E24.9Very low31.6Very low181 Ų181143.8 Ų143.885%0.84682%0.823SS**  trans-96.8137.7-174.7165.8-171.1174.700112.3
655V32.3Very low31.2Very low124 Ų124149.8 Ų149.875%0.75283%0.825SS**  trans-147.2116.2159.5-177.80000112.5
656Q32.9Very low31.2Very low187 Ų187151.2 Ų151.287%0.87482%0.821SS**  trans64.5156.5152.8-68.9174.2-10.300122.7
657R28.6Very low30.9Very low252 Ų252150.8 Ų150.895%0.95181%0.808SS**  trans-146.7131.5-169.4-167.9-177.3-159.7161.24.6108.2
658G30.3Very low30.9Very low65 Ų65153.3 Ų153.367%0.6781%0.81SS**  trans-124.1157.1-179.300000112.9
659P36.8Very low30.7Very low140 Ų140150.2 Ų150.291%0.90981%0.806SS**  trans-83.1167.3-161.632.4-36.7000116.1
660R30.2Very low31Very low234 Ų234155.6 Ų155.688%0.88381%0.807SS**  trans-76.4152.8179.3-64170.5168.5166.3-6.3112.7
661T33.1Very low31Very low142 Ų142158.7 Ų158.787%0.87181%0.813SS**  trans-127.3151.8148.252.40000109.6
662N29.1Very low30.8Very low134 Ų134161.6 Ų161.672%0.71782%0.815SS**  trans-94.7147.7-178.5-67.9-50.8000111.1
663M31.1Very low31.2Very low161 Ų161166 Ų16679%0.79382%0.817SS**  158.2157.1114.3-84.1-54.2176.900115.3
664T29.7Very low31.4Very low129 Ų129166 Ų16679%0.79182%0.818SS**  trans53.996.1154.8470000119.9
665R28.1Very low31.5Very low222 Ų222160.9 Ų160.984%0.83881%0.813SS**  trans-66130.4152.1176.8-165-149-10710.6110.4
666Q33.6Very low31.4Very low177 Ų177162.1 Ų162.183%0.82782%0.821SS**  trans-133.5147.4158.3-85.9-64.82.800111
667V32Very low31.2Very low95 Ų95156.4 Ų156.458%0.57681%0.812SS**  trans-128.3136.7-178.9174.60000107.7
668I31.6Very low31.2Very low170 Ų170152.8 Ų152.887%0.87281%0.806SS**  trans-150.1142.3156.4-99.5135.5000109.2
669Q28.3Very low31.1Very low173 Ų173155.9 Ų155.981%0.80880%0.803SS**  trans-118.6144.9177179.7169.8-32.200109.1
670R31.4Very low30.8Very low234 Ų234156.4 Ų156.488%0.88380%0.797SS**  trans-28.7148.1177.5-46.7169.1-177.9175-1.5116.1
671V30.6Very low30.6Very low132 Ų132149.3 Ų149.380%0.879%0.788SS**  trans-158.3141.1138.6122.10000113.5
672Y28.4Very low30.8Very low223 Ų223147.8 Ų147.888%0.87578%0.78SS**  trans69.1157160.6-91.2-113.2000125.2
673K37.5Very low30.8Very low180 Ų180147.8 Ų147.878%0.78379%0.785SS**  trans-117.2149.7173.3-78.6-173.5175.7-175.70108.6
674P38.8Very low30.6Very low132 Ų132145.4 Ų145.486%0.85779%0.785SS**  -95.2-166.286-24.739.6000115.7
675G27.8Very low31.3Very low72 Ų72144.5 Ų144.574%0.74278%0.781SS**  cis-170.5-153.46.900000116.4
676T29.7Very low31.3Very low151 Ų151138.6 Ų138.693%0.92678%0.78SS**  trans-119155.5-165.9-530000111.6
677G29.1Very low31Very low66 Ų66134 Ų13468%0.6878%0.78SS**  trans109.382.5141.500000121.1
678Q28.2Very low30.9Very low177 Ų177133.1 Ų133.183%0.82779%0.79SS**  trans58.4169.6130.5-132.8179.3-54.900122.9
679E28.6Very low31.1Very low130 Ų130132.7 Ų132.761%0.60779%0.789SS**  trans67.9101.9166.1-56.1-58.7101.200120.8
680I30.3Very low31.4Very low151 Ų151129.7 Ų129.777%0.77478%0.778SS**  44133.3119.3-56.1174.4000120.1
681A26.1Very low32Very low85 Ų85124.7 Ų124.770%0.70276%0.763SS**  trans-77.5169.2177.800000113
682P37.1Very low32.4Very low109 Ų109128.2 Ų128.271%0.70876%0.762SS**  -153.9-171.461.842.6-20.6000117.6
683T28.6Very low33Very low134 Ų134123.8 Ų123.882%0.82275%0.753SS**  trans68.1121.115643.60000121.6
684S26.5Very low32.9Very low111 Ų111123.5 Ų123.578%0.77675%0.752SS**  trans-74177.1152.6-139.20000110
685P44.3Very low32.6Very low110 Ų110128.3 Ų128.371%0.71475%0.753SS**  cis-140.9179.16.443.8-25.7000117.2
686A28.7Very low32.9Very low99 Ų99131.9 Ų131.982%0.81875%0.754SS**  trans56.8129.6142.100000122.3
687G26.8Very low33Very low80 Ų80129.7 Ų129.783%0.82575%0.751SS**  trans109.2149.9132.400000117.2
688G30.4Very low33.1Very low77 Ų77130.2 Ų130.279%0.79475%0.749SS**  trans93100.2152.100000117.2
689L36.7Very low33.2Very low160 Ų160130.3 Ų130.384%0.83875%0.752SS**  trans-28141.5139.5-56.8156.8000112.8
690D33.5Very low33.1Very low110 Ų110127.9 Ų127.959%0.58876%0.761SS**  175.4151.495.6-104.7-39000118
691K43.6Very low33.1Very low130 Ų130124.1 Ų124.157%0.56576%0.76SS**  trans53.1119.3138.2-66.8157.3-166.6148.80123
692R40.8Very low33.5Very low205 Ų205129.9 Ų129.977%0.77477%0.769SS**  73.1168.5123.8-61.9171.9-167170.51.5117.4
693L39.7Very low34.4Very low131 Ų131129.5 Ų129.569%0.68677%0.767SS**  cis-148.1128.51.4-120.8135000110.6
694F36Very low34.6Very low173 Ų173130.7 Ų130.776%0.75977%0.768SS**  trans50148.6135.6-74.7-121.1000125.6
695R32.4Very low34.8Very low233 Ų233128.7 Ų128.788%0.87977%0.765SS**  trans119.8105.6135.4-162.5178.5-62-154.40.5113.5
696L32.8Very low34Very low148 Ų148131.6 Ų131.678%0.77578%0.775SS**  cis83.6114.647.8-71174.6000116.2
