A0A075BID1_DROME Loading...

Stonewall

AlphaFold DB , UniProt , Accession A0A075BID1, Species DROME (Drosophila melanogaster, Fruit fly), Gene stwl, Length 987 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E83.7Confident90.4Very high177 Ų177127 Ų12783%0.82755%0.552SS**  0-62.50-63.1-150.712700117.1C3 K4 R5E1-C3 VanDerWaalsContact C-N 3.28Å; E1-C3 PolarHBondContact O-N 3.23Å; E1-K4 WeakPolarHBondContact O-CA 3.36Å; E1-K4 WeakPolarHBondContact O-CB 3.36Å; E1-K4 PolarHBondContact O-N 3.15Å; E1-R5 PolarHBondContact O-N 3.28Å; E1-R5 IonicContact OE2-NH2 2.77Å
2K88.2Confident90.6Very high182 Ų182123.1 Ų123.179%0.79154%0.542SS*.Hα-helixtrans-49.5-42.1-161.8-65178.2-177.8175.10114.2R5 R6K2-R5 PolarHBondContact O-N 3.19Å; K2-R6 PolarHBondContact O-N 2.93Å
3C85.6Confident90.7Very high104 Ų104117.5 Ų117.570%0.70352%0.521SS*.Hα-helixtrans-58.5-51.3173-177.50000113E1 R5 R6 W7E1-C3 VanDerWaalsContact C-N 3.28Å; E1-C3 PolarHBondContact O-N 3.23Å; C3-R5 PolarHBondContact O-N 2.9Å; C3-R5 VanDerWaalsContact O-N 3.12Å; C3-R6 PolarHBondContact O-N 3.42Å; C3-W7 WeakPolarHBondContact O-CB 3.41Å; C3-W7 PolarHBondContact O-N 3.3Å
4K90Very high90.8Very high156 Ų156109.4 Ų109.468%0.67849%0.485SS*.Hα-helixtrans-54.4-33.7175.2-65-174.1178.3-179.50112.1E1 R8E1-K4 WeakPolarHBondContact O-CA 3.36Å; E1-K4 WeakPolarHBondContact O-CB 3.36Å; E1-K4 PolarHBondContact O-N 3.15Å; K4-R8 VanDerWaalsContact O-CG 3.31Å; K4-R8 WeakPolarHBondContact O-CG 3.3Å; K4-R8 PolarHBondContact O-N 2.88Å
5R91.3Very high90.8Very high155 Ų155104.3 Ų104.359%0.58547%0.466SS*.Hα-helixtrans-73.6-44175.1-169175.9-67.8132.68.8112.4E1 K2 C3 R8 Q9E1-R5 PolarHBondContact O-N 3.28Å; E1-R5 IonicContact OE2-NH2 2.77Å; K2-R5 PolarHBondContact O-N 3.19Å; C3-R5 PolarHBondContact O-N 2.9Å; C3-R5 VanDerWaalsContact O-N 3.12Å; R5-R8 PolarHBondContact O-N 2.94Å; R5-Q9 PolarHBondContact O-N 3.02Å; R5-Q9 VanDerWaalsContact O-N 3.13Å
6R93.4Very high90.8Very high142 Ų142106.6 Ų106.654%0.53647%0.47SS..Hα-helixtrans-64.9-38175.9-177.258.4170.4-170.4-2.6112.4K2 C3 Q9 L10K2-R6 PolarHBondContact O-N 2.93Å; C3-R6 PolarHBondContact O-N 3.42Å; R6-Q9 WeakPolarHBondContact O-CB 3.48Å; R6-Q9 PolarHBondContact O-N 3.45Å; R6-Q9 VanDerWaalsContact O-N 3.17Å; R6-L10 HydrophobicContact CG-CD1 4.19Å; R6-L10 HydrophobicContact CG-CG 4.49Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 3.09Å
7W91.9Very high90.8Very high89 Ų89102.4 Ų102.434%0.33745%0.45SS..Hα-helixtrans-63.7-43.4176.3-177.3-137.5000112.5C3 Q9 L10 R11 L40 F42 L43C3-W7 WeakPolarHBondContact O-CB 3.41Å; C3-W7 PolarHBondContact O-N 3.3Å; W7-Q9 VanDerWaalsContact C-N 3.29Å; W7-Q9 PolarHBondContact O-N 3.45Å; W7-L10 HydrophobicContact CE3-CB 4.38Å; W7-L10 HydrophobicContact CE3-CD1 4.49Å; W7-L10 PolarHBondContact O-N 3.08Å; W7-R11 WeakPolarHBondContact O-CB 3.33Å; W7-R11 PolarHBondContact O-N 3Å; W7-L40 HydrophobicContact CH2-CD2 4Å; W7-L40 HydrophobicContact CZ3-CD2 3.78Å; W7-F42 AromaticContact CH2-CZ 3.86Å; W7-F42 HydrophobicContact CH2-CZ 3.86Å; W7-F42 HydrophobicContact CZ2-CZ 4.3Å; W7-L43 HydrophobicContact CH2-CD1 3.94Å; W7-L43 HydrophobicContact CH2-CD2 4.21Å; W7-L43 HydrophobicContact CH2-CG 4.47Å; W7-L43 HydrophobicContact CZ2-CD1 4.47Å; W7-L43 HydrophobicContact CZ2-CD2 4.12Å
8R92.8Very high90.7Very high162 Ų16297.4 Ų97.461%0.61143%0.43SS*.Hα-helixtrans-60.1-38.4171.3-71.2169.1-175.6161.20.7112K4 R5 N12K4-R8 VanDerWaalsContact O-CG 3.31Å; K4-R8 WeakPolarHBondContact O-CG 3.3Å; K4-R8 PolarHBondContact O-N 2.88Å; R5-R8 PolarHBondContact O-N 2.94Å; R8-N12 VanDerWaalsContact O-CB 3.28Å; R8-N12 WeakPolarHBondContact O-CB 3.27Å; R8-N12 PolarHBondContact O-N 2.98Å; R8-N12 PolarHBondContact O-ND2 3.32Å; R8-N12 PolarHBondContact O-OD1 3.35Å
9Q92.7Very high90.5Very high94 Ų9497 Ų9744%0.43943%0.433SS..Hα-helixtrans-64.7-53.8175.5-179.1174.118.600111.5R5 R6 W7 R11 N12 D13R5-Q9 PolarHBondContact O-N 3.02Å; R5-Q9 VanDerWaalsContact O-N 3.13Å; R6-Q9 WeakPolarHBondContact O-CB 3.48Å; R6-Q9 PolarHBondContact O-N 3.45Å; R6-Q9 VanDerWaalsContact O-N 3.17Å; W7-Q9 VanDerWaalsContact C-N 3.29Å; W7-Q9 PolarHBondContact O-N 3.45Å; Q9-R11 PolarHBondContact O-N 3.4Å; Q9-N12 PolarHBondContact O-N 3.04Å; Q9-N12 VanDerWaalsContact O-N 3.11Å; Q9-D13 VanDerWaalsContact CG-OD2 3.23Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.44Å; Q9-D13 WeakPolarHBondContact O-CB 3.46Å; Q9-D13 PolarHBondContact O-N 3.45Å
10L93Very high90.3Very high36 Ų3694.3 Ų94.319%0.18843%0.428CS..Hα-helixtrans-55.1-47.4179-72.7169.2000112R6 W7 N12 D13 Y14 L36R6-L10 HydrophobicContact CG-CD1 4.19Å; R6-L10 HydrophobicContact CG-CG 4.49Å; R6-L10 WeakPolarHBondContact O-CG 3.49Å; R6-L10 PolarHBondContact O-N 3.09Å; W7-L10 HydrophobicContact CE3-CB 4.38Å; W7-L10 HydrophobicContact CE3-CD1 4.49Å; W7-L10 PolarHBondContact O-N 3.08Å; L10-N12 PolarHBondContact O-N 3.42Å; L10-D13 PolarHBondContact O-N 3.49Å; L10-Y14 WeakPolarHBondContact O-CB 3.28Å; L10-Y14 PolarHBondContact O-N 3.44Å; L10-L36 HydrophobicContact CD2-CD1 3.76Å
11R91.9Very high90.1Very high100 Ų10089.9 Ų89.938%0.37741%0.408SS..Hα-helixtrans-57.5-50.5174.2-173.3-172.5-53.8-172.70.2111.7W7 Q9 D13 Y14 T15 L43W7-R11 WeakPolarHBondContact O-CB 3.33Å; W7-R11 PolarHBondContact O-N 3Å; Q9-R11 PolarHBondContact O-N 3.4Å; R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.15Å; R11-Y14 PolarHBondContact O-N 3.45Å; R11-T15 PolarHBondContact O-N 3.34Å; R11-T15 PolarHBondContact O-OG1 3.37Å; R11-L43 HydrophobicContact CG-CD1 4.3Å
12N92.5Very high90Very high80 Ų8082.7 Ų82.743%0.42838%0.379SS..Hα-helixtrans-65.3-32.5-178.2-70.3-11.6000112.7R8 Q9 L10 R16R8-N12 VanDerWaalsContact O-CB 3.28Å; R8-N12 WeakPolarHBondContact O-CB 3.27Å; R8-N12 PolarHBondContact O-N 2.98Å; R8-N12 PolarHBondContact O-ND2 3.32Å; R8-N12 PolarHBondContact O-OD1 3.35Å; Q9-N12 PolarHBondContact O-N 3.04Å; Q9-N12 VanDerWaalsContact O-N 3.11Å; L10-N12 PolarHBondContact O-N 3.42Å; N12-R16 WeakPolarHBondContact O-CB 3.26Å; N12-R16 WeakPolarHBondContact O-CG 3.45Å; N12-R16 VanDerWaalsContact O-CZ 3.24Å; N12-R16 PolarHBondContact O-N 3.44Å; N12-R16 VanDerWaalsContact O-N 3.09Å; N12-R16 PolarHBondContact O-NE 3.46Å
13D91.8Very high89.7Confident50 Ų5077.9 Ų77.927%0.26736%0.362SS..Hα-helixtrans-73.2-39.6175.1-70-31.7000111.5Q9 L10 R11 R16 W17Q9-D13 VanDerWaalsContact CG-OD2 3.23Å; Q9-D13 WeakPolarHBondContact CG-OD2 3.44Å; Q9-D13 WeakPolarHBondContact O-CB 3.46Å; Q9-D13 PolarHBondContact O-N 3.45Å; L10-D13 PolarHBondContact O-N 3.49Å; R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.15Å; D13-R16 WeakPolarHBondContact O-CB 3.33Å; D13-R16 PolarHBondContact O-N 3.08Å; D13-R16 IonicContact OD1-CZ 2.68Å; D13-R16 IonicContact OD1-NE 3.18Å; D13-R16 PolarHBondContact OD1-NE 3.08Å; D13-R16 IonicContact OD1-NH2 3.53Å; D13-R16 PolarHBondContact OD1-NH2 3.23Å; D13-W17 PolarHBondContact O-N 3.36Å
14Y92.4Very high89.6Confident4 Ų474.2 Ų74.22%0.01633%0.334CS..Hα-helixtrans-62.5-51.7171.5-175.9-110.4000112L10 R11 R16 W17 C18 Y34 L40 L43 D44 L47L10-Y14 WeakPolarHBondContact O-CB 3.28Å; L10-Y14 PolarHBondContact O-N 3.44Å; R11-Y14 PolarHBondContact O-N 3.45Å; Y14-R16 VanDerWaalsContact C-N 3.26Å; Y14-R16 PolarHBondContact O-N 3.28Å; Y14-W17 AromaticContact CD2-CE3 3.99Å; Y14-W17 HydrophobicContact CD2-CE3 3.99Å; Y14-W17 HydrophobicContact CD2-CZ3 4.41Å; Y14-W17 AromaticContact CE2-CE3 3.73Å; Y14-W17 HydrophobicContact CE2-CE3 3.73Å; 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 3.4Å; Y14-W17 WeakPolarHBondContact O-CB 3.46Å; Y14-W17 PolarHBondContact O-N 3.45Å; Y14-C18 VanDerWaalsContact CE1-SG 3.54Å; Y14-C18 PolarHBondContact O-N 3.34Å; Y14-C18 PolarHBondContact O-SG 3.27Å; Y14-C18 VanDerWaalsContact O-SG 3.38Å; Y14-Y34 AromaticContact CD2-CD1 3.89Å; Y14-Y34 HydrophobicContact CD2-CD1 3.89Å; Y14-Y34 AromaticContact CD2-CE1 3.79Å; Y14-Y34 HydrophobicContact CD2-CE1 3.79Å; Y14-L40 HydrophobicContact CD1-CB 4.05Å; Y14-L40 HydrophobicContact CD2-CB 3.76Å; Y14-L40 HydrophobicContact CD2-CD1 4.1Å; Y14-L40 HydrophobicContact CE1-CB 4.16Å; Y14-L40 WeakPolarHBondContact CE1-O 3.48Å; Y14-L40 HydrophobicContact CE2-CB 3.87Å; Y14-L40 HydrophobicContact CG-CB 3.87Å; Y14-L40 HydrophobicContact CG-CD1 3.96Å; Y14-L43 HydrophobicContact CD1-CB 4.27Å; Y14-L43 HydrophobicContact CD1-CD1 4.24Å; Y14-L43 HydrophobicContact CE1-CB 4.15Å; Y14-D44 VanDerWaalsContact CE1-OD1 3.24Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.45Å; Y14-D44 VanDerWaalsContact OH-CG 3.27Å; Y14-D44 PolarHBondContact OH-OD1 2.77Å; Y14-D44 PolarHBondContact OH-OD2 2.99Å; Y14-L47 HydrophobicContact CD1-CD1 3.96Å; Y14-L47 HydrophobicContact CE1-CD1 4.22Å
15T90.4Very high89.1Confident33 Ų3372.2 Ų72.220%0.20232%0.322CS..Hα-helixtrans-58.9-36.2176.3-49.20000112.1R11 N19 L47R11-T15 PolarHBondContact O-N 3.34Å; R11-T15 PolarHBondContact O-OG1 3.37Å; T15-N19 WeakPolarHBondContact O-CB 3.41Å; T15-N19 PolarHBondContact O-N 2.86Å; T15-N19 VanDerWaalsContact O-N 3.12Å; T15-N19 PolarHBondContact O-ND2 3.11Å; T15-L47 HydrophobicContact CG2-CD2 4.22Å; T15-L47 VanDerWaalsContact OG1-CD1 3.32Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.5Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.49Å
16R90.8Very high88.5Confident141 Ų14172.5 Ų72.553%0.53232%0.323SS..Hα-helixtrans-63.1-43.6171-87-176.5-79.2-85.66.8112N12 D13 Y14 A20N12-R16 WeakPolarHBondContact O-CB 3.26Å; N12-R16 WeakPolarHBondContact O-CG 3.45Å; N12-R16 VanDerWaalsContact O-CZ 3.24Å; N12-R16 PolarHBondContact O-N 3.44Å; N12-R16 VanDerWaalsContact O-N 3.09Å; N12-R16 PolarHBondContact O-NE 3.46Å; D13-R16 WeakPolarHBondContact O-CB 3.33Å; D13-R16 PolarHBondContact O-N 3.08Å; D13-R16 IonicContact OD1-CZ 2.68Å; D13-R16 IonicContact OD1-NE 3.18Å; D13-R16 PolarHBondContact OD1-NE 3.08Å; D13-R16 IonicContact OD1-NH2 3.53Å; D13-R16 PolarHBondContact OD1-NH2 3.23Å; Y14-R16 VanDerWaalsContact C-N 3.26Å; Y14-R16 PolarHBondContact O-N 3.28Å; R16-A20 WeakPolarHBondContact O-CB 3.37Å; R16-A20 PolarHBondContact O-N 3Å
17W91.8Very high87.9Confident36 Ų3671.4 Ų71.414%0.13633%0.328CS..Hα-helixtrans-64.8-47.6177.6172.980.1000112.2D13 Y14 N19 A20 D21 L32 Y34 A37D13-W17 PolarHBondContact O-N 3.36Å; Y14-W17 AromaticContact CD2-CE3 3.99Å; Y14-W17 HydrophobicContact CD2-CE3 3.99Å; Y14-W17 HydrophobicContact CD2-CZ3 4.41Å; Y14-W17 AromaticContact CE2-CE3 3.73Å; Y14-W17 HydrophobicContact CE2-CE3 3.73Å; 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 3.4Å; Y14-W17 WeakPolarHBondContact O-CB 3.46Å; Y14-W17 PolarHBondContact O-N 3.45Å; W17-N19 PolarHBondContact O-N 3.48Å; W17-A20 CarbonylContact O-C 3.55Å; W17-A20 WeakPolarHBondContact O-CA 3.49Å; W17-A20 WeakPolarHBondContact O-CB 3.5Å; W17-A20 PolarHBondContact O-N 3.1Å; W17-A20 VanDerWaalsContact O-N 3.1Å; W17-D21 WeakPolarHBondContact O-CB 3.4Å; W17-D21 PolarHBondContact O-N 2.91Å; W17-L32 WeakPolarHBondContact CZ2-O 3.38Å; W17-L32 PolarHBondContact NE1-O 2.82Å; W17-Y34 HydrophobicContact CB-CD2 4.31Å; W17-Y34 HydrophobicContact CB-CG 4.38Å; W17-Y34 HydrophobicContact CD2-CG 4.14Å; W17-Y34 HydrophobicContact CG-CD2 4.28Å; W17-Y34 HydrophobicContact CG-CG 4.04Å; W17-A37 HydrophobicContact CH2-CB 3.79Å; W17-A37 HydrophobicContact CZ2-CB 4.39Å; W17-A37 HydrophobicContact CZ3-CB 4.04Å