697A33.6Very low34.2Very low104 Ų104134.8 Ų134.886%0.8678%0.777SS**  trans69.6160.915600000117.7
698A30Very low34.2Very low78 Ų78137.2 Ų137.265%0.64578%0.782SS**  cis-158164.45.100000113.2
699M29.8Very low34.1Very low179 Ų179138 Ų13888%0.88278%0.78SS**  trans61.9157.5162.4-36.5-51.7-86.600117.6
700G27.5Very low33.7Very low78 Ų78136.9 Ų136.980%0.80478%0.78SS**  cis98.8126.33.600000113.1
701G30.6Very low33.5Very low73 Ų73139.8 Ų139.875%0.75379%0.79SS**  cis166.3164.1-2.300000109.1
702K33.7Very low32.9Very low206 Ų206141.7 Ų141.790%0.89680%0.801SS**  trans178.3159.9172.1-109.2164.9-175.9-177.20111.8
703P57.7Low32.4Very low101 Ų101139.1 Ų139.166%0.65680%0.801SS**  -135.5-162.1-58.137.5-17.2000112.6
704N31.8Very low31.9Very low159 Ų159138.4 Ų138.485%0.8580%0.797SS**  trans81.9130.3174.8-49.9-14000115.6
705G30.7Very low31.7Very low69 Ų69140.1 Ų140.171%0.71180%0.799SS**  cis-173.9135.5-8.900000115.2
706N27Very low31.8Very low171 Ų171136.8 Ų136.891%0.91479%0.791SS**  trans65.4155.5161.3-63.9-1.7000121.3
707L32.8Very low31.6Very low166 Ų166135.7 Ų135.787%0.86979%0.786SS**  trans-131.3157.4-171.8-63.9162.7000108.9
708S27.1Very low31.4Very low131 Ų131136 Ų13692%0.91678%0.781SS**  trans178.7159.8131.8-82.10000112
709A28.8Very low31.7Very low93 Ų93137.9 Ų137.977%0.76979%0.785SS**  trans-157.2127.6170.400000110.7
710T29.2Very low31.6Very low136 Ų136136.2 Ų136.283%0.83478%0.779SS**  trans-177153.2152.423.50000112.2
711Q28.7Very low31.8Very low172 Ų172136.6 Ų136.680%0.80477%0.77SS**  trans61.598.4155.4-71.8-178.9-42.900121.7
712E30.3Very low31.9Very low170 Ų170139.1 Ų139.179%0.79477%0.766SS**  31.8119.1103.9-171.1177.9-139.400119.7
713I30.7Very low31.8Very low150 Ų150137.5 Ų137.577%0.76976%0.761SS**  trans176.9139.8132.3-99165.4000114.7
714L28.5Very low30.3Very low116 Ų116137.9 Ų137.961%0.60777%0.767SS**  trans52.4119.6158.2-91.451.3000124.8
715R31.5Very low30.2Very low209 Ų209136.2 Ų136.279%0.78976%0.762SS**  62.9126.8126.3-67.3176.1-160.3148.56.4123.8
716K34.4Very low30.1Very low163 Ų163138.3 Ų138.371%0.70976%0.761SS**  92.9129.6129.1-94-171.3145-72.60121.7
717D30.3Very low30.1Very low126 Ų126139.7 Ų139.767%0.67476%0.759SS**  trans76.2130.4145.7-53.4-20.7000121.7
718S29.2Very low29.9Very low109 Ų109137.8 Ų137.876%0.76275%0.754SS**  trans95.499.4150.7-136.90000121.6
719V35.2Very low29.9Very low119 Ų119135.4 Ų135.472%0.72174%0.742SS**  trans75.4115.5131.1174.80000120.6
720D29.2Very low29.8Very low143 Ų143137.2 Ų137.277%0.76574%0.738SS**  trans50.5150.4149.7-76.9-48000121.1
721S30.3Very low29.9Very low87 Ų87139 Ų13961%0.60874%0.737SS**  cis153.5142.3-9.2-98.60000104.2
722N32.4Very low30Very low125 Ų125134.9 Ų134.967%0.66873%0.732SS**  cis-157.9-178.4-6.5-140.2-67.6000110.7
723H32.8Very low30.7Very low172 Ų172132.2 Ų132.280%0.79673%0.73SS**  trans73.2139.1177.9-47.9-68000115.5
724S26.3Very low30.7Very low110 Ų110131.9 Ų131.977%0.76974%0.735SS**  cis-148.9-178.522.2-168.40000113.6
725V28.3Very low30.7Very low123 Ų123130.2 Ų130.275%0.74575%0.746SS**  trans95.397.7160.6-168.60000119.2
726V30.2Very low30.6Very low114 Ų114126 Ų12669%0.69175%0.749SS**  trans80.9116.9139.2174.40000122.5V728V726-V728 HydrophobicContact CG1-CG2 4.03Å
727K26.1Very low31.6Very low200 Ų200123.3 Ų123.387%0.8775%0.748SS**  -162.2142.3122.8-89.5141.9-175.7176.70106.2
728V28.8Very low31.9Very low126 Ų126127 Ų12776%0.76476%0.758SS**  cis84.3118.827.4-177.10000114.5V726V726-V728 HydrophobicContact CG1-CG2 4.03Å
729A26.2Very low32.1Very low81 Ų81124.9 Ų124.967%0.66975%0.753SS**  trans98.8149.6162.400000119.9
730N27.9Very low32Very low130 Ų130124.3 Ų124.370%0.69576%0.761SS**  trans74.7147.4159-58.5-6.7000118.5
731H30.1Very low32.1Very low173 Ų173121.6 Ų121.680%0.80176%0.758SS**  cis-157.3-178.3-16-107.2-28.2000110.2
732A30.9Very low32Very low86 Ų86124 Ų12471%0.71177%0.769SS**  trans-122.2166178.100000112.3
733P44.3Very low31.9Very low115 Ų115124.1 Ų124.175%0.74777%0.774SS**  trans-117.6111.2151.928.7-13.5000110.9
734T31.9Very low31.8Very low142 Ų142120.2 Ų120.287%0.87177%0.771SS**  75.111386.357.80000116.5
735G28.6Very low32Very low82 Ų82119.5 Ų119.585%0.84577%0.772SS**  trans-166.4134.2165.900000110.7
736S28.3Very low32.2Very low120 Ų120121.7 Ų121.784%0.83978%0.778SS**  trans-161.8164.8-169.4-156.70000109.1
737P55.2Low32.3Very low107 Ų107125.2 Ų125.270%0.69578%0.779SS**  cis-120.3-149.76.637-15.6000111.8
738K38.4Very low33.3Very low203 Ų203121.1 Ų121.188%0.88377%0.773SS**  cis-161.9162.35.1-142161.4-170.4172.70107.1
739G31.9Very low33.6Very low64 Ų64122.1 Ų122.166%0.6677%0.769SS**  cis149.8140.5-8.600000112.1