18C88.1Confident87.3Confident12 Ų1270.8 Ų70.88%0.08135%0.349CS..Hα-helixtrans-59.9-44.3178-58.70000111.7Y14 A20 D21 A22 I49Y14-C18 VanDerWaalsContact CE1-SG 3.54Å; Y14-C18 PolarHBondContact O-N 3.34Å; Y14-C18 PolarHBondContact O-SG 3.27Å; Y14-C18 VanDerWaalsContact O-SG 3.38Å; C18-A20 VanDerWaalsContact C-N 3.33Å; C18-A20 PolarHBondContact O-N 2.86Å; C18-D21 PolarHBondContact O-N 3.39Å; C18-A22 PolarHBondContact O-N 3.39Å; C18-I49 HydrophobicContact CB-CD1 3.65Å
19N87.4Confident86.7Confident90 Ų9069 Ų6948%0.48135%0.348SS..Hα-helixtrans-62.6-38.7174.6-83.8-78.8000112.4T15 W17 D21 N23T15-N19 WeakPolarHBondContact O-CB 3.41Å; T15-N19 PolarHBondContact O-N 2.86Å; T15-N19 VanDerWaalsContact O-N 3.12Å; T15-N19 PolarHBondContact O-ND2 3.11Å; W17-N19 PolarHBondContact O-N 3.48Å; N19-D21 VanDerWaalsContact C-N 3.29Å; N19-N23 PolarHBondContact O-N 3.32Å; N19-N23 PolarHBondContact O-ND2 3.29Å
20A86.3Confident85.8Confident42 Ų4273.6 Ų73.635%0.34736%0.361SS..Hα-helixtrans-69-28.4173.200000112.3R16 W17 C18 R24R16-A20 WeakPolarHBondContact O-CB 3.37Å; R16-A20 PolarHBondContact O-N 3Å; W17-A20 CarbonylContact O-C 3.55Å; W17-A20 WeakPolarHBondContact O-CA 3.49Å; W17-A20 WeakPolarHBondContact O-CB 3.5Å; W17-A20 PolarHBondContact O-N 3.1Å; W17-A20 VanDerWaalsContact O-N 3.1Å; C18-A20 VanDerWaalsContact C-N 3.33Å; C18-A20 PolarHBondContact O-N 2.86Å; A20-R24 WeakPolarHBondContact O-CG 3.41Å; A20-R24 PolarHBondContact O-N 2.95Å; A20-R24 PolarHBondContact O-NH1 3.39Å
21D85.3Confident85Confident2 Ų278.7 Ų78.71%0.01138%0.378CS..Hα-helixtrans-79.7-42.2-179.8-155.665.7000113.1W17 C18 N19 N23 R24 R25 R31W17-D21 WeakPolarHBondContact O-CB 3.4Å; W17-D21 PolarHBondContact O-N 2.91Å; C18-D21 PolarHBondContact O-N 3.39Å; N19-D21 VanDerWaalsContact C-N 3.29Å; D21-N23 PolarHBondContact O-N 3.09Å; D21-R24 CarbonylContact O-C 3.39Å; D21-R24 WeakPolarHBondContact O-CA 3.25Å; D21-R24 WeakPolarHBondContact O-CB 3.45Å; D21-R24 PolarHBondContact O-N 3.33Å; D21-R24 IonicContact OD1-CZ 3.29Å; D21-R24 VanDerWaalsContact OD1-CZ 3.26Å; D21-R24 IonicContact OD1-NE 2.95Å; D21-R24 PolarHBondContact OD1-NE 2.8Å; D21-R24 IonicContact OD1-NH2 3.5Å; D21-R24 PolarHBondContact OD1-NH2 3.19Å; D21-R25 PolarHBondContact O-N 2.76Å; D21-R31 WeakPolarHBondContact OD1-CA 3.47Å; D21-R31 IonicContact OD2-CZ 3.2Å; D21-R31 IonicContact OD2-NE 2.68Å; D21-R31 PolarHBondContact OD2-NE 3.1Å; D21-R31 IonicContact OD2-NH2 3.35Å; D21-R31 PolarHBondContact OD2-NH2 3.38Å
22A82.6Confident84.3Confident26 Ų2679 Ų7922%0.21539%0.387CS..Hα-helixtrans-57.3-41.216900000110.9C18 R25 R26C18-A22 PolarHBondContact O-N 3.39Å; A22-R25 PolarHBondContact O-N 2.99Å; A22-R26 WeakPolarHBondContact O-CB 3.43Å; A22-R26 VanDerWaalsContact O-CG 3.28Å; A22-R26 WeakPolarHBondContact O-CG 3.41Å; A22-R26 PolarHBondContact O-N 2.88Å
23N81.5Confident83.5Confident82 Ų8280.2 Ų80.244%0.43941%0.407SS..Hα-helixtrans-68.9-28.8172.4-75.8-62000113.4N19 D21 N27N19-N23 PolarHBondContact O-N 3.32Å; N19-N23 PolarHBondContact O-ND2 3.29Å; D21-N23 PolarHBondContact O-N 3.09Å; N23-N27 WeakPolarHBondContact O-CB 3.33Å; N23-N27 PolarHBondContact O-N 3.09Å; N23-N27 PolarHBondContact O-ND2 3.05Å
24R82.9Confident83.1Confident27 Ų2780 Ų8010%0.10240%0.403CS..Hα-helixtrans-69.5-46.9170.4-80.6-177.2-63.1-91.57.5111.7A20 D21 R26 N27 G28 Q29A20-R24 WeakPolarHBondContact O-CG 3.41Å; A20-R24 PolarHBondContact O-N 2.95Å; A20-R24 PolarHBondContact O-NH1 3.39Å; D21-R24 CarbonylContact O-C 3.39Å; D21-R24 WeakPolarHBondContact O-CA 3.25Å; D21-R24 WeakPolarHBondContact O-CB 3.45Å; D21-R24 PolarHBondContact O-N 3.33Å; D21-R24 IonicContact OD1-CZ 3.29Å; D21-R24 VanDerWaalsContact OD1-CZ 3.26Å; D21-R24 IonicContact OD1-NE 2.95Å; D21-R24 PolarHBondContact OD1-NE 2.8Å; D21-R24 IonicContact OD1-NH2 3.5Å; D21-R24 PolarHBondContact OD1-NH2 3.19Å; R24-R26 PolarHBondContact O-N 3.34Å; R24-N27 CarbonylContact O-C 3.56Å; R24-N27 WeakPolarHBondContact O-CA 3.41Å; R24-N27 PolarHBondContact O-N 2.71Å; R24-G28 PolarHBondContact O-N 3.37Å; R24-G28 VanDerWaalsContact O-N 3.1Å; R24-Q29 HydrophobicContact CB-CB 4Å; R24-Q29 HydrophobicContact CG-CB 4.13Å; R24-Q29 PolarHBondContact O-N 2.93Å
25R81.1Confident82.8Confident113 Ų11385.6 Ų85.643%0.42644%0.44SS..Hα-helixtrans-52.8-53.1174.9-74.8179166.5-133.5-1.9111.1D21 A22 N27 G28D21-R25 PolarHBondContact O-N 2.76Å; A22-R25 PolarHBondContact O-N 2.99Å; R25-N27 PolarHBondContact O-N 3.45Å; R25-N27 VanDerWaalsContact O-N 3.09Å; R25-G28 PolarHBondContact O-N 3.38Å
26R78.4Confident82.6Confident162 Ų16286.4 Ų86.461%0.61144%0.443SS*.THydrogen-bonded Turntrans-60.8-17.4176-68170.7-175.8176.3-4.6114.5A22 R24 D52A22-R26 WeakPolarHBondContact O-CB 3.43Å; A22-R26 VanDerWaalsContact O-CG 3.28Å; A22-R26 WeakPolarHBondContact O-CG 3.41Å; A22-R26 PolarHBondContact O-N 2.88Å; R24-R26 PolarHBondContact O-N 3.34Å; R26-D52 IonicContact CZ-OD2 3.2Å; R26-D52 IonicContact NE-OD2 3.45Å; R26-D52 VanDerWaalsContact NH2-CG 3.34Å; R26-D52 IonicContact NH2-OD1 2.82Å; R26-D52 PolarHBondContact NH2-OD1 2.71Å; R26-D52 IonicContact NH2-OD2 2.7Å; R26-D52 PolarHBondContact NH2-OD2 3.46Å
27N80.6Confident82.2Confident118 Ų11880.3 Ų80.363%0.63142%0.423SS*.THydrogen-bonded Turntrans-105.310.4175.1-74.4-57.9000113.3N23 R24 R25 Q29N23-N27 WeakPolarHBondContact O-CB 3.33Å; N23-N27 PolarHBondContact O-N 3.09Å; N23-N27 PolarHBondContact O-ND2 3.05Å; R24-N27 CarbonylContact O-C 3.56Å; R24-N27 WeakPolarHBondContact O-CA 3.41Å; R24-N27 PolarHBondContact O-N 2.71Å; R25-N27 PolarHBondContact O-N 3.45Å; R25-N27 VanDerWaalsContact O-N 3.09Å; N27-Q29 HydrophobicContact CB-CG 4.38Å; N27-Q29 PolarHBondContact O-N 3.38Å
28G79.1Confident81.9Confident77 Ų7785 Ų8579%0.79445%0.451SS*.THydrogen-bonded Turntrans66.418.1-179.200000115R24 R25R24-G28 PolarHBondContact O-N 3.37Å; R24-G28 VanDerWaalsContact O-N 3.1Å; R25-G28 PolarHBondContact O-N 3.38Å
29Q79.8Confident81.9Confident123 Ų12390.8 Ų90.858%0.57548%0.476SS*.PPolyproline II helixtrans-92.5135.4-178.2-66-174.7-12.900111.4R24 N27R24-Q29 HydrophobicContact CB-CB 4Å; R24-Q29 HydrophobicContact CG-CB 4.13Å; R24-Q29 PolarHBondContact O-N 2.93Å; N27-Q29 HydrophobicContact CB-CG 4.38Å; N27-Q29 PolarHBondContact O-N 3.38Å
30R74.9Confident82Confident192 Ų19287 Ų8773%0.72546%0.456SS*.PPolyproline II helixtrans-53.3142.7175.3-73.4-173.6171.5-139.4-0.7111L32 D64R30-L32 PolarHBondContact O-N 2.95Å; R30-D64 IonicContact CZ-OD2 2.71Å; R30-D64 IonicContact NH1-OD2 3.02Å; R30-D64 PolarHBondContact NH1-OD2 3.26Å; R30-D64 IonicContact NH2-OD1 2.67Å; R30-D64 IonicContact NH2-OD2 3.26Å; R30-D64 PolarHBondContact NH2-OD2 2.85Å
31R76.2Confident81.9Confident143 Ų14393.3 Ų93.354%0.5447%0.471SS..PPolyproline II helixtrans-58.6136.3178.1-49.3-170.782.2178.54.8109.6D21D21-R31 WeakPolarHBondContact OD1-CA 3.47Å; D21-R31 IonicContact OD2-CZ 3.2Å; D21-R31 IonicContact OD2-NE 2.68Å; D21-R31 PolarHBondContact OD2-NE 3.1Å; D21-R31 IonicContact OD2-NH2 3.35Å; D21-R31 PolarHBondContact OD2-NH2 3.38Å
32L75.8Confident82Confident107 Ų10798.9 Ų98.956%0.5650%0.495SS*.PPolyproline II helixtrans-90.2125.3170.1-67.1178.4000108.2W17 R30 Y34W17-L32 WeakPolarHBondContact CZ2-O 3.38Å; W17-L32 PolarHBondContact NE1-O 2.82Å; R30-L32 PolarHBondContact O-N 2.95Å; L32-Y34 PolarHBondContact O-N 3.44Å
33A75.8Confident82.2Confident104 Ų10498.1 Ų98.186%0.8649%0.487SS*.PPolyproline II helixtrans-60.9130.8178.400000111.4
34Y84.6Confident82.4Confident45 Ų4595.6 Ų95.618%0.17647%0.474CS..  trans-107.5127.7166.7177-106.4000107.9Y14 W17 L32 L36 A37 L40Y14-Y34 AromaticContact CD2-CD1 3.89Å; Y14-Y34 HydrophobicContact CD2-CD1 3.89Å; Y14-Y34 AromaticContact CD2-CE1 3.79Å; Y14-Y34 HydrophobicContact CD2-CE1 3.79Å; W17-Y34 HydrophobicContact CB-CD2 4.31Å; W17-Y34 HydrophobicContact CB-CG 4.38Å; W17-Y34 HydrophobicContact CD2-CG 4.14Å; W17-Y34 HydrophobicContact CG-CD2 4.28Å; W17-Y34 HydrophobicContact CG-CG 4.04Å; L32-Y34 PolarHBondContact O-N 3.44Å; Y34-L36 HydrophobicContact CD1-CB 4.27Å; Y34-L36 HydrophobicContact CE1-CB 3.8Å; Y34-L36 PolarHBondContact O-N 2.97Å; Y34-A37 HydrophobicContact CD1-CB 4.47Å; Y34-A37 VanDerWaalsContact O-CB 3.26Å; Y34-A37 WeakPolarHBondContact O-CB 3.43Å; Y34-A37 PolarHBondContact O-N 3.47Å; Y34-L40 HydrophobicContact CE1-CD1 4.2Å
35P85.1Confident82.1Confident123 Ų123104.5 Ų104.580%0.79951%0.508SS*.THydrogen-bonded Turntrans-61.1-17.9-168.1-28.336000116.4
36L85.7Confident81.8Confident49 Ų49105.8 Ų105.826%0.25752%0.518SS..THydrogen-bonded Turntrans-117.927.9179.4-50.4170.6000110.8L10 Y34 E39 L40L10-L36 HydrophobicContact CD2-CD1 3.76Å; Y34-L36 HydrophobicContact CD1-CB 4.27Å; Y34-L36 HydrophobicContact CE1-CB 3.8Å; Y34-L36 PolarHBondContact O-N 2.97Å; L36-E39 HydrophobicContact CB-CB 4.44Å; L36-E39 WeakPolarHBondContact CD2-OE1 3.48Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.41Å; L36-L40 HydrophobicContact CB-CD1 4.15Å; L36-L40 HydrophobicContact CB-CG 4.19Å; L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-N 3.1Å
37A83.1Confident81.5Confident14 Ų14100.4 Ų100.412%0.11650%0.502CS..Hα-helixtrans-63.3-51.3-175.200000111.6W17 Y34 L40 R41W17-A37 HydrophobicContact CH2-CB 3.79Å; W17-A37 HydrophobicContact CZ2-CB 4.39Å; W17-A37 HydrophobicContact CZ3-CB 4.04Å; Y34-A37 HydrophobicContact CD1-CB 4.47Å; Y34-A37 VanDerWaalsContact O-CB 3.26Å; Y34-A37 WeakPolarHBondContact O-CB 3.43Å; Y34-A37 PolarHBondContact O-N 3.47Å; A37-L40 PolarHBondContact O-N 2.73Å; A37-R41 PolarHBondContact O-N 3.09Å
38D85Confident80.7Confident135 Ų135100.7 Ų100.772%0.72250%0.503SS*.Hα-helixtrans-72.5-39.9-177.2-51.4-64.7000111.3L40 R41D38-L40 VanDerWaalsContact C-N 3.25Å; D38-L40 PolarHBondContact O-N 3.36Å; D38-R41 WeakPolarHBondContact O-CB 3.24Å; D38-R41 PolarHBondContact O-N 2.85Å
39E89.1Confident79.8Confident133 Ų13398.9 Ų98.962%0.62148%0.475SS*.Hα-helixtrans-58-33.2173.3-70.8-176.9-143.200113.5L36 F42L36-E39 HydrophobicContact CB-CB 4.44Å; L36-E39 WeakPolarHBondContact CD2-OE1 3.48Å; L36-E39 WeakPolarHBondContact CD2-OE2 3.41Å; E39-F42 VanDerWaalsContact O-CD1 3.25Å; E39-F42 WeakPolarHBondContact O-CD1 3.38Å; E39-F42 VanDerWaalsContact O-CE1 3.26Å; E39-F42 WeakPolarHBondContact O-CE1 3.4Å