740A33.3Very low33.9Very low108 Ų108121.1 Ų121.189%0.89377%0.767SS**  trans72.9149177.600000118.3
741A32.1Very low34.2Very low85 Ų85120.4 Ų120.470%0.70277%0.772SS**  cis-170.9172.4-2200000111.6
742V28.6Very low34.5Very low139 Ų139119 Ų11984%0.84277%0.77SS**  trans68.7159157.7162.20000117.7
743V29.4Very low34.7Very low127 Ų127121.3 Ų121.377%0.7777%0.768SS**  -170150.8-56.3127.80000109.2
744A30.5Very low34.1Very low89 Ų89122.2 Ų122.274%0.73677%0.767SS**  trans60.4109.6159.100000124.9
745A31.3Very low34.5Very low95 Ų95120.4 Ų120.479%0.78576%0.76SS**  77.9164.611100000125.7
746I31.6Very low34.4Very low169 Ų169125.4 Ų125.487%0.86776%0.759SS**  trans108.7146.9155.7-56.1-174.1000120.1
747R31.8Very low34.5Very low188 Ų188128.4 Ų128.471%0.70976%0.757SS**  trans-80.7175.6-171.2-139.2-169.5177.9174.8-2.3113.2
748P48.9Very low33.3Very low114 Ų114126.4 Ų126.474%0.7476%0.756SS**  -143.5153.868.233.7-11.3000116
749Q35.2Very low32.9Very low148 Ų148126 Ų12669%0.69276%0.758SS**  57.6140.4106.6-52.4-75.729.700117.7
750G31.3Very low32.8Very low60 Ų60126.1 Ų126.162%0.61976%0.758SS**  cis169.8-172.7-3.600000114.7
751S33.7Very low32.6Very low115 Ų115128.8 Ų128.880%0.80476%0.758SS**  trans75160.6160.1-57.30000121.7
752L36.2Very low32.5Very low144 Ų144128.2 Ų128.275%0.75476%0.759SS**  cis-162.5139.9-31.5-97.5-179.5000112.5
753I37.1Very low33.2Very low133 Ų133127.1 Ų127.168%0.68276%0.755SS**  trans14.2150.1158.52572.9000130.3
754N31.2Very low33.2Very low135 Ų135126.4 Ų126.472%0.72275%0.752SS**  trans60.2140.6145.6-71.1-6.5000122.4
755S39Very low33.1Very low104 Ų104128.4 Ų128.473%0.72776%0.755SS**  cis83.9111.221.6-62.20000118.3
756F27.8Very low33Very low186 Ų186128.2 Ų128.282%0.81675%0.753SS**  trans-160.2130.3154.4-120.8-94000112.3
757F30.6Very low33Very low183 Ų183130.5 Ų130.580%0.80376%0.757SS**  trans7.9154.9160-62.2-108.8000123.2
758G29.3Very low32.7Very low65 Ų65124.9 Ų124.967%0.6776%0.757SS**  cis153147.3-8.500000116.2
759Q29.4Very low31.8Very low196 Ų196124.6 Ų124.692%0.91677%0.765SS**  trans60.7160.6166-60.2178.7-5900118.2
760G30.1Very low31.6Very low65 Ų65121.4 Ų121.467%0.6776%0.764SS**  cis-159.1-176.9-5.800000108.4
761N29.1Very low31.6Very low165 Ų165123.8 Ų123.888%0.88277%0.77SS**  cis-149.8176.39.5-75.3-41.3000110.4
762G31.2Very low31.5Very low72 Ų72126 Ų12674%0.74277%0.768SS**  trans-90.2-149.3176.400000114.8
763P41.9Very low31.2Very low116 Ų116126.6 Ų126.675%0.75377%0.772SS**  cis-146.3-162.15.443-21.4000116.8
764T29.9Very low30.8Very low113 Ų113127.4 Ų127.469%0.69378%0.776SS**  trans79.3128.1151.143.90000124.9
765T28.8Very low30.8Very low131 Ų131132.3 Ų132.380%0.80479%0.785SS**  trans58.1137.7145.8530000121.7
766A30Very low30.5Very low91 Ų91131.7 Ų131.775%0.75279%0.786SS**  cis106.2142.48.300000117.8
767K30Very low30.9Very low217 Ų217131.2 Ų131.294%0.94379%0.788SS**  trans75.4147.3-174.5-57.7179.3178.4177.60116.1
768G27Very low30.9Very low70 Ų70128.4 Ų128.472%0.72279%0.791SS**  cis156.5149.2-16.100000116.3
769A28.2Very low31.5Very low108 Ų108134.8 Ų134.889%0.89380%0.795SS**  trans65.6167.5161.100000119.3
770A32.2Very low32.1Very low81 Ų81137 Ų13767%0.66980%0.795SS**  cis-174.9163.3-41.300000110.1
771S31Very low32.2Very low109 Ų109143.7 Ų143.776%0.76280%0.802SS**  trans64.7161.3158.275.10000117.6
772E31.1Very low32.3Very low161 Ų161141.3 Ų141.375%0.75280%0.798SS**  cis-163.8146.5-21.8-115176.5-175.500109
773N30.9Very low32.3Very low157 Ų157144 Ų14484%0.8480%0.799SS**  -178.7167.9123.6-108.2-80.7000114.7
774I29.3Very low31.9Very low150 Ų150144.7 Ų144.777%0.76981%0.806SS**  trans-128.2149.9-167.3-65.2158.2000109.6
775R30.3Very low31.9Very low238 Ų238142.6 Ų142.690%0.89881%0.807SS**  trans179.9136.7133.4178.7156.4-80.6-126.2-0.8115.9
776A31.8Very low31.9Very low91 Ų91141.9 Ų141.975%0.75281%0.807SS**  trans65.9128.8153.700000121.4
777M36.2Very low31.8Very low176 Ų176142 Ų14287%0.86780%0.803SS**  trans-90.7160.7152.6-59.9-170.3-64.400110.2
778S31.6Very low32Very low124 Ų124139.1 Ų139.187%0.86780%0.797SS**  trans-140.3138.1147.1-170.90000110.3
779R42.1Very low32.7Very low199 Ų199140.9 Ų140.975%0.75180%0.796SS**  trans-106.2137.5171.5-69.5-178.2174.5-157.90.3108.9
780R42.3Very low33.2Very low244 Ų244142 Ų14292%0.92180%0.795SS**  trans-164.1158.2141-106.4147.9-162.9-89.40.6111.8
781Y31.4Very low33.1Very low204 Ų204145.6 Ų145.680%0.880%0.803SS**  trans-101147.9-179.9-64.2-109.2000109.8
782S31.1Very low33.1Very low115 Ų115144.5 Ų144.580%0.80480%0.8SS**  trans-176.6133.9141-90.20000106.4
783V32Very low33Very low128 Ų128145.6 Ų145.678%0.77681%0.805SS**  cis74.285.437.4-170.50000113
784C32.6Very low32.9Very low131 Ų131146.2 Ų146.289%0.88581%0.808SS**  trans-131.8142.8146.5-62.40000106.4
785G29.6Very low32.9Very low69 Ų69143.9 Ų143.971%0.71181%0.811SS**  cis117.2102.6100000111.4
786S29.2Very low32.9Very low116 Ų116137.6 Ų137.681%0.81180%0.804SS**  trans58.6128.5179.3-74.20000116.6
787S28.5Very low32.9Very low95 Ų95142.5 Ų142.566%0.66481%0.811SS**  cis73.2114.945.482.90000114.1
788N32.8Very low32.5Very low155 Ų155138.1 Ų138.183%0.82981%0.811SS**  -168.7163.3129.8-99.64000112.5
789P42.8Very low32.4Very low107 Ų107137.9 Ų137.970%0.69581%0.81SS**  trans-92.7172.9-15436.4-37.4000115.2
790P38.2Very low31.8Very low133 Ų133133.1 Ų133.186%0.86481%0.812SS**  trans-70158.5178.130-37.7000113.5
791N29.5Very low31.2Very low156 Ų156129.7 Ų129.783%0.83481%0.812SS**  trans-126.5132.6178.1-176.713.9000111.7
792A31.5Very low31.1Very low86 Ų86124 Ų12471%0.71182%0.816SS**  trans-155.8140.8163.700000106.4
793Q29.4Very low31Very low184 Ų184123.4 Ų123.486%0.8681%0.812SS**  cis-137.2-175.214.7-66.3178.2-54.700112.5
794N29.6Very low30.9Very low169 Ų169123 Ų12390%0.90481%0.81SS**  trans-59.8137.9177.2-61-41.1000114.2
795A28.7Very low30.8Very low101 Ų101124.3 Ų124.384%0.83581%0.806SS**  trans-156122.3135.100000111.6
796S29.5Very low30.8Very low106 Ų106128.1 Ų128.174%0.74181%0.81SS**  trans-79.916315654.90000109
797Q31.8Very low31Very low195 Ų195127.8 Ų127.891%0.91181%0.808SS**  cis-165.3158.78.4-135.8169.513.200107
798G28.3Very low31.1Very low83 Ų83131.6 Ų131.686%0.85682%0.821SS**  trans149.2138.3165.500000114.7
799S29.1Very low31.3Very low120 Ų120128.6 Ų128.684%0.83982%0.818SS**  trans-123.2133.7177.3178.70000110
800A30.3Very low30.8Very low98 Ų98129.3 Ų129.381%0.8183%0.825SS**  trans-148.4141.3166.500000108.8
801N29.4Very low30.5Very low172 Ų172127.7 Ų127.792%0.9282%0.823SS**  trans-84.2146.5-177.5-78.6-38.7000112.1
802G28.2Very low30.7Very low84 Ų84128.7 Ų128.787%0.86683%0.825SS**  trans-14473176.400000111.5
803S30.1Very low30.9Very low104 Ų104133.6 Ų133.673%0.72783%0.833SS**  trans-79.3157.8172.4-148.10000109.4
804T29.6Very low31.4Very low119 Ų119130 Ų13073%0.7383%0.834SS**  cis-164.9152.82.6-17.10000107.9
805I31.8Very low31.8Very low158 Ų158127.1 Ų127.181%0.8183%0.828SS**SBendtrans-148.2128.6133.7-70.8-159.9000109.7
806N28.6Very low32.1Very low150 Ų150130.2 Ų130.280%0.80283%0.827SS**  trans34.9102.4162.5-64-7.2000121.1
807S33.9Very low32.6Very low108 Ų108133.5 Ų133.576%0.75584%0.835SS**  trans-78.5155.5143.6-47.50000111.2
808N29.8Very low32.8Very low175 Ų175133.7 Ų133.794%0.93683%0.833SS**  trans-155.1146.4131.5-112.6-38.1000110.2
809A37Very low33Very low93 Ų93141.1 Ų141.177%0.76984%0.835SS**  trans-150.5168.8-155.900000113.8
810S31.6Very low33.2Very low121 Ų121145.9 Ų145.985%0.84684%0.835SS**  trans-144.7104.6153.764.40000110.6
811A33.9Very low33.3Very low99 Ų99150.8 Ų150.882%0.81884%0.838SS**  trans-103.2119.817000000109.6
812M33.3Very low33.5Very low177 Ų177149.5 Ų149.587%0.87283%0.83SS**  trans-140.8165169.5-76.2-164.6174.400110.3A814M812-A814 PolarHBondContact O-N 3.39Å
813E35.5Very low33.6Very low189 Ų189150.2 Ų150.288%0.88383%0.828SS**SBendtrans72.27.3168.3-50.1-152131.800119.6S815E813-S815 PolarHBondContact O-N 2.92Å
814A39.3Very low33.6Very low108 Ų108150.1 Ų150.189%0.89383%0.833SS**SBendtrans-81.31.3176.200000116.1M812M812-A814 PolarHBondContact O-N 3.39Å
815S37.2Very low33.7Very low110 Ų110147.4 Ų147.477%0.76983%0.829SS**SBendtrans-136.915.3-159.757.70000117.6E813E813-S815 PolarHBondContact O-N 2.92Å
816M35.5Very low33.6Very low165 Ų165149.3 Ų149.381%0.81383%0.834SS**  trans-116.97.1-166.5-83.9-81.5-82.500117.9
817L39.7Very low33.7Very low175 Ų175145.7 Ų145.792%0.91683%0.832SS**  trans-125.276.6175.1-86.193.7000114.3
818K36.5Very low33.6Very low199 Ų199148.9 Ų148.987%0.86584%0.837SS**  trans-155.480.4159.3-162.2165.1-175.2172.60114.2
819R33.4Very low33.7Very low240 Ų240146.4 Ų146.491%0.90683%0.828SS**  trans-168151.3157.7-121.6175.3-73.6-1660.5113.2
820R32.7Very low34.1Very low220 Ų220147.1 Ų147.183%0.8383%0.825SS**  trans70.6130.4-178-49.9174.7-176.8-174.5-0.2112.6
821F33.1Very low34.5Very low201 Ų201147.2 Ų147.288%0.88282%0.822SS**  cis-112.1155.80.4-57.7-102.7000108.6
822I33.6Very low34.5Very low145 Ų145148.7 Ų148.774%0.74482%0.821SS**  cis89.6102.631.4-60.3-179.1000115.2
823A30.1Very low34.4Very low99 Ų99149.6 Ų149.682%0.81882%0.824SS**  trans65.8156.6151.900000119.7
824A29.4Very low34.5Very low102 Ų102152 Ų15284%0.84382%0.824SS**  cis-153.9171.3-2.500000112.8