40L88.5Confident78.4Confident11 Ų1195.3 Ų95.36%0.05847%0.466CS..Hα-helixtrans-102.91.1-177.7-62-175.4000113.8W7 Y14 Y34 L36 A37 D38 F42 L43W7-L40 HydrophobicContact CH2-CD2 4Å; W7-L40 HydrophobicContact CZ3-CD2 3.78Å; Y14-L40 HydrophobicContact CD1-CB 4.05Å; Y14-L40 HydrophobicContact CD2-CB 3.76Å; Y14-L40 HydrophobicContact CD2-CD1 4.1Å; Y14-L40 HydrophobicContact CE1-CB 4.16Å; Y14-L40 WeakPolarHBondContact CE1-O 3.48Å; Y14-L40 HydrophobicContact CE2-CB 3.87Å; Y14-L40 HydrophobicContact CG-CB 3.87Å; Y14-L40 HydrophobicContact CG-CD1 3.96Å; Y34-L40 HydrophobicContact CE1-CD1 4.2Å; L36-L40 HydrophobicContact CB-CD1 4.15Å; L36-L40 HydrophobicContact CB-CG 4.19Å; L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-N 3.1Å; A37-L40 PolarHBondContact O-N 2.73Å; D38-L40 VanDerWaalsContact C-N 3.25Å; D38-L40 PolarHBondContact O-N 3.36Å; L40-F42 HydrophobicContact CD2-CE1 4.3Å; L40-F42 PolarHBondContact O-N 2.88Å; L40-F42 VanDerWaalsContact O-N 3.1Å; L40-L43 HydrophobicContact CB-CD1 4.19Å; L40-L43 HydrophobicContact CD2-CD1 4.14Å; L40-L43 VanDerWaalsContact O-CB 3.23Å; L40-L43 WeakPolarHBondContact O-CB 3.33Å; L40-L43 WeakPolarHBondContact O-CG 3.48Å; L40-L43 PolarHBondContact O-N 2.95Å
41R85.8Confident77.1Confident173 Ų17392.3 Ų92.365%0.65346%0.464SS*.G310 helixtrans-56.8-28.5-179.1-15817976.7171.76.4113.5A37 D38 L43 D44A37-R41 PolarHBondContact O-N 3.09Å; D38-R41 WeakPolarHBondContact O-CB 3.24Å; D38-R41 PolarHBondContact O-N 2.85Å; R41-L43 PolarHBondContact O-N 3Å; R41-L43 VanDerWaalsContact O-N 3.16Å; R41-D44 WeakPolarHBondContact CG-OD2 3.42Å; R41-D44 WeakPolarHBondContact O-CB 3.49Å; R41-D44 PolarHBondContact O-N 3.06Å
42F86.8Confident75.6Confident120 Ų12090 Ų9053%0.52646%0.463SS..G310 helixtrans-61.3-20.9173.777.4-90000113.5W7 E39 L40 D44 H46W7-F42 AromaticContact CH2-CZ 3.86Å; W7-F42 HydrophobicContact CH2-CZ 3.86Å; W7-F42 HydrophobicContact CZ2-CZ 4.3Å; E39-F42 VanDerWaalsContact O-CD1 3.25Å; E39-F42 WeakPolarHBondContact O-CD1 3.38Å; E39-F42 VanDerWaalsContact O-CE1 3.26Å; E39-F42 WeakPolarHBondContact O-CE1 3.4Å; L40-F42 HydrophobicContact CD2-CE1 4.3Å; L40-F42 PolarHBondContact O-N 2.88Å; L40-F42 VanDerWaalsContact O-N 3.1Å; F42-D44 VanDerWaalsContact C-N 3.33Å; F42-H46 PolarHBondContact O-CD2 2.7Å
43L86.8Confident74.4Confident9 Ų989 Ų895%0.04746%0.456CS..G310 helixtrans-75-18.1175.4-62.1178.2000113.2W7 R11 Y14 L40 R41 R45 H46 L47W7-L43 HydrophobicContact CH2-CD1 3.94Å; W7-L43 HydrophobicContact CH2-CD2 4.21Å; W7-L43 HydrophobicContact CH2-CG 4.47Å; W7-L43 HydrophobicContact CZ2-CD1 4.47Å; W7-L43 HydrophobicContact CZ2-CD2 4.12Å; R11-L43 HydrophobicContact CG-CD1 4.3Å; Y14-L43 HydrophobicContact CD1-CB 4.27Å; Y14-L43 HydrophobicContact CD1-CD1 4.24Å; Y14-L43 HydrophobicContact CE1-CB 4.15Å; L40-L43 HydrophobicContact CB-CD1 4.19Å; L40-L43 HydrophobicContact CD2-CD1 4.14Å; L40-L43 VanDerWaalsContact O-CB 3.23Å; L40-L43 WeakPolarHBondContact O-CB 3.33Å; L40-L43 WeakPolarHBondContact O-CG 3.48Å; L40-L43 PolarHBondContact O-N 2.95Å; R41-L43 PolarHBondContact O-N 3Å; R41-L43 VanDerWaalsContact O-N 3.16Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.47Å; L43-H46 CarbonylContact O-C 3.34Å; L43-H46 WeakPolarHBondContact O-CA 3.32Å; L43-H46 PolarHBondContact O-N 3.25Å; L43-L47 HydrophobicContact CB-CD1 3.9Å; L43-L47 HydrophobicContact CB-CG 4.39Å; L43-L47 WeakPolarHBondContact O-CB 3.28Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.45Å
44D84.3Confident72.8Confident30 Ų3088.6 Ų88.616%0.1645%0.453CS..G310 helixtrans-62.7-36.5-175.4-67.9-36.8000112.1Y14 R41 F42 H46 L47 N48 I49Y14-D44 VanDerWaalsContact CE1-OD1 3.24Å; Y14-D44 WeakPolarHBondContact CE1-OD1 3.45Å; Y14-D44 VanDerWaalsContact OH-CG 3.27Å; Y14-D44 PolarHBondContact OH-OD1 2.77Å; Y14-D44 PolarHBondContact OH-OD2 2.99Å; R41-D44 WeakPolarHBondContact CG-OD2 3.42Å; R41-D44 WeakPolarHBondContact O-CB 3.49Å; R41-D44 PolarHBondContact O-N 3.06Å; F42-D44 VanDerWaalsContact C-N 3.33Å; D44-H46 VanDerWaalsContact C-N 3.27Å; D44-H46 PolarHBondContact O-N 3.19Å; D44-L47 PolarHBondContact O-N 3.1Å; D44-N48 PolarHBondContact O-N 3.32Å; D44-I49 HydrophobicContact CB-CB 4.17Å; D44-I49 HydrophobicContact CB-CG2 4.5Å; D44-I49 PolarHBondContact O-N 2.68Å; D44-I49 VanDerWaalsContact O-N 3.1Å; D44-I49 WeakPolarHBondContact OD1-CD1 3.33Å
45R78.5Confident70.8Confident213 Ų21390.1 Ų90.180%0.80448%0.475SS*.G310 helixtrans-67-24.3171.6-169.8177.5-177.1-172.42.9113.3L43L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 3.47Å
46H74.6Confident68.8Low140 Ų14092 Ų9265%0.64848%0.478SS*.G310 helixtrans-97.6-2.3177.9-62.4-60.5000113.7F42 L43 D44F42-H46 PolarHBondContact O-CD2 2.7Å; L43-H46 CarbonylContact O-C 3.34Å; L43-H46 WeakPolarHBondContact O-CA 3.32Å; L43-H46 PolarHBondContact O-N 3.25Å; D44-H46 VanDerWaalsContact C-N 3.27Å; D44-H46 PolarHBondContact O-N 3.19Å
47L72.4Confident66.5Low50 Ų5095.8 Ų95.826%0.26250%0.499SS..THydrogen-bonded Turntrans-113.82.7178.9-70.4171.3000112.1Y14 T15 L43 D44 I49Y14-L47 HydrophobicContact CD1-CD1 3.96Å; Y14-L47 HydrophobicContact CE1-CD1 4.22Å; T15-L47 HydrophobicContact CG2-CD2 4.22Å; T15-L47 VanDerWaalsContact OG1-CD1 3.32Å; T15-L47 WeakPolarHBondContact OG1-CD1 3.5Å; T15-L47 WeakPolarHBondContact OG1-CD2 3.49Å; L43-L47 HydrophobicContact CB-CD1 3.9Å; L43-L47 HydrophobicContact CB-CG 4.39Å; L43-L47 WeakPolarHBondContact O-CB 3.28Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.45Å; D44-L47 PolarHBondContact O-N 3.1Å; L47-I49 VanDerWaalsContact C-N 3.26Å; L47-I49 HydrophobicContact CB-CD1 3.53Å; L47-I49 HydrophobicContact CB-CG1 3.81Å; L47-I49 HydrophobicContact CD1-CD1 3.79Å; L47-I49 HydrophobicContact CG-CD1 4.31Å; L47-I49 PolarHBondContact O-N 3.19Å
48N62.2Low64.6Low124 Ų124103.2 Ų103.266%0.66354%0.536SS*.THydrogen-bonded Turntrans51.244.5-174.5-5920.9000112.1D44D44-N48 PolarHBondContact O-N 3.32Å
49I60.4Low62.3Low39 Ų39107.5 Ų107.520%0.254%0.542CS..  trans-90.6-17.5176-64.5166.9000110.6C18 D44 L47 D51C18-I49 HydrophobicContact CB-CD1 3.65Å; D44-I49 HydrophobicContact CB-CB 4.17Å; D44-I49 HydrophobicContact CB-CG2 4.5Å; D44-I49 PolarHBondContact O-N 2.68Å; D44-I49 VanDerWaalsContact O-N 3.1Å; D44-I49 WeakPolarHBondContact OD1-CD1 3.33Å; L47-I49 VanDerWaalsContact C-N 3.26Å; L47-I49 HydrophobicContact CB-CD1 3.53Å; L47-I49 HydrophobicContact CB-CG1 3.81Å; L47-I49 HydrophobicContact CD1-CD1 3.79Å; L47-I49 HydrophobicContact CG-CD1 4.31Å; L47-I49 PolarHBondContact O-N 3.19Å; I49-D51 PolarHBondContact O-N 3.49Å
50A51Low59.7Low47 Ų47106 Ų10639%0.38855%0.547SS..G310 helixtrans-68.1-31.7-174.800000114.5D52 M53A50-D52 PolarHBondContact O-N 3.02Å; A50-M53 WeakPolarHBondContact O-CB 3.3Å; A50-M53 PolarHBondContact O-N 3.42Å
51D47.5Very low57.3Low129 Ų129111 Ų11169%0.6958%0.578SS**G310 helixtrans-71.4-16.5-169.8-48-36.8000113.2I49I49-D51 PolarHBondContact O-N 3.49Å
52D44.9Very low54.9Low95 Ų95109.3 Ų109.351%0.50859%0.592SS.*G310 helixtrans-96.17.3174.8-144.265000111.8R26 A50R26-D52 IonicContact CZ-OD2 3.2Å; R26-D52 IonicContact NE-OD2 3.45Å; R26-D52 VanDerWaalsContact NH2-CG 3.34Å; R26-D52 IonicContact NH2-OD1 2.82Å; R26-D52 PolarHBondContact NH2-OD1 2.71Å; R26-D52 IonicContact NH2-OD2 2.7Å; R26-D52 PolarHBondContact NH2-OD2 3.46Å; A50-D52 PolarHBondContact O-N 3.02Å
53M49.9Very low52.7Low86 Ų86107.4 Ų107.442%0.42459%0.594SS.*SBendtrans-114.4-4.1178.6-55.7-8082.600113.5A50 A55A50-M53 WeakPolarHBondContact O-CB 3.3Å; A50-M53 PolarHBondContact O-N 3.42Å; M53-A55 VanDerWaalsContact C-N 3.31Å; M53-A55 PolarHBondContact O-N 2.98Å
54A42.3Very low50.2Low96 Ų96112.7 Ų112.779%0.79362%0.622SS**SBendtrans-87.27.9-175.700000114.5
55A42.8Very low48.2Very low77 Ų77119.2 Ų119.264%0.63665%0.649SS**SBendtrans-130.8124.4172.100000108.7M53M53-A55 VanDerWaalsContact C-N 3.31Å; M53-A55 PolarHBondContact O-N 2.98Å
56D43.7Very low46.3Very low162 Ų162116.8 Ų116.887%0.86665%0.652SS**SBendtrans54.899.9-179.2-55-33.3000116.2
57D36.3Very low44.7Very low129 Ų129121.6 Ų121.669%0.6966%0.664SS**  174.251.5109.7-164.18.3000113R59D57-R59 VanDerWaalsContact C-N 3.25Å; D57-R59 PolarHBondContact O-N 2.98Å
58D44.3Very low43.2Very low169 Ų169126.6 Ų126.690%0.90469%0.691SS**SBendtrans-86.566.2166.2-104.5-34000110.1
59R35.9Very low41.8Very low225 Ų225128.9 Ų128.985%0.84970%0.704SS**SBendtrans161.2101.3153.1-88.5154.6-178.4-1660110.8D57D57-R59 VanDerWaalsContact C-N 3.25Å; D57-R59 PolarHBondContact O-N 2.98Å
60S34.2Very low40.6Very low103 Ų103134.3 Ų134.372%0.7273%0.733SS**  166.4166.4112.4-73.10000115
61V38.8Very low39.8Very low115 Ų115141.7 Ų141.770%0.69775%0.751SS**  trans7165159-151.90000117.7S63V61-S63 WeakPolarHBondContact CG1-O 3.46Å; V61-S63 PolarHBondContact O-N 3.37Å
62S35.8Very low39.1Very low137 Ų137141.3 Ų141.396%0.95875%0.749SS**  trans-70.161.7143.846.20000111.3
63S39.4Very low38.6Very low80 Ų80142.8 Ų142.856%0.55977%0.767SS**  trans-151.898.5177.9-177.20000112.1V61V61-S63 WeakPolarHBondContact CG1-O 3.46Å; V61-S63 PolarHBondContact O-N 3.37Å
64D33.8Very low37.8Very low121 Ų121148.2 Ų148.265%0.64779%0.791SS**  trans-138.242.6162.2-153.813.3000109.1R30R30-D64 IonicContact CZ-OD2 2.71Å; R30-D64 IonicContact NH1-OD2 3.02Å; R30-D64 PolarHBondContact NH1-OD2 3.26Å; R30-D64 IonicContact NH2-OD1 2.67Å; R30-D64 IonicContact NH2-OD2 3.26Å; R30-D64 PolarHBondContact NH2-OD2 2.85Å
65K43.3Very low37.2Very low167 Ų167146.9 Ų146.973%0.72679%0.787SS**SBendtrans-126.9168.9164.6-85.1-172.4174.6-178.80107.6R67K65-R67 PolarHBondContact O-N 3.06Å
66D38.2Very low36.7Very low161 Ų161150 Ų15086%0.86180%0.797SS**  trans6437.4169.7-46.5-31.9000114.8
67R42.2Very low36.1Very low241 Ų241148.9 Ų148.991%0.90979%0.792SS**  trans-115.447.4160.7-139179.5-164.1165.97.5112.9K65K65-R67 PolarHBondContact O-N 3.06Å
68D39.3Very low36.1Very low155 Ų155152 Ų15283%0.82980%0.802SS**  trans-155.377.1163.2-103.3-28.8000110.3
69N33.4Very low35.4Very low172 Ų172152.7 Ų152.792%0.9280%0.8SS**  trans-158117.6150-101.1-31000108.5
70N36Very low35Very low153 Ų153146.9 Ų146.982%0.81880%0.799SS**  trans-105.9166.9173.2-171.312.5000108
71R32.8Very low34.8Very low202 Ų202150.7 Ų150.776%0.76281%0.806SS**  trans98.4110.9149.9-152.3170.7-163.21597.4119.3
72D33.6Very low34.4Very low121 Ų121149.4 Ų149.465%0.64781%0.807SS**  trans45.8108.4138.2-38.5-17.7000119.4
73S34.5Very low34Very low127 Ų127147.4 Ų147.489%0.88879%0.793SS**  trans-157.2139.5139.6-770000111.1
74E33.8Very low33.5Very low199 Ų199150.5 Ų150.593%0.9380%0.803SS**  trans-72.6160.6170.9-60.4163.8166.400108.9