825G31.2Very low34.8Very low61 Ų61151.4 Ų151.463%0.62981%0.811SS**  trans110.4111.9173.900000112.9
826H30.3Very low34.5Very low199 Ų199158 Ų15892%0.92182%0.82SS**  57.9120.951-49.1-34.2000112.1
827G30.5Very low34.2Very low74 Ų74160.5 Ų160.576%0.76382%0.822SS**  cis-175.5-173.6-0.500000109.1
828M31.9Very low33.8Very low175 Ų175158.3 Ų158.386%0.86282%0.821SS**  cis-156.4166.7-5.3-101.9-55.5-71.500109.4
829V31.8Very low33.9Very low123 Ų123153.4 Ų153.475%0.74582%0.817SS**  trans-147.4148179.5176.60000109.4
830P45.1Very low33.8Very low108 Ų108148.8 Ų148.870%0.70182%0.816SS**  cis-111.1-150-12.931.8-9.8000110.5
831P39.7Very low33.6Very low122 Ų122141.6 Ų141.679%0.79281%0.81SS**  -136.6161.671.138.4-23.3000115.5
832T34.7Very low33.5Very low130 Ų130136.7 Ų136.780%0.79881%0.806SS**  trans-82.8140.6172.349.80000112.4
833Q32.2Very low33.3Very low197 Ų197134.9 Ų134.992%0.92181%0.806SS**  trans-132.8155.1154.3-72.7-163.6-3.700111.4
834R36.2Very low33.4Very low238 Ų238138.6 Ų138.690%0.89881%0.807SS**  trans-131.2-179.4-172.8-135.8-164.2173.3-168.8-0.4109.8
835P45.2Very low33.4Very low96 Ų96140.7 Ų140.762%0.62380%0.801SS**  -88.1166.9-126.740.4-30000114.7
836R32.8Very low33.3Very low250 Ų250143.7 Ų143.794%0.94381%0.807SS**  trans-132.8141.2153.7-74.4-168.2173.4-170.1-1.8111
837Y29.2Very low33.4Very low217 Ų217140.1 Ų140.185%0.85180%0.8SS**  trans-97.5149165.4-69.2-105.7000108.9
838S29.4Very low33.4Very low128 Ų128141.4 Ų141.490%0.89580%0.803SS**  168.2167.2120.362.30000110.4
839A39.1Very low33.2Very low96 Ų96138.2 Ų138.279%0.79380%0.798SS**  trans-121.3151.8-170.600000113.1
840V31.1Very low33.4Very low144 Ų144141.2 Ų141.287%0.87380%0.804SS**  trans-147.5141.8164.6-174.70000106.5
841G29.4Very low32.9Very low69 Ų69139.1 Ų139.171%0.71180%0.802SS**  cis136.486.5-6.900000113.7
842A30.6Very low32.6Very low97 Ų97138.9 Ų138.980%0.80280%0.803SS**  trans-176.1165163.700000110
843S28.9Very low32.5Very low107 Ų107138 Ų13875%0.74880%0.802SS**  cis163.5148.4-42.8-89.70000108.9
844Q32.6Very low32.8Very low177 Ų177135.6 Ų135.683%0.82780%0.795SS**  trans70.8153.5170.7-56.3-1714300117.1
845M30.3Very low33Very low147 Ų147131.6 Ų131.672%0.72479%0.79SS**  cis-164.2159.5-18.2-118.3-167.6157.400113
846T27.3Very low32.8Very low124 Ų124132.6 Ų132.676%0.76180%0.795SS**  trans62.3158.2153.955.10000118.9
847T32.7Very low33.3Very low124 Ų124132.2 Ų132.276%0.76179%0.793SS**  cis-134.5141.512.9500000111.8
848A32.1Very low33.9Very low101 Ų101130.6 Ų130.684%0.83579%0.791SS**  55.8146.4100.300000116.9
849S27.4Very low34.3Very low107 Ų107129.1 Ų129.175%0.74878%0.78SS**  cis-161.3130.47.3170.50000108.1
850Q36.2Very low34.2Very low186 Ų186130.7 Ų130.787%0.86978%0.78SS**  78.4134.271.8-90-7510.100117.5
851G33.6Very low34.3Very low64 Ų64127.3 Ų127.366%0.6677%0.774SS**  trans102.9146.1172.800000117.6
852S33.3Very low34.5Very low118 Ų118130.4 Ų130.483%0.82578%0.783SS**  cis-174.1162.6-756.50000114.1
853S32.9Very low35.2Very low112 Ų112131.7 Ų131.778%0.78378%0.781SS**  trans79.2165.8154.9-140.40000119.9
854L38.7Very low36.3Very low146 Ų146132.7 Ų132.776%0.76479%0.785SS**  -166.5152.6-72.4-103.9167.3000112
855L39.4Very low36.6Very low153 Ų153127.6 Ų127.680%0.80177%0.773SS**  trans66.4175.5162.3-60.8167000119.8
856V41.4Very low36.8Very low118 Ų118131 Ų13172%0.71578%0.779SS**  -173.1156.1-78.2140.50000113.3
857R43.2Very low36.9Very low241 Ų241132.7 Ų132.791%0.90978%0.779SS**  trans85.1146.5178.8-67.8159.3-178.6-158.8-1.8115.4
858K42.3Very low36.9Very low183 Ų183135 Ų13580%0.79678%0.778SS**  cis-147174.311.4-147.8-168.8158.8-169.50107.5
859S38.2Very low36.7Very low97 Ų97137.9 Ų137.968%0.67877%0.774SS**  cis-150.1-143.916-50.20000112.9
860V36.3Very low36.9Very low130 Ų130141 Ų14179%0.78878%0.781SS**  -147.8138.6-102.7155.50000112.3
861G33.5Very low36.5Very low73 Ų73137 Ų13775%0.75377%0.773SS**  trans86.4148156.600000118.5
862C33.5Very low37.2Very low133 Ų133138.8 Ų138.890%0.89977%0.773SS**  cis-156.2159-17.8-1520000114
863V44.9Very low37Very low124 Ų124140.9 Ų140.975%0.75278%0.775SS**  trans-76.3160.2-174.6170.50000111.8
864P53.6Low36.8Very low128 Ų128139.5 Ų139.583%0.83178%0.779SS**  cis-143.3-175.843.924.73.4000118.6
865A38.5Very low36.3Very low70 Ų70136.4 Ų136.458%0.57978%0.782SS**  cis-175.7171.4-34.300000113.6
866Y32.9Very low36Very low219 Ų219134 Ų13486%0.85978%0.784SS**  trans84.6106.3155.3-65.3-66000125.8
867Q31.3Very low35.4Very low160 Ų160133.1 Ų133.175%0.74878%0.783SS**  65.6137.8119.6-118.5-166.226.800126.5
868K31.8Very low34.8Very low171 Ų171128.7 Ų128.774%0.74378%0.777SS**  trans94.6162.3149.8-73.5-165.1-177-1760121.5
869Q28.3Very low34.2Very low162 Ų162126.2 Ų126.276%0.75777%0.771SS**  trans-89.5154.5-155.6-53.2144.3-89.600113.7
870I31.8Very low33.8Very low173 Ų173129.4 Ų129.489%0.88778%0.776SS**  175.7162.9118.2-89.9158.5000110.3
871S27.9Very low33.5Very low102 Ų102132.8 Ų132.871%0.71378%0.78SS**  trans-106.2-176.6-175.6-1350000110.5
872P47.3Very low33.7Very low101 Ų101135.7 Ų135.766%0.65678%0.783SS**  cis-141176.73.341.4-21.9000118
873N28.8Very low34Very low163 Ų163134.3 Ų134.387%0.87277%0.772SS**  trans55115.7145.2-682.7000123
874G29.4Very low33.1Very low83 Ų83136.9 Ų136.986%0.85678%0.776SS**  trans175.1121.1147.900000111
875G29.1Very low32.4Very low81 Ų81139 Ų13984%0.83578%0.779SS**  cis-160.2168.4-8.900000109.4
876A31.7Very low32.1Very low102 Ų102139.6 Ų139.684%0.84378%0.784SS**  trans-138.4144.3-170.500000115.2
877S30.2Very low31.9Very low99 Ų99134.3 Ų134.369%0.69278%0.779SS**  trans74.7104.4144-171.40000121
878L30.1Very low31.9Very low149 Ų149132.7 Ų132.778%0.7878%0.78SS**  trans82.2149.1133.3-101.465.5000123.4
879L29.5Very low31.8Very low130 Ų130133.6 Ų133.668%0.68179%0.787SS**  trans78.4112.3146.9-74.3166.7000121.9
880Q29.7Very low31.8Very low165 Ų165129.3 Ų129.377%0.77179%0.785SS**  34.6110.7126.3-67-179.3-16.600119.2
881K29.3Very low31.8Very low200 Ų200126.4 Ų126.487%0.8778%0.78SS**  -176.9141.3109.9-99.8158.6-176.2175.20113.1
882T37.9Very low32Very low134 Ų134126.1 Ų126.182%0.82278%0.784SS**  trans-69.9144.8151.349.50000109.3
883P39.1Very low31.1Very low104 Ų104129.5 Ų129.568%0.67579%0.789SS**  -1521619940.1-23.4000117.2
884Q27.7Very low31.2Very low179 Ų179128.1 Ų128.184%0.83678%0.782SS**  trans30.9111.2139.6-63.1170.1-34.100121.4
885I37.9Very low31.3Very low173 Ų173132.1 Ų132.189%0.88778%0.783SS**  16119.6128.5-47.9169.4000117.8
886A32.4Very low31.4Very low82 Ų82136.5 Ų136.568%0.67878%0.78SS**  trans-172.8122.4137.700000115.7
887S28.2Very low31.3Very low108 Ų108136.5 Ų136.576%0.75578%0.78SS**  trans66.7160.7136.171.30000123.7
888V31.2Very low31.7Very low126 Ų126139.2 Ų139.276%0.76478%0.781SS**  trans69.5115.2165.8-1710000115.2
889Q30Very low31.9Very low190 Ų190138 Ų13889%0.88878%0.783SS**  cis87.9115.634.4-167.5-175.8-2.100114.7
890G29Very low31.8Very low71 Ų71140.6 Ų140.673%0.73279%0.788SS**  trans126.7125.7175.200000111.3
891S31.6Very low32.7Very low112 Ų112138.1 Ų138.178%0.78379%0.787SS**  cis91.383.330-175.10000115.1
892A31.4Very low32.8Very low96 Ų96135.5 Ų135.579%0.79379%0.788SS**  trans177.1158.3151.700000110.7
893F29.4Very low32.3Very low173 Ų173134 Ų13476%0.75979%0.789SS**  cis-173147.1-41.3-123.3-67.5000107
894N30.1Very low31.8Very low134 Ų134135.8 Ų135.872%0.71780%0.798SS**  trans66.5153.4173.3-51.9-30.4000114.6
895D31.5Very low31.9Very low166 Ų166132.3 Ų132.389%0.88880%0.8SS**  cis-110.1160.320.9-82.4-45000116.5
896F31.7Very low31.2Very low174 Ų174129 Ų12976%0.76379%0.792SS**  trans-151.3120.8-172.5-155.1-78.5000111.4Q898F896-Q898 HydrophobicContact CE1-CG 4.11Å
897A30.2Very low31.1Very low102 Ų102131.6 Ų131.684%0.84380%0.799SS**  trans-152.2127.2168.200000111.1
898Q37.5Very low30.9Very low155 Ų155133.9 Ų133.972%0.72480%0.803SS**  trans-105.3170.9175.6-68.9-173.2-12.600111.5F896F896-Q898 HydrophobicContact CE1-CG 4.11Å
899P34.8Very low30.7Very low124 Ų124130.9 Ų130.981%0.80580%0.798SS**  -135.9113.8121.234.9-23.8000115.6
900K26.5Very low30.4Very low184 Ų184130.4 Ų130.480%0.880%0.795SS**  42.3129.2122.3-152.7171.2-172.6176.80121.3
901P48.3Very low30.2Very low114 Ų114136 Ų13674%0.7480%0.803SS**  trans-104.6161.6176.240.2-34.9000115.1
902T31.6Very low30.1Very low145 Ų145136.2 Ų136.289%0.8980%0.804SS**  trans-166154.8153.59.70000114.9
903A28.8Very low30.1Very low102 Ų102136.9 Ų136.984%0.84380%0.803SS**  trans80.6156155.200000120.8
904T28.5Very low31Very low141 Ų141133.9 Ų133.987%0.86580%0.801SS**  trans-128.5146.6-166.850.70000112.2
905A28.3Very low30.9Very low106 Ų106133 Ų13388%0.87680%0.801SS**  trans-155.3155.1156.100000112.1
906S25.1Very low31Very low105 Ų105130.3 Ų130.373%0.73479%0.794SS**  trans-83.4158.6169.5177.30000111.1
907V29.8Very low31Very low135 Ų135126.7 Ų126.782%0.81880%0.797SS**  178.5157.1124.5146.50000112
908N23.8Very low31Very low156 Ų156129.8 Ų129.883%0.83480%0.798SS**  trans-72.5175.3179.7-52-29000114.2
909G26.3Very low30.9Very low64 Ų64131.1 Ų131.166%0.6680%0.802SS**  trans136.695.2170.100000109.3
910E23.7Very low31.2Very low179 Ų179136.8 Ų136.884%0.83681%0.807SS**  61.5135.869.6-67.6-169.6113.500114.3
911E25Very low31.5Very low190 Ų190133 Ų13389%0.88880%0.803SS**  trans63.4134.1169.3-61.3177.5169.100116.2