75G29.6Very low33.2Very low68 Ų68152.1 Ų152.170%0.70180%0.804SS**  cis129.6131.513.600000109
76V32.1Very low32.4Very low142 Ų142151 Ų15186%0.86180%0.801SS**  trans-176.2131.1164.1135.50000108.7
77D31.9Very low31.8Very low140 Ų140154 Ų15475%0.74980%0.801SS**  trans-90.8154.8175.7-54.1-87000112.5
78Q34.3Very low31.1Very low195 Ų195147.1 Ų147.191%0.91180%0.795SS**  -157.6140.2123.7-116.3144.9109.200115.4
79H30.1Very low30.6Very low183 Ų183144.5 Ų144.585%0.84779%0.789SS**  trans-65.8147175.5-99.2-106000113.6
80A28.6Very low30.3Very low102 Ų102140.6 Ų140.684%0.84378%0.775SS**  -153.5145.8123.400000109.9
81Q30.1Very low29.9Very low183 Ų183139.5 Ų139.586%0.85577%0.774SS**  trans-143.4168.4174.6-144-16130.700109.8
82A28.7Very low29.7Very low88 Ų88135.8 Ų135.873%0.72778%0.779SS**  trans72.8156.8171.600000116.7
83S28.2Very low29.7Very low95 Ų95139 Ų13966%0.66479%0.787SS**  cis-173.1169.8-3161.70000110.4
84L28.8Very low29.5Very low145 Ų145140.4 Ų140.476%0.75978%0.784SS**  trans71.1106.4153.2-68.9166.6000120.6
85K28.4Very low29.2Very low155 Ų155136.2 Ų136.267%0.67477%0.772SS**  87.2146.5107.3-162.9168.2176.2-88.80120.7
86E26.6Very low29.3Very low143 Ų143140.5 Ų140.567%0.66877%0.771SS**  trans83.885.6157.4-118.5123.6-141.300121.7
87R25.7Very low29.3Very low226 Ų226141.1 Ų141.185%0.85376%0.764SS**  48.3106113.4-169.8-177.4-168.7159.95.9120.1
88A26Very low29.4Very low96 Ų96139.8 Ų139.879%0.79376%0.761SS**  trans57.4147.714500000118.6
89S28.9Very low29.5Very low100 Ų100139.2 Ų139.270%0.69976%0.756SS**  cis-163.6170.832.559.60000114.4
90S27.5Very low29.9Very low90 Ų90138 Ų13863%0.62975%0.754SS**  trans55108.4140.5640000121.8
91T27.4Very low30.3Very low130 Ų130136.7 Ų136.780%0.79874%0.744SS**  53.3124129.562.10000121.4
92S29.6Very low30.6Very low123 Ų123133.1 Ų133.186%0.8674%0.739SS**  176.5-170.294.953.20000112
93K33.7Very low30.6Very low189 Ų189136 Ų13682%0.82274%0.737SS**  trans-117-176.1-167.8-62.9176.5179.1176.40111.4
94L30.3Very low31.1Very low157 Ų157137.3 Ų137.382%0.82274%0.741SS**  trans87.5148.9169.3-80.381.8000117.5
95V26.1Very low31.5Very low110 Ų110138.9 Ų138.967%0.66774%0.737SS**  cis-168.9144.7-31.3103.50000112.1
96K32.7Very low31.8Very low159 Ų159139.6 Ų139.669%0.69174%0.74SS**  trans54147.1150.7-74.8171154.5-146.70125.1
97E31.6Very low32.1Very low154 Ų154138.4 Ų138.472%0.7274%0.735SS**  trans71.3156.4139.3-72.9171.4124.900121.4
98V33.6Very low32.5Very low113 Ų113135.7 Ų135.769%0.68573%0.729SS**  cis-175.7137.2-48.2128.90000111.2
99K37.7Very low32.8Very low183 Ų183135.7 Ų135.780%0.79672%0.723SS**  trans62.8161.4163.3-81.4176.3178.3176.90117
100L37.3Very low33Very low156 Ų156136 Ų13682%0.81773%0.725SS**  cis-154.5177.9-5.9-96.6146.2000106.1
101A36.5Very low33.2Very low75 Ų75139.6 Ų139.662%0.6273%0.732SS**  cis178.1-162-46.500000109.6
102S36.3Very low33.5Very low109 Ų109138.8 Ų138.876%0.76272%0.723SS**  trans96.5149.8154.486.30000121.8
103Q30.6Very low33.7Very low147 Ų147141.6 Ų141.669%0.68772%0.72SS**  -161.7155.5123.6-101.6-174.693.600109.2R105Q103-R105 VanDerWaalsContact OE1-CZ 3.24Å
104V37.8Very low33.4Very low123 Ų123142.2 Ų142.275%0.74572%0.717SS**  trans-142.1134.9-170.4-176.40000113.9
105R37.7Very low33.4Very low178 Ų178141.7 Ų141.767%0.67271%0.71SS**  trans-160.1171.6167.2-70.8102.4-138.4-167.77.5107.6Q103Q103-R105 VanDerWaalsContact OE1-CZ 3.24Å
106K35Very low33.4Very low171 Ų171142.9 Ų142.974%0.74371%0.713SS**  cis-178.1156.4-30.5-93.1-167.1167.7-143.40103.7
107E32.3Very low33Very low117 Ų117144.5 Ų144.555%0.54772%0.715SS.*  cis-154.8-166.1-7.3-118.9171.5-138.500104.2
108K35.1Very low32.8Very low170 Ų170144.9 Ų144.974%0.73972%0.716SS**  cis-163.5169.27.1-136.3-174.1-172.5850105
109S30.4Very low32.5Very low96 Ų96146.3 Ų146.367%0.67172%0.72SS**  cis-151.4-168.27.5-42.70000110.5
110S33.2Very low32.9Very low106 Ų106142.9 Ų142.974%0.74172%0.717SS**  trans-67.1163.3161.649.30000114.1
111Q32Very low32.4Very low165 Ų165138.9 Ų138.977%0.77171%0.713SS**  cis-159.1153.733.7-168178.3-4400115.5
112D33.8Very low32Very low113 Ų113141.5 Ų141.560%0.60472%0.717SS**  trans75.7115.6153.9-96.8-48000124.7
113K35Very low32Very low182 Ų182144.1 Ų144.179%0.79171%0.714SS**  trans87.5133.1132.2-101.1167.5-175160.40125.1
114R26.5Very low32Very low203 Ų203146.6 Ų146.677%0.76673%0.726SS**  trans77.4111.5163-63.9-167.8177.9-798.5119.4
115E31.1Very low31.7Very low145 Ų145151.6 Ų151.668%0.67873%0.732SS**  24137.4124-61.3129.8-17600118.2
116N26.1Very low31.2Very low135 Ų135148.3 Ų148.372%0.72274%0.736SS**  cis-159.5138.542-161.353.3000115
117W24.7Very low30.8Very low193 Ų193151 Ų15173%0.73174%0.741SS**  trans15.6146.1135-61.267.8000120.5
118E25.6Very low30.7Very low162 Ų162154.3 Ų154.376%0.75775%0.754SS**  cis-163-171.4-4.3-132.3-167.7166.500112.9
119N27.2Very low30.7Very low143 Ų143155.3 Ų155.377%0.76576%0.758SS**  trans-103-160.7169.9-135.9-14.3000108.5
120P48Very low30.7Very low111 Ų111155.8 Ų155.872%0.72176%0.762SS**  cis-128.2-174.5-41.640.4-25.1000113
121G25.8Very low30.8Very low72 Ų72154 Ų15474%0.74275%0.753SS**  101.6131.9126.600000123.2
122D28.8Very low30.8Very low131 Ų131154.7 Ų154.770%0.70176%0.757SS**  trans76.6131134.4-106.56.6000126.2
123K36.2Very low30.8Very low163 Ų163155.7 Ų155.771%0.70976%0.758SS**  trans17.4127145.7-53.3167.6-170.380.40120.5
124Q29.6Very low31Very low200 Ų200154.5 Ų154.594%0.93575%0.752SS**  -179.6-172.1107.3-99.5-155.414.300115.1
125R31.1Very low31.5Very low228 Ų228151.3 Ų151.386%0.8675%0.75SS**  trans-91.1140-169.2-83.8177.1162.6179.1-4.9115.1
126S28.3Very low31.4Very low109 Ų109150.6 Ų150.676%0.76275%0.751SS**  trans81.2134.6132.374.40000124.1
127R26.8Very low31.6Very low226 Ų226150.5 Ų150.585%0.85375%0.75SS**  trans94.9132.3135.3-140-178.5-175.3-178.51.9120.1
128K29.2Very low32.3Very low187 Ų187148.3 Ų148.381%0.81375%0.752SS**  trans69.2125.1174.6-55.7-178.7178.5-179.60114
129K35.5Very low32.7Very low191 Ų191149 Ų14983%0.8376%0.755SS**  cis88.7132.741.3-171.7178.4178.7-177.90113.1
130S30.7Very low32.9Very low107 Ų107150 Ų15075%0.74876%0.756SS**  trans67.3153.8168.336.70000118
131A35.4Very low32.1Very low68 Ų68149.4 Ų149.456%0.56275%0.754SS**  cis179.9164.4-25.100000108.7
132E32.4Very low32.3Very low180 Ų180152.5 Ų152.584%0.84175%0.753SS**  trans62.6162.2150.1-74.8156.7140.300117
133E33Very low32.5Very low133 Ų133155 Ų15562%0.62176%0.761SS**  cis-154.4172.4-17.6-134.5-170.2159.200109.6
134K38.4Very low33.1Very low157 Ų157152.2 Ų152.268%0.68376%0.759SS**  trans29.1154.8138.3-81.6179.5-172145.30122.9
135L37.5Very low33.2Very low136 Ų136149.5 Ų149.571%0.71275%0.747SS**  cis-168.6-166.9-11.3-136.2175.9000108.5
136D29.6Very low33Very low131 Ų131147 Ų14770%0.70174%0.742SS**  trans108.3113.5150-58.5-27000120.8
137D30.6Very low33.1Very low132 Ų132148.1 Ų148.171%0.70674%0.744SS**  trans62.1113.3134.8-73.20.2000126.9
138L38.1Very low34.1Very low148 Ų148142.7 Ų142.778%0.77574%0.738SS**  86.3149.2120.4-76.6167.3000124.4
139E33.9Very low34.3Very low175 Ų175141.7 Ų141.782%0.81874%0.736SS**  trans64145.1168.9-70.2175.7178.100118.3
140E32.1Very low34.1Very low166 Ų166139.6 Ų139.678%0.77673%0.733SS**  cis-163.5144.1-17176173.7-148.900109.2
141S31Very low33.9Very low97 Ų97141.3 Ų141.368%0.67873%0.734SS**  trans58.1149.4170-85.20000120.3
142D29.5Very low33.8Very low138 Ų138142.8 Ų142.874%0.73874%0.74SS**  cis-146.6142.41.9-96.9-27.1000112.7
143E34.4Very low33.7Very low183 Ų183141.2 Ų141.286%0.85573%0.731SS**  trans60.6156.8147.7-65.8-120.9100.800123.6
144P47.8Very low33.7Very low105 Ų105141.5 Ų141.568%0.68274%0.736SS**  trans-122.8-162.4-151.139.7-19.7000114.5
145E31.4Very low33.4Very low143 Ų143140.7 Ų140.767%0.66873%0.734SS**  cis-163.8147.125.1-153.1-172.8167.300115.9
146K28.1Very low33.2Very low176 Ų176139 Ų13977%0.76573%0.734SS**  trans64113.1151.5-88.3168.1-169.11520125.2
147V30.7Very low33.5Very low132 Ų132139.7 Ų139.780%0.874%0.738SS**  trans-75.5-176.9135.8-118.10000110.3
148P46.9Very low33.5Very low112 Ų112139.4 Ų139.473%0.72774%0.737SS**  cis-129.7-176.721.137.4-13.6000114.2
149E32.2Very low33.5Very low166 Ų166139.4 Ų139.478%0.77673%0.733SS**  cis-149.214033.6-70.3-179.1140.800115.6
150L31.7Very low33.4Very low147 Ų147138.2 Ų138.277%0.7773%0.732SS**  trans60.1133.3136.1-57.5175.7000125.3
151D27.1Very low33.5Very low142 Ų142137 Ų13776%0.75973%0.73SS**  trans7.4144.8153.9-59.6-48000122.5
152S32.4Very low33.6Very low99 Ų99140.4 Ų140.469%0.69274%0.736SS**  cis78.8148.930.9-1430000113.9
153F30.5Very low33.5Very low148 Ų148138.9 Ų138.965%0.64973%0.734SS**  cis-150.3-168.16.6-166.6-126.2000111.8Q155F153-Q155 HydrophobicContact CE1-CG 4.19Å; F153-Q155 VanDerWaalsContact CE1-OE1 3.28Å; F153-Q155 HydrophobicContact CZ-CG 3.99Å
154L34Very low33.4Very low139 Ų139137.9 Ų137.973%0.72873%0.732SS**  trans74.8101.1173.7-55.7174.8000116
155Q31.6Very low32.6Very low139 Ų139138.9 Ų138.965%0.6573%0.732SS**  75110.665.4-67.1-175.3-49.900113.1F153F153-Q155 HydrophobicContact CE1-CG 4.19Å; F153-Q155 VanDerWaalsContact CE1-OE1 3.28Å; F153-Q155 HydrophobicContact CZ-CG 3.99Å
156S33.2Very low32.8Very low101 Ų101140.4 Ų140.471%0.70674%0.738SS**  cis83.7136.149.775.30000113
157D36.5Very low33.1Very low145 Ų145139.7 Ų139.778%0.77574%0.738SS**  cis-169.7-164-12.5-151.8-25.4000108
158N30Very low33.1Very low127 Ų127140.5 Ų140.568%0.67973%0.733SS**  trans75154.7164-72.872.6000118.8
159E39.3Very low32.5Very low148 Ų148143.3 Ų143.369%0.69274%0.741SS**  cis-170.5174-42.3-115.8174-4800108.5
160D31.2Very low32.7Very low149 Ų149141.5 Ų141.580%0.79774%0.736SS**  trans65.7167.1164.6-47.6-31000121.6
161D34.4Very low32.8Very low140 Ų140142 Ų14275%0.74974%0.74SS**  -161.7164.9-62.9-152.2-10000110.9
162E31.8Very low33.4Very low170 Ų170142.9 Ų142.979%0.79474%0.744SS**  trans58.8158169.7-47.9-170.6147.500117.2
163C27.2Very low33.6Very low105 Ų105146.5 Ų146.571%0.70975%0.75SS**  cis-132.6170.610.1-56.20000108.9
164M33.3Very low33.5Very low163 Ų163142.5 Ų142.580%0.80375%0.751SS**  cis52149.148.3-45.4-51.9-154.600113.9
165D30.2Very low33.3Very low126 Ų126146.6 Ų146.667%0.67476%0.763SS**  cis-163.4176.9-28.5-108.4-30.2000106.3
166E36.9Very low33.1Very low174 Ų174146.6 Ų146.681%0.81377%0.767SS**  trans56.2123.2159.9-68.1166.6149.100118.7
167E34.2Very low32.8Very low162 Ų162150.1 Ų150.176%0.75777%0.77SS**  78.4138.768.9-156.9167.2-109.500114.7
168H30.9Very low32.4Very low148 Ų148148.3 Ų148.369%0.68576%0.761SS**  trans65.3117.7179.7-64.2-64.7000120.6
169L33.6Very low32.5Very low172 Ų172148.2 Ų148.290%0.90176%0.759SS**  -162.8137.195.9-102.8172.1000111.7