912S30.5Very low30.7Very low115 Ų115134 Ų13480%0.80480%0.802SS**  cis-158161.913.743.40000112
913S31.5Very low30.6Very low111 Ų111133.3 Ų133.378%0.77680%0.797SS**  trans-102.6-176.1161.9-42.80000108.8
914P48.4Very low30.8Very low109 Ų109133.9 Ų133.971%0.70879%0.79SS**  cis-137.8-152.8-7.436.5-13.5000113.1
915T26.6Very low31.1Very low117 Ų117132 Ų13272%0.71879%0.789SS**  trans70.396.8151.447.20000122.5
916S34.9Very low31.1Very low108 Ų108134.1 Ų134.176%0.75579%0.785SS**  41132.2117.366.10000124.5
917A30.6Very low31.6Very low98 Ų98134.7 Ų134.781%0.8179%0.785SS**  trans86.7126.2135.100000122.4
918L29.9Very low31.7Very low168 Ų168137.3 Ų137.388%0.8879%0.785SS**  trans-175.8158.2156.1-96171.9000107.7
919K36.7Very low32.1Very low182 Ų182135.5 Ų135.579%0.79178%0.78SS**  -170.3168.1-62.5-111.7-176.4178.8176.40108.6
920R41.1Very low32.2Very low244 Ų244136.3 Ų136.392%0.92178%0.775SS**  trans92143.4178.5-53.8161.3-167.8-125.41.7113.7
921S31.4Very low32.7Very low103 Ų103136.2 Ų136.272%0.7277%0.772SS**  cis-177.1161.6-14.7-88.10000106.7
922L32.4Very low32.9Very low137 Ų137134 Ų13472%0.71776%0.762SS**  cis-161.8154.8-13.6-101.7165.7000104.9V924L922-V924 HydrophobicContact CD2-CG2 3.67Å
923V28.2Very low32.8Very low129 Ų129134.6 Ų134.678%0.78276%0.756SS**  -177.7119.176.7166.10000103.7
924V34.9Very low32.7Very low115 Ų115136.6 Ų136.670%0.69776%0.757SS**  77.799.365.91780000115.7L922L922-V924 HydrophobicContact CD2-CG2 3.67Å
925A33.6Very low31.7Very low101 Ų101138.1 Ų138.184%0.83576%0.759SS**  trans173.4143.5133.800000110.9
926N29.5Very low31.9Very low151 Ų151139.1 Ų139.181%0.80776%0.755SS**  cis-150.8166-30.1-164.514.3000110
927T34.4Very low31.6Very low117 Ų117142.2 Ų142.272%0.71876%0.758SS**  trans-93.9164.2-161.258.80000117
928K32.8Very low31.6Very low189 Ų189141.7 Ų141.782%0.82275%0.753SS**  trans-177.3162.9130.9-101179.4178.4-176.70109.1
929T31.6Very low31.3Very low119 Ų119139.2 Ų139.273%0.7375%0.75SS**  cis-174.5162-37.325.50000105.7
930S29.5Very low31Very low81 Ų81139.1 Ų139.157%0.56675%0.753SS**  cis165.2154.5-21.9-175.60000106.4
931F32.2Very low30.3Very low177 Ų177133.5 Ų133.578%0.77675%0.745SS**  trans69.5152.1169.7-63.3-60.5000117.5
932Q29.9Very low30.3Very low144 Ų144134.2 Ų134.267%0.67375%0.745SS**  cis-164.5152-27.5-152.6-178.7-48.600110.9
933D29Very low30.2Very low126 Ų126134.2 Ų134.267%0.67474%0.741SS**  trans69.2159.8143.2-109.2-50.5000125.9
934L28.2Very low30.2Very low154 Ų154138 Ų13881%0.80674%0.742SS**  trans87125.5153.6-122.573.8000123.5
935L28.9Very low29.9Very low140 Ų140140 Ų14073%0.73375%0.748SS**  trans-76175.3162.5-97.457.4000112.4
936Q29.6Very low29.8Very low139 Ų139143.5 Ų143.565%0.6575%0.745SS**  116.5102.8128.2-141.383.574.300118.4
937Q29.6Very low29.9Very low173 Ų173143.1 Ų143.181%0.80874%0.741SS**  trans63.5165.8144.3-71.1170-13.300120.5
938A29.2Very low29.7Very low86 Ų86144.6 Ų144.671%0.71174%0.74SS**  cis-173.8140.3-3900000111.9
939S25.6Very low29.6Very low116 Ų116140 Ų14081%0.81173%0.731SS**  trans-155.9122.2162.7-55.40000107.2
940Q29.2Very low29.6Very low181 Ų181139.1 Ų139.185%0.84673%0.73SS**  41.6125.977.5-58.2-163.129.300113.2
941T27.6Very low29.8Very low125 Ų125144 Ų14477%0.76774%0.744SS**  cis-137.8151.124.940.10000111
942V30Very low29.9Very low118 Ų118140 Ų14072%0.71574%0.735SS**  cis95.612242.4168.50000114.2
943Q30.4Very low30.1Very low137 Ų137137.9 Ų137.964%0.6474%0.741SS**  trans85.2143.5-179.6-45.3-145.113.500116
944R28.5Very low30.2Very low209 Ų209136.5 Ų136.579%0.78975%0.748SS**  cis-141.2174.514.2-135.1161.3-143.8123.30.1113
945N28.3Very low30.5Very low157 Ų157136 Ų13684%0.8475%0.752SS**  trans-80.3158.5-149.3-61.3-10.7000118.8
946K31.4Very low30.6Very low174 Ų174137.1 Ų137.176%0.75776%0.756SS**  trans-82156.2169177.8-163.7178.9-162.10112.2
947I31.9Very low30.9Very low144 Ų144135 Ų13574%0.73876%0.762SS**  trans177.6117.5139.9-95.4155.2000110.3
948E30.9Very low31.2Very low147 Ų147131.4 Ų131.469%0.68776%0.762SS**  54.3145.3122.3-103.9142.8-112.300120.7
949S31.2Very low31.6Very low92 Ų92134.5 Ų134.564%0.64377%0.767SS**  cis-158.7157.420.1-54.90000115.3
950S30.6Very low32.3Very low101 Ų101136 Ų13671%0.70677%0.766SS**  trans60140.6130.866.30000126.5
951E33.8Very low32.8Very low183 Ų183137.1 Ų137.186%0.85577%0.769SS**  trans82.9164.7143.3-80.2-175143.200121.6
952T35.1Very low33.2Very low94 Ų94136.1 Ų136.158%0.57777%0.767SS**  trans-144.6161.9-143.138.50000115.7
953A33.2Very low34Very low99 Ų99137.6 Ų137.682%0.81877%0.77SS**  trans76.3126158.200000120.2
954A31.2Very low34.6Very low97 Ų97138.1 Ų138.180%0.80278%0.777SS**  trans-154.1142.2147.600000110.3