170D35.8Very low32.1Very low127 Ų127148.6 Ų148.668%0.67976%0.761SS**  trans-90.8161.9173.3-59.6-84000111.9
171D35.4Very low32Very low157 Ų157148.6 Ų148.684%0.8476%0.756SS**  trans40.8102.9156-65.4-21.4000120.7
172L38.2Very low31.7Very low161 Ų161146.5 Ų146.584%0.84375%0.752SS**  trans-151.891.5144.2-151.268.4000108.9
173E37.1Very low31.5Very low175 Ų175144 Ų14482%0.81875%0.745SS**  76.411184-171.3175.2-13900114
174G29.3Very low31.5Very low65 Ų65146.5 Ų146.567%0.6775%0.746SS**  trans68.3101.9142.500000119.8
175F28.6Very low31.4Very low224 Ų224146.2 Ų146.298%0.98274%0.743SS**  trans-130.6141.6134.3-109-87.5000109.5
176D28.9Very low31.5Very low140 Ų140149 Ų14975%0.74975%0.749SS**  trans-129.9177.1-162.8-171.921.3000110.5
177F26.4Very low31Very low175 Ų175150 Ų15077%0.76875%0.753SS**  trans74.8142.8171.2-103.8-113.1000118.4
178D28.7Very low30.8Very low107 Ų107148.8 Ų148.857%0.57275%0.752SS**  cis-166.9166.2-32.7-164.211.3000109.8
179L30.6Very low30.7Very low125 Ų125147.7 Ų147.765%0.65476%0.755SS**  trans74.3151.8142.5-13566.5000122.8
180E30.9Very low31.2Very low155 Ų155144.8 Ų144.872%0.72475%0.747SS**  trans73.1147.5160.9-59.2-153.3144.700121
181Q30.6Very low30.8Very low150 Ų150148.1 Ų148.170%0.70176%0.758SS**  cis-170.2151.6-45.5-124.1-171.871.200109.6
182S26.9Very low30.4Very low95 Ų95149.6 Ų149.666%0.66476%0.757SS**  trans66.6160.1164.587.50000115.9
183N27.2Very low29.9Very low119 Ų119146.8 Ų146.864%0.63675%0.751SS**  cis-134.9150.31.9-98.6-48.8000108.8
184Q28.6Very low29.4Very low157 Ų157145.8 Ų145.873%0.73475%0.751SS**  57.113085.5-106.3176.299.300112.4
185E31.1Very low29.4Very low157 Ų157149.4 Ų149.473%0.73475%0.75SS**  cis-141148.822.2-76.4-175.9109.300111
186K31.1Very low29.4Very low183 Ų183146.2 Ų146.280%0.79674%0.735SS**  56.8110.975.3-94.5-174.7-175.2175.10116
187E28.1Very low29.4Very low195 Ų195146.1 Ų146.191%0.91174%0.735SS**  -155.4175.3127.8-133.5-171.3155.100111.9
188L30.1Very low29.6Very low138 Ų138145.6 Ų145.672%0.72374%0.74SS**  trans-144.1126-153.9-77.2169.1000116.1
189T27.4Very low29.7Very low125 Ų125146.4 Ų146.477%0.76775%0.749SS**  trans76.3-172136.972.30000117.4
190P43.6Very low29.8Very low110 Ų110148.2 Ų148.271%0.71476%0.76SS**  -145.2121.9-108.539.6-15.4000118
191E27.8Very low29.7Very low197 Ų197146.1 Ų146.192%0.92176%0.762SS**  trans-92.5136.2176.2-75.9-8591.900113.9
192K27.5Very low29.9Very low189 Ų189145.5 Ų145.582%0.82277%0.769SS**  trans-86.4158.6167.4-68172.6177.8168.30108.5
193S27Very low30.3Very low102 Ų102147.6 Ų147.671%0.71378%0.777SS**  173.7162.365.750.40000112.4
194L28.1Very low30.6Very low154 Ų154146.9 Ų146.981%0.80678%0.781SS**  trans40.3142.3147.3-91.570.2000120.9
195E27.5Very low31.3Very low140 Ų140147.2 Ų147.265%0.65478%0.783SS**  cis-162.8175.51.4-153.4-169-175.900109.9
196K30Very low31.9Very low157 Ų157141.7 Ų141.768%0.68376%0.761SS**  trans75.389.5160.2-70.4169.4-176.7153.10119.2
197N28.5Very low33Very low138 Ų138138.9 Ų138.974%0.73875%0.751SS**  44.3109.3112.1-50.4-7.6000117.9
198N30.2Very low34.8Very low164 Ų164135.1 Ų135.188%0.87773%0.732SS**  -157.1166.196.9-96.3-42.2000111.5
199T31.8Very low36.5Very low124 Ų124133.8 Ų133.876%0.76172%0.72SS**  trans-95121.2-162.551.40000113.9
200D31Very low38.3Very low163 Ų163131.8 Ų131.887%0.87271%0.708SS**  trans-147.1105.7137.3-130.4-20000108.3
201S29.8Very low39.1Very low111 Ų111133.3 Ų133.378%0.77670%0.703SS**PPolyproline II helixtrans-90.8119.8-172.2-70.30000111.3
202T35.3Very low40.4Very low137 Ų137131.3 Ų131.384%0.8469%0.694SS**PPolyproline II helixtrans-63.1148.7175.247.10000111.9S204T202-S204 PolarHBondContact O-N 2.79Å
203V34.4Very low41.8Very low140 Ų140124.8 Ų124.885%0.84867%0.669SS**PPolyproline II helixtrans-67.8122.4-176.6176.60000110.5Q205V203-Q205 PolarHBondContact O-N 2.67Å
204S34.5Very low43.2Very low103 Ų103132.5 Ų132.572%0.7268%0.683SS**PPolyproline II helixtrans-63.2124.1177.7-179.10000111.8T202T202-S204 PolarHBondContact O-N 2.79Å
205Q42Very low44.6Very low164 Ų164127.3 Ų127.377%0.76666%0.656SS**PPolyproline II helixtrans-71.7145.1175-72.7-75.57.300111.5V203 E207V203-Q205 PolarHBondContact O-N 2.67Å; Q205-E207 PolarHBondContact O-N 3.29Å
206P43.9Very low46.1Very low42 Ų42125.8 Ų125.827%0.27366%0.658SS.*  trans-76.9106.117731.6-32.4000111F208P206-F208 HydrophobicContact CG-CE2 4.48Å; P206-F208 VanDerWaalsContact O-CD2 3.25Å; P206-F208 WeakPolarHBondContact O-CD2 3.48Å; P206-F208 WeakPolarHBondContact O-CE2 3.25Å
207E54.9Low47.4Very low124 Ų124128 Ų12858%0.57966%0.662SS**  trans-72.9127.8175.8-173.8-161.8147.500111.3Q205 K224Q205-E207 PolarHBondContact O-N 3.29Å; E207-K224 WeakPolarHBondContact O-CE 3.43Å; E207-K224 WeakPolarHBondContact O-CG 3.23Å; E207-K224 IonicContact OE1-NZ 2.7Å; E207-K224 PolarHBondContact OE1-NZ 3.19Å; E207-K224 VanDerWaalsContact OE2-CE 3.26Å; E207-K224 WeakPolarHBondContact OE2-CE 3.26Å; E207-K224 IonicContact OE2-NZ 3.61Å; E207-K224 PolarHBondContact OE2-NZ 3.48Å
208F65Low48.4Very low116 Ų116126.3 Ų126.351%0.50965%0.653SS.*EExtended strand (participates in β ladder)trans-97.6157.9176.6-65.6-100000111.1P206 I221 G222 R223P206-F208 HydrophobicContact CG-CE2 4.48Å; P206-F208 VanDerWaalsContact O-CD2 3.25Å; P206-F208 WeakPolarHBondContact O-CD2 3.48Å; P206-F208 WeakPolarHBondContact O-CE2 3.25Å; F208-I221 HydrophobicContact CB-CG2 4.26Å; F208-I221 HydrophobicContact CD1-CG2 3.96Å; F208-G222 WeakPolarHBondContact CA-O 3.23Å; F208-R223 HydrophobicContact CD1-CB 3.87Å; F208-R223 HydrophobicContact CD1-CG 4.31Å; F208-R223 HydrophobicContact CE1-CB 3.69Å; F208-R223 HydrophobicContact CE1-CG 3.91Å; F208-R223 HydrophobicContact CZ-CG 4.27Å
209F65.3Low49.9Very low110 Ų110123.4 Ų123.448%0.48264%0.637SS.*EExtended strand (participates in β ladder)trans-129.1142.9166.466.5-88.3000111.4K211 I221 G222F209-K211 HydrophobicContact CD2-CB 4.47Å; F209-K211 HydrophobicContact CE2-CB 4.38Å; F209-I221 WeakPolarHBondContact O-CA 3.39Å; F209-G222 PolarHBondContact N-O 2.97Å; F209-G222 PolarHBondContact O-N 3.1Å
210V65.8Low51.3Low83 Ų83122.5 Ų122.550%0.50363%0.626SS.*EExtended strand (participates in β ladder)trans-98.4114173.6-174.40000108.2Q212 L219 I221V210-Q212 PolarHBondContact O-N 2.78Å; V210-L219 HydrophobicContact CG1-CB 4.08Å; V210-L219 HydrophobicContact CG1-CD1 4.43Å; V210-L219 HydrophobicContact CG1-CD2 4.01Å; V210-L219 HydrophobicContact CG1-CG 4.4Å; V210-I221 HydrophobicContact CG2-CG1 4.29Å
211K61.1Low53.1Low142 Ų142120 Ų12062%0.61761%0.612SS**EExtended strand (participates in β ladder)trans-90.294.7170.7-165.3170.8-173.8176.60108.6F209 T213 I220F209-K211 HydrophobicContact CD2-CB 4.47Å; F209-K211 HydrophobicContact CE2-CB 4.38Å; K211-T213 PolarHBondContact O-N 3Å; K211-I220 PolarHBondContact N-O 3.42Å; K211-I220 PolarHBondContact O-N 2.85Å
212Q55.5Low54.3Low155 Ų155115.5 Ų115.572%0.72458%0.583SS**EExtended strand (participates in β ladder)trans-60.3127.1173.8-166.1174.61800109.3V210 L219V210-Q212 PolarHBondContact O-N 2.78Å; Q212-L219 HydrophobicContact CG-CD2 4.31Å
213T55.9Low55.3Low51 Ų51116.3 Ų116.331%0.31357%0.57SS.*  trans-99.1176.2173.574.60000110K211 D215 L218 I220K211-T213 PolarHBondContact O-N 3Å; T213-D215 PolarHBondContact O-N 3.41Å; T213-D215 PolarHBondContact OG1-O 3.38Å; T213-L218 PolarHBondContact OG1-O 3.23Å; T213-I220 HydrophobicContact CG2-CD1 3.89Å; T213-I220 HydrophobicContact CG2-CG1 4.18Å
214R56.3Low56.3Low264 Ų264114 Ų114100%0.99655%0.549SS*.SBendtrans-72.8-8.6179.2-79.9-177.2173.2160-3.2114.4
215D58.8Low56.3Low46 Ų46115 Ų11525%0.24655%0.547CS..SBendtrans-100.9119.9167.3-170.4-38000108.6T213 R217 L218T213-D215 PolarHBondContact O-N 3.41Å; T213-D215 PolarHBondContact OG1-O 3.38Å; D215-R217 PolarHBondContact O-N 2.75Å; D215-R217 VanDerWaalsContact O-N 3.09Å; D215-R217 VanDerWaalsContact OD1-CB 3.27Å; D215-R217 WeakPolarHBondContact OD1-CB 3.39Å; D215-R217 IonicContact OD1-CZ 2.8Å; D215-R217 PolarHBondContact OD1-N 3.39Å; D215-R217 IonicContact OD1-NE 2.76Å; D215-R217 PolarHBondContact OD1-NE 2.7Å; D215-R217 IonicContact OD1-NH2 3.53Å; D215-R217 IonicContact OD2-CZ 3.79Å; D215-R217 IonicContact OD2-NE 2.99Å; D215-R217 PolarHBondContact OD2-NE 2.82Å; D215-R217 IonicContact OD2-NH2 3.71Å; D215-R217 PolarHBondContact OD2-NH2 3.43Å; D215-L218 HydrophobicContact CB-CB 4.41Å; D215-L218 HydrophobicContact CB-CD1 4.25Å; D215-L218 HydrophobicContact CB-CG 4.38Å; D215-L218 PolarHBondContact O-N 3.31Å
216P57.6Low56Low107 Ų107112.2 Ų112.270%0.69555%0.545SS*.THydrogen-bonded Turntrans-63.5-14.7-178.926.6-34.9000113.7L218P216-L218 VanDerWaalsContact C-N 3.34Å
217R57.1Low55.5Low203 Ų203116.3 Ų116.377%0.76657%0.569SS**THydrogen-bonded Turntrans-85.9-3.8176.8-56.4167.5-64.7-175.74.8113.2D215D215-R217 PolarHBondContact O-N 2.75Å; D215-R217 VanDerWaalsContact O-N 3.09Å; D215-R217 VanDerWaalsContact OD1-CB 3.27Å; D215-R217 WeakPolarHBondContact OD1-CB 3.39Å; D215-R217 IonicContact OD1-CZ 2.8Å; D215-R217 PolarHBondContact OD1-N 3.39Å; D215-R217 IonicContact OD1-NE 2.76Å; D215-R217 PolarHBondContact OD1-NE 2.7Å; D215-R217 IonicContact OD1-NH2 3.53Å; D215-R217 IonicContact OD2-CZ 3.79Å; D215-R217 IonicContact OD2-NE 2.99Å; D215-R217 PolarHBondContact OD2-NE 2.82Å; D215-R217 IonicContact OD2-NH2 3.71Å; D215-R217 PolarHBondContact OD2-NH2 3.43Å
218L50.1Low54.2Low104 Ų104116.1 Ų116.155%0.54558%0.582SS.*  trans-123.182.9-176.2-65.6178.4000111.8T213 D215 P216T213-L218 PolarHBondContact OG1-O 3.23Å; D215-L218 HydrophobicContact CB-CB 4.41Å; D215-L218 HydrophobicContact CB-CD1 4.25Å; D215-L218 HydrophobicContact CB-CG 4.38Å; D215-L218 PolarHBondContact O-N 3.31Å; P216-L218 VanDerWaalsContact C-N 3.34Å
219L62.5Low52.5Low102 Ų102115.9 Ų115.953%0.53459%0.594SS.*EExtended strand (participates in β ladder)trans-89118.7169.7-61.1-177.4000110.5V210 Q212V210-L219 HydrophobicContact CG1-CB 4.08Å; V210-L219 HydrophobicContact CG1-CD1 4.43Å; V210-L219 HydrophobicContact CG1-CD2 4.01Å; V210-L219 HydrophobicContact CG1-CG 4.4Å; Q212-L219 HydrophobicContact CG-CD2 4.31Å
220I60.2Low50.7Low106 Ų106120.3 Ų120.354%0.54461%0.614SS.*EExtended strand (participates in β ladder)trans-97.6109.2175.7-58.2177.3000108.7K211 T213K211-I220 PolarHBondContact N-O 3.42Å; K211-I220 PolarHBondContact O-N 2.85Å; T213-I220 HydrophobicContact CG2-CD1 3.89Å; T213-I220 HydrophobicContact CG2-CG1 4.18Å
221I68.1Low49Very low110 Ų110120.2 Ų120.256%0.56462%0.622SS**EExtended strand (participates in β ladder)trans-94.1117.4179.2-51.3-175.3000109.7F208 F209 V210F208-I221 HydrophobicContact CB-CG2 4.26Å; F208-I221 HydrophobicContact CD1-CG2 3.96Å; F209-I221 WeakPolarHBondContact O-CA 3.39Å; V210-I221 HydrophobicContact CG2-CG1 4.29Å