955T35.4Very low35.1Very low145 Ų145135.7 Ų135.789%0.8978%0.779SS**  trans-107.3131.3173.2-52.30000109.1
956I30.3Very low35.6Very low162 Ų162135.5 Ų135.583%0.83178%0.778SS**  trans-136.5145.6168.4-60-176.5000108.7
957A35Very low36.2Very low94 Ų94136.8 Ų136.878%0.77778%0.783SS**  trans-105.9165.7179.600000111.8
958A35.8Very low36.8Very low98 Ų98141.4 Ų141.481%0.8179%0.791SS**  trans-144.4115.6163.700000109.8
959D37.8Very low37.6Very low151 Ų151142.7 Ų142.781%0.80780%0.798SS**  trans-79.2-162.2154.8-79-64.6000109
960D41.8Very low38.1Very low149 Ų149144.5 Ų144.580%0.79781%0.807SS**  trans72.970.4170.6-62.1-23.2000118
961F39.1Very low38.7Very low204 Ų204146 Ų14690%0.89581%0.811SS**  trans-125.5113.3143.3-81.1-79.1000110.8
962S36.4Very low38.9Very low104 Ų104143 Ų14373%0.72780%0.801SS**  trans-77.4132.8177.6-65.70000111.5
963L46.4Very low39.2Very low148 Ų148144.4 Ų144.478%0.77581%0.812SS**  trans-89.51.3-178.6-65.6175.6000114.2N965 L966L963-N965 PolarHBondContact O-N 3.25Å; L963-L966 PolarHBondContact O-N 3.1Å
964D42.9Very low39.9Very low148 Ų148143.1 Ų143.179%0.79180%0.801SS**THydrogen-bonded Turntrans-65.2-7.9-166.6-67.9-31000116
965N39.4Very low40.7Very low158 Ų158146.7 Ų146.785%0.84580%0.801SS**THydrogen-bonded Turntrans-108.36.7179.5-80.3-47.7000114.9L963 K967L963-N965 PolarHBondContact O-N 3.25Å; N965-K967 PolarHBondContact O-N 3.25Å; N965-K967 VanDerWaalsContact O-N 3.09Å
966L39.2Very low41.2Very low153 Ų153147.5 Ų147.580%0.80180%0.8SS**SBendtrans-73.8104.4172.3-148.476.9000109.8L963 R968L963-L966 PolarHBondContact O-N 3.1Å; L966-R968 PolarHBondContact O-N 3.25Å
967K42.8Very low42.1Very low201 Ų201148 Ų14887%0.87480%0.799SS**PPolyproline II helixtrans-56.1122.5-177.3-67.5179.4-180176.60110.6N965N965-K967 PolarHBondContact O-N 3.25Å; N965-K967 VanDerWaalsContact O-N 3.09Å
968R45.3Very low42.7Very low241 Ų241150.6 Ų150.691%0.90980%0.8SS**PPolyproline II helixtrans-67.4134.4171.1-63.9177.6-178.1159.52109.6L966L966-R968 PolarHBondContact O-N 3.25Å
969E46.1Very low43.1Very low175 Ų175152 Ų15282%0.81879%0.794SS**PPolyproline II helixtrans-63.2152.4160.9-71.4-169.9128.300110.2V971E969-V971 PolarHBondContact O-N 3.16Å
970P42.6Very low43.9Very low129 Ų129152.8 Ų152.884%0.83880%0.796SS**PPolyproline II helixtrans-65.7121.1178.426.8-33.9000110.6D972P970-D972 PolarHBondContact O-N 3.02Å
971V43.6Very low44.3Very low132 Ų132152.4 Ų152.480%0.879%0.793SS**PPolyproline II helixtrans-69.5116.7170.7177.10000108.6E969 P973E969-V971 PolarHBondContact O-N 3.16Å; V971-P973 WeakPolarHBondContact O-CD 3.43Å
972D37Very low44.6Very low120 Ų120146.1 Ų146.164%0.64279%0.786SS**  trans-81.7113.3173.5-163.3-13.1000109.4P970 A974P970-D972 PolarHBondContact O-N 3.02Å; D972-A974 PolarHBondContact O-N 3.14Å
973P42.9Very low44.7Very low124 Ų124150.5 Ų150.581%0.80581%0.808SS**THydrogen-bonded Turntrans-79.837.4-168.835-38.4000113.5V971V971-P973 WeakPolarHBondContact O-CD 3.43Å
974A46Very low44.7Very low72 Ų72150.7 Ų150.760%0.59581%0.81SS**THydrogen-bonded Turntrans-123.7-15.3-17000000115.4D972D972-A974 PolarHBondContact O-N 3.14Å
975E48.3Very low44.8Very low172 Ų172150.8 Ų150.880%0.80481%0.811SS**SBendtrans-94.6-8.7-175.2-65-151.7127.900115.6H977E975-H977 PolarHBondContact O-N 3.18Å
976D47.4Very low45.1Very low162 Ų162150.4 Ų150.487%0.86681%0.809SS**THydrogen-bonded Turntrans-63.5-0.2-177.6-105.3-5.2000115.3
977H49.1Very low45.4Very low172 Ų172150.2 Ų150.280%0.79681%0.81SS**THydrogen-bonded Turntrans-133.247.3-175.9-77.2-1.8000114E975E975-H977 PolarHBondContact O-N 3.18Å
978N46.3Very low45.6Very low149 Ų149147.1 Ų147.180%0.79781%0.806SS**  trans-145.261.2162-90.9-57.4000113.2I980N978-I980 PolarHBondContact O-N 3.3Å
979D43.8Very low45.6Very low128 Ų128140.8 Ų140.868%0.68480%0.799SS**  trans-65.9102.4168.8-130.2-47.7000110.4L981D979-L981 PolarHBondContact O-N 3.18Å; D979-L981 VanDerWaalsContact O-N 3.09Å
980I56.3Low45.5Very low167 Ų167138.4 Ų138.486%0.85680%0.797SS**SBendtrans-74.11.6-174.1-155165.7000113N978N978-I980 PolarHBondContact O-N 3.3Å
981L48.9Very low45.8Very low141 Ų141139.1 Ų139.174%0.73879%0.794SS**SBendtrans-136.376.4166.8-67.4175.9000108.8D979 V983D979-L981 PolarHBondContact O-N 3.18Å; D979-L981 VanDerWaalsContact O-N 3.09Å; L981-V983 PolarHBondContact O-N 3.41Å
982G46Very low46Very low73 Ų73139.7 Ų139.775%0.75379%0.794SS**  trans-50.7108.6-17200000115.1
983V39.3Very low46.8Very low196 Ų196141.5 Ų141.5100%1.18881%0.808SS**  trans-137.90177.5170.30000108.5L981L981-V983 PolarHBondContact O-N 3.41Å

Retrieved 983 of 983 residues in 281.1 ms (Link to these results)