222G55.4Low47.4Very low17 Ų17122.7 Ų122.718%0.17564%0.636CS.*EExtended strand (participates in β ladder)trans-103129.8179.100000112.5F208 F209F208-G222 WeakPolarHBondContact CA-O 3.23Å; F209-G222 PolarHBondContact N-O 2.97Å; F209-G222 PolarHBondContact O-N 3.1Å
223R57.6Low46.1Very low153 Ų153119.6 Ų119.658%0.57763%0.631SS**EExtended strand (participates in β ladder)trans-97.9115.2168.6-175.2176.6174.8164.52.8109.8F208F208-R223 HydrophobicContact CD1-CB 3.87Å; F208-R223 HydrophobicContact CD1-CG 4.31Å; F208-R223 HydrophobicContact CE1-CB 3.69Å; F208-R223 HydrophobicContact CE1-CG 3.91Å; F208-R223 HydrophobicContact CZ-CG 4.27Å
224K55.5Low45Very low91 Ų91126.9 Ų126.940%0.39666%0.658SS.*  trans-81.5131.6170.253.9-173.8-179.6-173.40109.8E207E207-K224 WeakPolarHBondContact O-CE 3.43Å; E207-K224 WeakPolarHBondContact O-CG 3.23Å; E207-K224 IonicContact OE1-NZ 2.7Å; E207-K224 PolarHBondContact OE1-NZ 3.19Å; E207-K224 VanDerWaalsContact OE2-CE 3.26Å; E207-K224 WeakPolarHBondContact OE2-CE 3.26Å; E207-K224 IonicContact OE2-NZ 3.61Å; E207-K224 PolarHBondContact OE2-NZ 3.48Å
225N34.8Very low43.7Very low126 Ų126118.5 Ų118.567%0.67465%0.645SS**  trans-95.9120.1171.5-76-23.6000108.7T227N225-T227 VanDerWaalsContact C-N 3.3Å; N225-T227 PolarHBondContact O-N 2.95Å
226S35Very low42.4Very low104 Ų104121.2 Ų121.273%0.72767%0.668SS**  trans-72.179.2179.9-54.10000111.8S228S226-S228 PolarHBondContact O-N 3.12Å; S226-S228 VanDerWaalsContact O-N 3.11Å
227T32.4Very low41.1Very low128 Ų128125.6 Ų125.679%0.78568%0.676SS**  trans-70.998.9164.548.10000109N225 S229N225-T227 VanDerWaalsContact C-N 3.3Å; N225-T227 PolarHBondContact O-N 2.95Å; T227-S229 PolarHBondContact O-N 2.82Å
228S28.6Very low39.6Very low120 Ų120120.9 Ų120.984%0.83967%0.674SS**  trans-58.8104.7169.353.60000109.5S226 F230S226-S228 PolarHBondContact O-N 3.12Å; S226-S228 VanDerWaalsContact O-N 3.11Å; S228-F230 PolarHBondContact O-N 3.06Å
229S28.9Very low38.6Very low111 Ų111123.3 Ų123.378%0.77669%0.686SS**PPolyproline II helixtrans-65.1129.1179.7500000110.7T227T227-S229 PolarHBondContact O-N 2.82Å
230F27.3Very low37.1Very low204 Ų204123.9 Ų123.990%0.89570%0.699SS**PPolyproline II helixtrans-56.9140.4159.9-177.4-93.8000109S228S228-F230 PolarHBondContact O-N 3.06Å
231A29.8Very low35.5Very low81 Ų81122.5 Ų122.567%0.66971%0.71SS**PPolyproline II helixtrans-82.7136.2-168.800000112.7
232E28.1Very low33.6Very low194 Ų194124.2 Ų124.291%0.90772%0.721SS**  trans-135.9162.7151.6-165.6133.4-133.700108.6
233S29.2Very low32.9Very low90 Ų90128.8 Ų128.863%0.62975%0.747SS**  trans-140.1159.9-153.668.10000114.9
234K31Very low31.6Very low204 Ų204127.9 Ų127.989%0.88775%0.753SS**  trans76.5146.2-178.6-45.9160.7-172.51730111.8
235A31Very low30.4Very low87 Ų87130.9 Ų130.972%0.71977%0.768SS**  cis-151156.31700000114.9
236S29.9Very low30.1Very low103 Ų103131 Ų13172%0.7277%0.774SS**  trans34.2116.1144.958.60000123.9
237K30.4Very low29.9Very low199 Ų199129.3 Ų129.387%0.86577%0.767SS**  54153.3123.7-77.8-173.7172.8-177.10122.9
238S26.8Very low29.9Very low104 Ų104131.5 Ų131.573%0.72777%0.77SS**  trans75.8125.7168-11.40000114
239I29.3Very low30.1Very low155 Ų155134.3 Ų134.380%0.79577%0.77SS**  cis89.611139.8-64.6168.2000112.6
240S29.1Very low30.2Very low115 Ų115135.5 Ų135.580%0.80477%0.768SS**  trans49.9138.1158.367.30000121.6
241G28.3Very low30.5Very low76 Ų76130.9 Ų130.978%0.78476%0.761SS**  trans124.5100.7145.500000116.1
242D27.5Very low30.6Very low147 Ų147130.4 Ų130.479%0.78676%0.764SS**  trans-91.9130.2136.5178.734.4000105.2L244D242-L244 PolarHBondContact OD1-N 3.45Å
243P40.7Very low30.8Very low112 Ų112128.3 Ų128.373%0.72776%0.758SS**  -145.5134.999.135.5-18.3000115.7
244L30.5Very low31.2Very low134 Ų134131.4 Ų131.470%0.70276%0.763SS**  60.9137125-136.583000122.7D242D242-L244 PolarHBondContact OD1-N 3.45Å
245E29.6Very low31.5Very low154 Ų154131.2 Ų131.272%0.7276%0.758SS**  trans75.8134.1141.2-103.5-173.1162.600124
246T28.5Very low31.5Very low128 Ų128130.4 Ų130.479%0.78576%0.758SS**  trans66.9145.215258.30000119.9
247A31.4Very low31.6Very low70 Ų70135.9 Ų135.958%0.57976%0.763SS**  cis-167.9168.8-17.600000109.8
248M31.9Very low31.6Very low174 Ų174132.9 Ų132.986%0.85776%0.756SS**  trans66.7143.6145.7-79.8152.9175.300117.4
249E32.8Very low31.8Very low178 Ų178131.2 Ų131.283%0.83276%0.756SS**  cis-130.4-168-3.5-56.3-171117.500107.4
250D30.7Very low31.9Very low137 Ų137131 Ų13173%0.73375%0.752SS**  cis-163.915724.2178.424.1000110.5
251S33.9Very low32.1Very low107 Ų107133.1 Ų133.175%0.74875%0.746SS**  trans36.9142.4159.6-65.90000123.4
252G32Very low32.1Very low71 Ų71140.6 Ų140.673%0.73275%0.751SS**  cis134.999.8-15.300000117.4
253D32Very low32.3Very low149 Ų149139.9 Ų139.980%0.79775%0.751SS**  trans-161.7117.6151.338.911.8000109.6
254E38Very low32Very low155 Ų155141.1 Ų141.172%0.72476%0.757SS**  67.8118.986.2-77-162.4142.200114
255Y36.6Very low31.9Very low201 Ų201138 Ų13879%0.78876%0.757SS**  cis-132.9179.24.1-90.6-92.3000109.8
256G31.5Very low31.8Very low69 Ų69136.6 Ų136.671%0.71176%0.764SS**  cis115.6139.813.200000111.3
257R31.3Very low31.9Very low218 Ų218136.9 Ų136.982%0.82376%0.761SS**  cis-160.2174.9-0.9-149.2-173.2-172.4-126.313.3111.3
258D31.2Very low32.1Very low136 Ų136140.7 Ų140.773%0.72778%0.777SS**  trans70.1132.5165.2-50.2-29.5000118.3
259G30.8Very low32Very low70 Ų70138.2 Ų138.272%0.72277%0.772SS**  cis-176.7164-7.700000116.1
260E31.3Very low31.9Very low151 Ų151135.6 Ų135.671%0.70677%0.773SS**  trans70.9107.9155.8-61-96.287.200122.7
261K33.8Very low32.2Very low158 Ų158135.1 Ų135.169%0.68778%0.778SS**  69.198.8129.6-66.3168.7-179.7144.60123.7
262R28.8Very low32.2Very low234 Ų234136.2 Ų136.288%0.88378%0.78SS**  57.7126.4117.4-72-169.6178.4-146.60.2123.4
263V30.5Very low32.3Very low131 Ų131143.9 Ų143.979%0.79479%0.787SS**  63.1128.7127.7179.90000117.7
264T34.1Very low32.5Very low138 Ų138148.5 Ų148.585%0.84779%0.793SS**  cis-124.1176.421.351.50000112.4
265G28.7Very low32.4Very low68 Ų68146.7 Ų146.770%0.70180%0.795SS**  cis165.2149.9-11.600000113.3
266S28.4Very low32.6Very low125 Ų125149 Ų14987%0.87480%0.803SS**  trans70.9133174.1-156.20000119.4
267D29.9Very low32.6Very low135 Ų135158 Ų15872%0.72282%0.815SS**  trans-79.5158.6-174.1-51.8-92.2000115.5
268T35.1Very low32.5Very low150 Ų150152.3 Ų152.392%0.9282%0.815SS**  -156.4125.2122.210.90000109.7
269T31Very low32.5Very low122 Ų122150.7 Ų150.775%0.74882%0.82SS**  trans-101130.3-173.343.60000112.1
270S29.9Very low32.7Very low122 Ų122159.4 Ų159.485%0.85383%0.831SS**  trans-161.187.6171.3-83.70000113.2
271P37.9Very low32.6Very low128 Ų128157 Ų15783%0.83184%0.837SS**  trans-91.8131.8171.433.6-29.8000112
272T33.1Very low32.5Very low129 Ų129155 Ų15579%0.79184%0.843SS**  trans-94.5149.3179.434.40000113.7
273R35.1Very low32.9Very low232 Ų232151.9 Ų151.988%0.87584%0.842SS**  trans51.6108.7150.7-66.4173.3167.2-161-2.2119.4
274R34.8Very low32.9Very low246 Ų246151.1 Ų151.193%0.92884%0.843SS**  trans165174.1133.8-96.9163.9178.1-173.10.7110.8
275P37.7Very low32.9Very low118 Ų118155 Ų15577%0.76685%0.848SS**  cis-124.6-177.8-7.827.6-6000114.3
276R40.1Very low33.3Very low250 Ų250156.4 Ų156.494%0.94385%0.853SS**  trans-99.5134.1157-77.7179.7166.5125.9-4.6109.6
277R31Very low33.8Very low257 Ų257154.6 Ų154.697%0.9785%0.854SS**  trans-151.7168.2153.1-133.8-176.9-179.5-159.8-0.9112.5
278A29.5Very low34.1Very low99 Ų99156.2 Ų156.282%0.81886%0.861SS**  trans-80.7151.4-160.900000115.3
279A31.5Very low34.3Very low102 Ų102159.4 Ų159.484%0.84386%0.856SS**  trans-140.494.8161.700000109.9
280R33.8Very low34.7Very low252 Ų252159.7 Ų159.795%0.95185%0.853SS**  trans-15675170.7-93.7-160.4172.9-151.7-1.6110.6
281A30.9Very low35.1Very low101 Ų101161.5 Ų161.584%0.83585%0.852SS**  trans17684.6156.400000112.1
282S31.9Very low35.3Very low116 Ų116161.3 Ų161.381%0.81185%0.851SS**  trans-174.461.1164.158.60000113.7
283I36.2Very low35.6Very low169 Ų169162.8 Ų162.887%0.86785%0.852SS**  trans-139.289.8166.2-42.8175.5000108.7
284S30.8Very low35.9Very low114 Ų114160.2 Ų160.280%0.79785%0.85SS**  trans-156.954.3-176.7-61.60000112.3
285F34.8Very low36.5Very low221 Ų221158 Ų15897%0.96985%0.847SS**  trans-145.967.6170.3-112.7-75.8000111.9
286A36.4Very low36.6Very low97 Ų97158.4 Ų158.480%0.80285%0.85SS**  trans-150.7105164.400000107.4I288A286-I288 PolarHBondContact O-N 3.31Å
287G38Very low36.5Very low86 Ų86149.9 Ų149.989%0.88784%0.84SS**  trans-82.2113-166.800000113.7
288I36.8Very low37.4Very low169 Ų169147.4 Ų147.487%0.86784%0.839SS**  trans-130.5138.1163.9-57.4-179.4000107.6A286A286-I288 PolarHBondContact O-N 3.31Å
289R39.6Very low38.2Very low217 Ų217147.1 Ų147.182%0.81984%0.837SS**  trans-94148.5-167.9-75.7-164-176.1-151.46.6114.8
290D39.1Very low39.3Very low129 Ų129151.2 Ų151.269%0.6984%0.838SS**  trans46.692.7141.4-53.2-33.4000119.7
291L38.2Very low40.1Very low160 Ų160149.7 Ų149.784%0.83883%0.833SS**  trans-138.5132.7145.3-77.4-177.8000111.3I293L291-I293 PolarHBondContact O-N 3.34Å
292P41.7Very low41.6Very low123 Ų123150 Ų15080%0.79982%0.818SS**  trans-86.896.4-173.733.1-34.6000113Q294P292-Q294 PolarHBondContact O-N 2.97Å; P292-Q294 VanDerWaalsContact O-N 3.15Å
293I39.2Very low43.5Very low161 Ų161148.3 Ų148.383%0.82680%0.803SS**  trans-74.3103.2175.2-56.2178.1000110.4L291L291-I293 PolarHBondContact O-N 3.34Å
294Q41.9Very low44.9Very low178 Ų178150 Ų15083%0.83280%0.798SS**PPolyproline II helixtrans-68135.6167.6-69.1-169.19.400110.8P292 P296P292-Q294 PolarHBondContact O-N 2.97Å; P292-Q294 VanDerWaalsContact O-N 3.15Å; Q294-P296 WeakPolarHBondContact O-CD 3.25Å
295K47.3Very low46.4Very low199 Ų199150.1 Ų150.187%0.86579%0.79SS**PPolyproline II helixtrans-78.2118174.2-63.5176.5-177.5174.90109.9
296P40.4Very low48.3Very low127 Ų127143.8 Ų143.883%0.82576%0.763SS**PPolyproline II helixtrans-64.9136.1166.627.8-32.9000109.7Q294Q294-P296 WeakPolarHBondContact O-CD 3.25Å
297G37.5Very low49.9Very low70 Ų70145.2 Ų145.272%0.72275%0.748SS**PPolyproline II helixtrans-67.4160.9-173.100000114.4A299G297-A299 PolarHBondContact O-N 2.98Å
298Q50.3Low51.2Low205 Ų205149.3 Ų149.396%0.95874%0.737SS**  trans-64.193.9177.8-75.5-174.3-24.200112.5Q300Q298-Q300 PolarHBondContact O-N 2.99Å
299A45.1Very low52.5Low94 Ų94148.1 Ų148.178%0.77773%0.725SS**  trans-70.3109.9162.900000109.6G297 R301G297-A299 PolarHBondContact O-N 2.98Å; A299-R301 PolarHBondContact O-N 2.84Å
300Q56.3Low53.8Low187 Ų187141.4 Ų141.487%0.87471%0.711SS**  trans-61.4103.9-176.4-167.4179.31900111.1Q298 M302Q298-Q300 PolarHBondContact O-N 2.99Å; Q300-M302 PolarHBondContact O-N 3.38Å
301R49.2Very low54.6Low220 Ų220141.6 Ų141.683%0.8371%0.709SS**  trans-71.290.9-168-164.4-179.3-167.1-138.98.7111.8A299 T303A299-R301 PolarHBondContact O-N 2.84Å; R301-T303 PolarHBondContact O-N 2.93Å
302M62.1Low55.4Low108 Ų108137.7 Ų137.753%0.53270%0.696SS.*  trans-40.9124.9178.4-73.1-73.2-89.600112.8Q300 Q306 R307Q300-M302 PolarHBondContact O-N 3.38Å; M302-Q306 HydrophobicContact CE-CB 4.06Å; M302-Q306 HydrophobicContact CE-CG 4.24Å; M302-Q306 PolarHBondContact SD-NE2 3.26Å; M302-Q306 VanDerWaalsContact SD-NE2 3.45Å; M302-R307 PolarHBondContact O-NE 3.41Å; M302-R307 PolarHBondContact O-NH2 3.24Å
303T73.8Confident55.9Low80 Ų80137.5 Ų137.549%0.49169%0.687SS.*  trans-66156.7-167.662.70000112.9R301 L305 Q306 R307R301-T303 PolarHBondContact O-N 2.93Å; T303-L305 PolarHBondContact O-N 3.1Å; T303-L305 VanDerWaalsContact O-N 3.09Å; T303-Q306 PolarHBondContact O-N 3.2Å; T303-Q306 PolarHBondContact OG1-N 3.41Å; T303-Q306 PolarHBondContact OG1-OE1 2.68Å; T303-R307 PolarHBondContact O-N 3.02Å; T303-R307 VanDerWaalsContact O-N 3.08Å
304R65.2Low56.4Low204 Ų204133 Ų13377%0.7768%0.675SS**Hα-helixtrans-53.8-32.5178.8-166.7-179.2-174.6-161.94.5112.7R308R304-R308 PolarHBondContact O-N 3.32Å
305L62.6Low56.8Low117 Ų117127.3 Ų127.361%0.61366%0.658SS**Hα-helixtrans-74.1-40.9177.1-174.361.2000112.8T303 R308 K309T303-L305 PolarHBondContact O-N 3.1Å; T303-L305 VanDerWaalsContact O-N 3.09Å; L305-R308 PolarHBondContact O-N 3.29Å; L305-K309 PolarHBondContact O-N 3.31Å
306Q72.8Confident57Low89 Ų89122.7 Ų122.742%0.41665%0.646SS.*Hα-helixtrans-62.2-44.2174-84.5163.8-52.700111.7M302 T303 R308 K309 S310M302-Q306 HydrophobicContact CE-CB 4.06Å; M302-Q306 HydrophobicContact CE-CG 4.24Å; M302-Q306 PolarHBondContact SD-NE2 3.26Å; M302-Q306 VanDerWaalsContact SD-NE2 3.45Å; T303-Q306 PolarHBondContact O-N 3.2Å; T303-Q306 PolarHBondContact OG1-N 3.41Å; T303-Q306 PolarHBondContact OG1-OE1 2.68Å; Q306-R308 PolarHBondContact O-N 2.85Å; Q306-K309 PolarHBondContact O-N 3.09Å; Q306-K309 VanDerWaalsContact O-N 3.15Å; Q306-S310 PolarHBondContact O-N 3.26Å; Q306-S310 PolarHBondContact O-OG 2.88Å
307R70.8Confident57.4Low127 Ų127123.6 Ų123.648%0.47964%0.639SS.*Hα-helixtrans-60.7-42.1176.8-60.8-175.7-163.2-149.4-0.2112.3M302 T303 K309 S310 M311M302-R307 PolarHBondContact O-NE 3.41Å; M302-R307 PolarHBondContact O-NH2 3.24Å; T303-R307 PolarHBondContact O-N 3.02Å; T303-R307 VanDerWaalsContact O-N 3.08Å; R307-K309 PolarHBondContact O-N 2.94Å; R307-S310 PolarHBondContact O-N 2.84Å; R307-S310 PolarHBondContact O-OG 3.14Å; R307-S310 VanDerWaalsContact O-OG 3.1Å; R307-M311 WeakPolarHBondContact O-CB 3.45Å; R307-M311 VanDerWaalsContact O-CG 3.3Å; R307-M311 WeakPolarHBondContact O-CG 3.47Å; R307-M311 PolarHBondContact O-N 3.11Å; R307-M311 VanDerWaalsContact O-N 3.08Å
308R66.3Low57.7Low172 Ų172124.3 Ų124.365%0.64963%0.633SS**Hα-helixtrans-62.8-39.1174.1-84.7-174.3162.1-173.2-6.4112.5R304 L305 Q306 S312R304-R308 PolarHBondContact O-N 3.32Å; L305-R308 PolarHBondContact O-N 3.29Å; Q306-R308 PolarHBondContact O-N 2.85Å; R308-S312 WeakPolarHBondContact O-CB 3.41Å; R308-S312 PolarHBondContact O-N 3.37Å; R308-S312 VanDerWaalsContact O-N 3.08Å
309K64.1Low57.6Low144 Ų144120.3 Ų120.363%0.62662%0.622SS**Hα-helixtrans-67-42.2177.1-76.3-172.9173.9-172.90113.1L305 Q306 R307 S312 L313L305-K309 PolarHBondContact O-N 3.31Å; Q306-K309 PolarHBondContact O-N 3.09Å; Q306-K309 VanDerWaalsContact O-N 3.15Å; R307-K309 PolarHBondContact O-N 2.94Å; K309-S312 PolarHBondContact O-N 3.28Å; K309-L313 PolarHBondContact O-N 3.1Å
310S64.9Low57.7Low75 Ų75126.9 Ų126.952%0.52463%0.627SS.*Hα-helixtrans-68.4-43.2177.656.80000112.5Q306 R307 S312 L313 A314Q306-S310 PolarHBondContact O-N 3.26Å; Q306-S310 PolarHBondContact O-OG 2.88Å; R307-S310 PolarHBondContact O-N 2.84Å; R307-S310 PolarHBondContact O-OG 3.14Å; R307-S310 VanDerWaalsContact O-OG 3.1Å; S310-S312 VanDerWaalsContact C-N 3.3Å; S310-S312 PolarHBondContact O-N 3.39Å; S310-L313 PolarHBondContact O-N 3.29Å; S310-A314 PolarHBondContact O-N 3.37Å
311M56.1Low57.1Low133 Ų133122.8 Ų122.866%0.65562%0.619SS**Hα-helixtrans-59.7-39.1174.6-71.5173.467.600112.5R307 L313 A314 A315R307-M311 WeakPolarHBondContact O-CB 3.45Å; R307-M311 VanDerWaalsContact O-CG 3.3Å; R307-M311 WeakPolarHBondContact O-CG 3.47Å; R307-M311 PolarHBondContact O-N 3.11Å; R307-M311 VanDerWaalsContact O-N 3.08Å; M311-L313 VanDerWaalsContact C-N 3.27Å; M311-L313 PolarHBondContact O-N 3.05Å; M311-A314 PolarHBondContact O-N 3.41Å; M311-A315 PolarHBondContact O-N 2.89Å; M311-A315 VanDerWaalsContact O-N 3.09Å
312S56.2Low56.8Low78 Ų78117.3 Ų117.355%0.54561%0.614SS.*Hα-helixtrans-68.9-22.4-178.3-165.60000113.9R308 K309 S310 V316R308-S312 WeakPolarHBondContact O-CB 3.41Å; R308-S312 PolarHBondContact O-N 3.37Å; R308-S312 VanDerWaalsContact O-N 3.08Å; K309-S312 PolarHBondContact O-N 3.28Å; S310-S312 VanDerWaalsContact C-N 3.3Å; S310-S312 PolarHBondContact O-N 3.39Å; S312-V316 WeakPolarHBondContact O-CG2 3.31Å
313L51.7Low56Low120 Ų120118.3 Ų118.363%0.62863%0.626SS**Hα-helixtrans-76.8-45.7171.3-75.2166.8000111K309 S310 M311 A315 V316 H317K309-L313 PolarHBondContact O-N 3.1Å; S310-L313 PolarHBondContact O-N 3.29Å; M311-L313 VanDerWaalsContact C-N 3.27Å; M311-L313 PolarHBondContact O-N 3.05Å; L313-A315 VanDerWaalsContact C-N 3.29Å; L313-A315 PolarHBondContact O-N 3.1Å; L313-V316 PolarHBondContact O-N 2.85Å; L313-H317 PolarHBondContact O-CD2 3.07Å
314A50.1Low54Low67 Ų67119.8 Ų119.855%0.55464%0.64SS**Hα-helixtrans-58.4-39.5178.100000112.6S310 M311 V316 H317 S318S310-A314 PolarHBondContact O-N 3.37Å; M311-A314 PolarHBondContact O-N 3.41Å; A314-V316 VanDerWaalsContact C-N 3.34Å; A314-V316 PolarHBondContact O-N 3.4Å; A314-H317 PolarHBondContact O-N 3.49Å; A314-S318 PolarHBondContact O-N 3.16Å
315A50.8Low53Low58 Ų58115.9 Ų115.948%0.47964%0.641SS.*Hα-helixtrans-59.8-39.3177.900000113.3M311 L313 H317 S318M311-A315 PolarHBondContact O-N 2.89Å; M311-A315 VanDerWaalsContact O-N 3.09Å; L313-A315 VanDerWaalsContact C-N 3.29Å; L313-A315 PolarHBondContact O-N 3.1Å; A315-H317 VanDerWaalsContact C-N 3.34Å; A315-H317 PolarHBondContact O-N 2.93Å; A315-S318 PolarHBondContact O-N 3.31Å
316V50.8Low51.8Low102 Ų102116.1 Ų116.162%0.61865%0.647SS**Hα-helixtrans-69.8-30.5-177.7174.30000112.1S312 L313 A314S312-V316 WeakPolarHBondContact O-CG2 3.31Å; L313-V316 PolarHBondContact O-N 2.85Å; A314-V316 VanDerWaalsContact C-N 3.34Å; A314-V316 PolarHBondContact O-N 3.4Å
317H47.9Very low50.3Low145 Ų145122 Ų12267%0.67167%0.671SS**Hα-helixtrans-75.7-26.1174.3-73.1-79.8000113.3L313 A314 A315L313-H317 PolarHBondContact O-CD2 3.07Å; A314-H317 PolarHBondContact O-N 3.49Å; A315-H317 VanDerWaalsContact C-N 3.34Å; A315-H317 PolarHBondContact O-N 2.93Å
318S44.4Very low49.1Very low86 Ų86123.2 Ų123.260%0.60168%0.684SS**Hα-helixtrans-68.3-40.1-178.3-168.60000113.2A314 A315 R320 S321A314-S318 PolarHBondContact O-N 3.16Å; A315-S318 PolarHBondContact O-N 3.31Å; S318-R320 PolarHBondContact O-N 2.89Å; S318-R320 VanDerWaalsContact O-N 3.1Å; S318-S321 PolarHBondContact O-N 3.4Å
319V48.7Very low47.8Very low121 Ų121120.8 Ų120.873%0.73369%0.689SS**THydrogen-bonded Turntrans-69.5-10.5-174-171.70000113.4
320R47Very low46.8Very low232 Ų232119.9 Ų119.988%0.87570%0.698SS**THydrogen-bonded Turntrans-93.10.5179.2-102-178.4173.9178.4-2.6115.4S318S318-R320 PolarHBondContact O-N 2.89Å; S318-R320 VanDerWaalsContact O-N 3.1Å
321S44.2Very low45.7Very low101 Ų101122.5 Ų122.571%0.70671%0.71SS**SBendtrans-114.41.5-166.7-56.40000115.6S318S318-S321 PolarHBondContact O-N 3.4Å
322S43Very low44.9Very low105 Ų105122 Ų12273%0.73472%0.717SS**  trans-102.733.3-168.873.60000115.8
323T44.4Very low43.9Very low128 Ų128129.6 Ų129.679%0.78573%0.734SS**  trans-131.198.3172.656.90000111.8
324S32.9Very low43.1Very low112 Ų112129.2 Ų129.278%0.78374%0.741SS**  trans-76.7138.6170.5-172.50000110.6V326S324-V326 PolarHBondContact O-N 3.11Å
325P43.2Very low42.7Very low122 Ų122133.7 Ų133.779%0.79275%0.751SS**  trans-80.8108.4-172.930.9-34.6000112.8K327P325-K327 PolarHBondContact O-N 3.38Å
326V37.6Very low41.9Very low122 Ų122136.3 Ų136.374%0.73976%0.762SS**  trans-76.4117.4167.9-178.90000109.6S324 M328S324-V326 PolarHBondContact O-N 3.11Å; V326-M328 HydrophobicContact CG1-CG 4.18Å; V326-M328 HydrophobicContact CG1-SD 4.15Å; V326-M328 PolarHBondContact O-N 3.05Å; V326-M328 VanDerWaalsContact O-N 3.14Å
327K40.9Very low41.2Very low211 Ų211138.7 Ų138.792%0.91777%0.77SS**  trans-71.5100.8167.5-83.2-171.9174.4-177.30109.8P325P325-K327 PolarHBondContact O-N 3.38Å
328M45.1Very low40.6Very low153 Ų153139 Ų13975%0.75478%0.777SS**  trans-94.8128.3160.4-66.5-58.4-63.500109.5V326V326-M328 HydrophobicContact CG1-CG 4.18Å; V326-M328 HydrophobicContact CG1-SD 4.15Å; V326-M328 PolarHBondContact O-N 3.05Å; V326-M328 VanDerWaalsContact O-N 3.14Å
329T39.4Very low40.4Very low122 Ų122143.6 Ų143.675%0.74879%0.786SS**  trans-68.1140.3166.1340000109.9V331T329-V331 PolarHBondContact O-N 2.96Å
330P43.8Very low40.1Very low124 Ų124143.9 Ų143.981%0.80579%0.79SS**  trans-73.6115.1-176.228.3-33.6000111.2
331V41.7Very low39.8Very low130 Ų130138.9 Ų138.979%0.78879%0.788SS**  trans-69.3128.3163.6178.40000108.1T329 R333T329-V331 PolarHBondContact O-N 2.96Å; V331-R333 PolarHBondContact O-N 3.25Å; V331-R333 VanDerWaalsContact O-N 3.1Å
332P38.9Very low39.5Very low122 Ų122140.2 Ų140.279%0.79280%0.797SS**  trans-67.3111.2-179.526.4-33.6000110.7S334P332-S334 PolarHBondContact O-N 3.13Å
333R34.7Very low39.4Very low239 Ų239138.1 Ų138.190%0.90279%0.792SS**PPolyproline II helixtrans-80.6116.5176.3-173.8174.7-176160.91.4109.7V331V331-R333 PolarHBondContact O-N 3.25Å; V331-R333 VanDerWaalsContact O-N 3.1Å
334S35.6Very low39.1Very low112 Ų112138.4 Ų138.478%0.78380%0.796SS**PPolyproline II helixtrans-63.3141.5175.841.40000112.2P332P332-S334 PolarHBondContact O-N 3.13Å
335Q40.8Very low39.3Very low161 Ų161139.6 Ų139.675%0.75280%0.799SS**PPolyproline II helixtrans-77.3148.1174.4-69.9-76.70.100110.7I337Q335-I337 PolarHBondContact O-N 3.45Å; Q335-I337 VanDerWaalsContact O-N 3.11Å
336P36Very low38.8Very low112 Ų112142.2 Ų142.273%0.72780%0.8SS**  trans-76.296.6175.231-33.1000111N338P336-N338 PolarHBondContact O-N 3.48Å
337I35.7Very low38.7Very low152 Ų152143.9 Ų143.978%0.77980%0.803SS**  trans-81101.4176-61.8178.8000110Q335 K339Q335-I337 PolarHBondContact O-N 3.45Å; Q335-I337 VanDerWaalsContact O-N 3.11Å; I337-K339 PolarHBondContact O-N 3.24Å
338N34.2Very low38.3Very low152 Ų152139.3 Ų139.381%0.81379%0.793SS**  trans-78.797.6164.4-89.1-47000110.3P336P336-N338 PolarHBondContact O-N 3.48Å
339K40.9Very low37.9Very low183 Ų183141.4 Ų141.480%0.79680%0.798SS**  trans176.8139.3150.6-98.3151.2-172.1-178.90110.8I337I337-K339 PolarHBondContact O-N 3.24Å
340P41.6Very low37.5Very low127 Ų127142.4 Ų142.483%0.82580%0.797SS**PPolyproline II helixtrans-84.4133172.633.1-32.1000111.7
341P40.9Very low36.9Very low127 Ų127141.8 Ų141.883%0.82580%0.796SS**PPolyproline II helixtrans-91.9129.4162.633.3-28.8000110.8
342S38Very low36.7Very low128 Ų128143.7 Ų143.790%0.89580%0.796SS**PPolyproline II helixtrans-85.8127.716954.20000110.8
343G42Very low36.4Very low62 Ų62147.9 Ų147.964%0.63980%0.796SS**  trans172.6133.7171.600000112.5
344P38.4Very low36.6Very low134 Ų134143.9 Ų143.987%0.8779%0.793SS**  trans-81.8126.8-178.531.8-33000111.6
345V35.2Very low36.6Very low137 Ų137144.8 Ų144.883%0.8379%0.789SS**  trans-111.8129.3166.7-179.10000108.3
346Q33.7Very low36.8Very low177 Ų177144.3 Ų144.383%0.82779%0.79SS**  trans-76134.6-171.2-60.31777.500111.4T348Q346-T348 PolarHBondContact O-N 3.41Å
347I35Very low37Very low156 Ų156147.9 Ų147.980%0.879%0.794SS**  trans-93.591.7178.7-57.1177.2000109.6K349I347-K349 PolarHBondContact O-N 2.83Å
348T32.3Very low37.3Very low115 Ų115146.7 Ų146.771%0.70680%0.796SS**  trans-72109.4171.7-48.80000109.9Q346 I350Q346-T348 PolarHBondContact O-N 3.41Å; T348-I350 HydrophobicContact CG2-CG1 4.41Å; T348-I350 PolarHBondContact O-N 3.17Å
349K36.7Very low37.4Very low197 Ų197150.8 Ų150.886%0.85780%0.8SS**  trans-76.3113.9175.5-67179-178.9175.70110.2I347I347-K349 PolarHBondContact O-N 2.83Å
350I32.3Very low37.1Very low143 Ų143148 Ų14873%0.73380%0.801SS**  trans-121130.4164.5-64.9178.2000108T348T348-I350 HydrophobicContact CG2-CG1 4.41Å; T348-I350 PolarHBondContact O-N 3.17Å
351S30.6Very low36.7Very low112 Ų112146.6 Ų146.678%0.78380%0.8SS**  trans-115.3113.4177.4160.10000108.5
352H37.7Very low36.3Very low169 Ų169147.1 Ų147.178%0.78280%0.8SS**  trans-127.6131.1163.9-95.7-89.2000110.6
353R32.7Very low36.2Very low211 Ų211147.1 Ų147.180%0.79680%0.797SS**  trans-78.9148.2154.5-65.5177.6169.5-144.11107.6
354D37.4Very low35.7Very low155 Ų155150.4 Ų150.483%0.82981%0.811SS**  trans-143.5141.8140.1-95.6-50.4000109.1
355D36.7Very low35.3Very low131 Ų131147.5 Ų147.570%0.70181%0.805SS**  trans-122.286.9-158.5-158.6-13000110.1F357D355-F357 VanDerWaalsContact C-N 3.25Å; D355-F357 PolarHBondContact O-N 3.21Å
356I45.3Very low35Very low151 Ų151147.4 Ų147.477%0.77480%0.804SS**  trans-8457.5-168.1-42.8179.6000111.8
357F39.7Very low34.9Very low187 Ų187145.2 Ų145.282%0.8280%0.803SS**SBendtrans-159.3125.8150.9-84.2-58.3000111.5D355D355-F357 VanDerWaalsContact C-N 3.25Å; D355-F357 PolarHBondContact O-N 3.21Å
358P41.7Very low34.7Very low126 Ų126144.3 Ų144.382%0.81880%0.8SS**  trans-74.9142.5179.531.1-34.8000112.1
359R36.4Very low34.7Very low239 Ų239145 Ų14590%0.90280%0.798SS**  trans-112.5140.1163.9-89-174.2172-110.9-2.3111.1
360P35.4Very low34.4Very low123 Ų123141.7 Ų141.780%0.79979%0.79SS**  trans-68.1148.3-179.4-19.132.6000113.2
361A31.8Very low34.6Very low99 Ų99142 Ų14282%0.81879%0.788SS**  trans-81.9153.917100000112.2
362V34.2Very low34.7Very low137 Ų137141.7 Ų141.783%0.8378%0.778SS**  trans-135.9135.3166-167.80000106
363P34.6Very low34.7Very low128 Ų128140.8 Ų140.883%0.83177%0.774SS**  trans-84.6167.2-153.132.1-37.7000116.3
364S31.6Very low34.7Very low132 Ų132137.6 Ų137.692%0.92377%0.772SS**  trans-75.4150-172.9-45.40000115.5
365G30.3Very low34.5Very low73 Ų73138.5 Ų138.575%0.75377%0.768SS**  trans161.1141.7159.300000112.6
366V29.7Very low34.2Very low134 Ų134137.6 Ų137.681%0.81277%0.768SS**  cis-161.1145.4-10.696.70000109.4
367V30.6Very low33.7Very low131 Ų131137.4 Ų137.479%0.79476%0.763SS**  trans65.4150.2161.1163.20000117.8
368N30Very low33.4Very low138 Ų138135.4 Ų135.474%0.73876%0.757SS**  cis-172.7178.1-28.1-173.318.4000108.5
369I34.3Very low32.9Very low129 Ų129135.9 Ų135.966%0.66275%0.748SS**  trans113.6105.6150.2-63.4175.9000115.9
370N30.2Very low32.7Very low128 Ų128131.8 Ų131.868%0.68474%0.739SS**  trans52.2139.8145-63.3-22.3000120
371Q35.6Very low32.6Very low148 Ų148134.3 Ų134.369%0.69274%0.737SS**  cis-169.4-176.90.4-117.2172.542.400108.1
372N33.8Very low32.5Very low107 Ų107134.6 Ų134.657%0.57273%0.729SS**  cis-134.6-99.31-161.9-69000111.7
373Q35.8Very low32.5Very low150 Ų150135.1 Ų135.170%0.70173%0.727SS**  trans-157.8175.4-166.4-65.3174.392.900108.6
374L33.7Very low32.3Very low143 Ų143136.8 Ų136.875%0.74973%0.727SS**  cis-121.7158.50.8-76.983.4000108.6
375K33.7Very low32.4Very low175 Ų175139.9 Ų139.976%0.76172%0.724SS**  62.2138.652.4-86.7-169.7177.4178.30114.3
376T30.5Very low33.4Very low112 Ų112141.7 Ų141.769%0.68772%0.723SS**  cis-174.2-175.8-24.814.30000107.6
377Q33.8Very low33.6Very low146 Ų146141.1 Ų141.168%0.68272%0.719SS**  trans82.1128165.8-53.4-80.737.600114.3
378Q33.3Very low33.8Very low146 Ų146140 Ų14068%0.68271%0.713SS**  71141.362.8-67.5-160.351.500113
379Q32.7Very low33.8Very low135 Ų135139.9 Ų139.963%0.63171%0.712SS**  cis-166.2179.3-9.1-119.4-169.936.100110.1
380Q31.8Very low33.6Very low154 Ų154142.2 Ų142.272%0.7272%0.72SS**  trans72.5110149-79.3171.858.800122.9
381K31.8Very low33.7Very low176 Ų176139.6 Ų139.677%0.76572%0.716SS**  88.8144.9109.8-153.4-168-179.6-176.40121.4
382T30.2Very low33.4Very low104 Ų104140.6 Ų140.664%0.63873%0.725SS**  trans87.5106.3149.99.60000121.7
383L34.2Very low33.3Very low149 Ų149140.5 Ų140.578%0.7874%0.738SS**  trans54.2129.3130.9-100.7147.9000122.5
384I30.7Very low33.2Very low163 Ų163140.4 Ų140.484%0.83674%0.743SS**  179.3146.3121.1-91.3155.7000111.3
385F33.3Very low33.8Very low196 Ų196138.3 Ų138.386%0.8674%0.738SS**  trans-132.7174.8169.8-91.8-69.6000106.7
386P52.3Low33.7Very low112 Ų112139.1 Ų139.173%0.72775%0.745SS**  cis-116.9-157.56.621.36000110.9
387T32.6Very low33.6Very low121 Ų121136.8 Ų136.874%0.74274%0.742SS**  cis-165.2174.437.237.50000108.5
388T36.5Very low33.5Very low108 Ų108136.1 Ų136.166%0.66375%0.754SS**  cis-147.5150.84.418.60000108.8
389D28.8Very low33.5Very low135 Ų135132.5 Ų132.572%0.72276%0.756SS**  39149.8127.3-49.4-27.4000121.2
390E31.4Very low34.2Very low179 Ų179132 Ų13284%0.83676%0.764SS**  cis-170.8174.9-2.7-111.1-170.4141.100106.2
391A31.8Very low35Very low72 Ų72129.7 Ų129.760%0.59576%0.762SS**  cis-155.1137.9-23.700000109.8
392I29.8Very low35Very low170 Ų170128.1 Ų128.187%0.87276%0.758SS**  trans24.3119.9131.2-52.9160.5000118.8
393A31.3Very low35.1Very low104 Ų104133.3 Ų133.386%0.8677%0.766SS**  trans-167117.1130.500000113.3
394N32.4Very low35.1Very low149 Ų149137.5 Ų137.580%0.79777%0.771SS**  trans-151.3132.7163.4-167-2.6000105.9
395P46.8Very low35.3Very low99 Ų99135 Ų13564%0.64377%0.769SS**  -151.9163.2115.638.6-22.7000115.5
396Q30.7Very low35.3Very low192 Ų192132.8 Ų132.890%0.89777%0.77SS**  trans49.8142.3143.9-66167.3-20.300120.3
397G29Very low34.3Very low62 Ų62130.5 Ų130.564%0.63977%0.768SS**  cis159.3173.1-0.800000112
398S33.1Very low34.7Very low132 Ų132136.8 Ų136.892%0.92378%0.778SS**  trans72.3151.717283.50000119.8
399G33.1Very low35.9Very low70 Ų70137 Ų13772%0.72278%0.781SS**  trans86.7108.714300000120.9
400P46.9Very low36.9Very low124 Ų124135.3 Ų135.381%0.80578%0.777SS**  trans-95.1-168.9155.143.4-36.7000109.9
401P48.7Very low37.3Very low106 Ų106135.7 Ų135.769%0.68878%0.776SS**  cis-139.7-167.1-0.9261.6000115.4
402Q32.3Very low37.5Very low144 Ų144141.3 Ų141.367%0.67379%0.787SS**  trans99.8128.7145.8-57.3-138.531.300124
403R31.4Very low37.9Very low213 Ų213140.8 Ų140.880%0.80479%0.786SS**  trans58.4100.8136.2-66.1-174.4-171.5-149.6-0.3123.5
404R35.1Very low38.7Very low236 Ų236141.8 Ų141.889%0.89178%0.783SS**  40.4144.7116.6-60.4-173.1-173-1723.3122.3
405S33.5Very low38.9Very low112 Ų112141.9 Ų141.978%0.78378%0.78SS**  trans76.1150153.276.60000116.6
406V34.5Very low38.3Very low148 Ų148143 Ų14390%0.89779%0.786SS**  cis-150169-2.6-116.80000107.8
407G31.5Very low38.4Very low65 Ų65140.9 Ų140.967%0.6778%0.775SS**  cis151.7162.2-6.100000114.9
408R40.2Very low38.3Very low252 Ų252148.3 Ų148.395%0.95178%0.784SS**  trans81.6149.7173.2-73.4-170.6168.5-156.3-3.5120.3
409P61.1Low38.4Very low113 Ų113148.9 Ų148.973%0.73478%0.775SS**  trans-102-170.2-179.143.6-37.5000112.5
410P50.4Low38.2Very low99 Ų99152.1 Ų152.164%0.64378%0.781SS**  -161.8164.395.842.4-23.1000120.1
411K39.5Very low37.3Very low188 Ų188150.2 Ų150.282%0.81778%0.775SS**  trans69.1151.4138.6-78.8166.6-169.1171.70119.7
412K35.6Very low37.1Very low189 Ų189150 Ų15082%0.82277%0.774SS**  cis-144.6171-4.1-61-166.2-179.4175.20112.4
413L39.4Very low36.9Very low160 Ų160151.4 Ų151.484%0.83878%0.781SS**  trans-86.7164.6153.8-58.5168.1000110.9
414P48Very low36.9Very low125 Ų125147.1 Ų147.181%0.81278%0.779SS**  -138.2-173.682.814.610.2000112.8
415M36.5Very low36.7Very low150 Ų150143.9 Ų143.974%0.73977%0.774SS**  cis153.5127.1-26.1-177.5-173.310300108.2
416V34.2Very low36.6Very low124 Ų124145.5 Ų145.575%0.75278%0.779SS**  trans161.3143.9153.1148.70000107.8
417Q32Very low36.2Very low146 Ų146147.8 Ų147.868%0.68278%0.776SS**  cis118146.7-2-168.9-176.292.700114.2
418R28.2Very low37.1Very low219 Ų219149.1 Ų149.183%0.82677%0.774SS**  trans86.7144.5170.8-162.1-176.7-69.1-157.9-1.8115.9
419I33.4Very low36.6Very low143 Ų143146.6 Ų146.673%0.73377%0.773SS**  cis-170.5153.9-40-125.2159.8000111.2
420V29.6Very low35.3Very low139 Ų139146.1 Ų146.184%0.84277%0.772SS**  trans71.3160.6159162.10000120.3
421A29.2Very low35.5Very low83 Ų83146.3 Ų146.369%0.68677%0.773SS**  trans-119.7-160-176.900000109.6
422P44.3Very low35.3Very low103 Ų103144 Ų14467%0.66977%0.768SS**  cis-134.9-163.81.245.2-26000114.9
423E27.6Very low35.1Very low173 Ų173141.2 Ų141.281%0.80876%0.762SS**  trans65.2161.9162.2-69.9-180128.600117.5
424T30.1Very low34.8Very low123 Ų123138.8 Ų138.876%0.75575%0.754SS**  cis-141.8-172.45-15.40000111.9
425Q30.8Very low34.1Very low168 Ų168142 Ų14279%0.78576%0.756SS**  trans-59.5153.9-179.3-51.9163.615.700115.9
426T31.5Very low34Very low145 Ų145140.8 Ų140.889%0.8976%0.756SS**  178.5175.2112.4300000112.9
427K27.9Very low33.9Very low196 Ų196142.1 Ų142.185%0.85276%0.758SS**  trans-114.2-161.2-173.2-151.5-160.7168.3-1710110.6
428P49.8Very low33.9Very low94 Ų94141.2 Ų141.261%0.6176%0.763SS**  -109.7161.6-12240.4-25.5000115.5
429Q29.3Very low34.1Very low199 Ų199138.8 Ų138.893%0.9377%0.765SS**  trans-170.4147.3136.8-110.8161.4-21.400114.2
430S34.9Very low33.9Very low103 Ų103135.2 Ų135.272%0.7276%0.763SS**  trans-110.4179.3152.762.60000106.8
431P54.3Low34.2Very low103 Ų103137.6 Ų137.667%0.66976%0.762SS**  cis-140.4-14015.731.5-3.7000112.9
432I34.5Very low35.2Very low139 Ų139139.6 Ų139.671%0.71377%0.768SS**  trans78.4142.7160.7-65.5164.1000115.6
433N31.7Very low34.5Very low131 Ų131140.4 Ų140.470%0.70177%0.771SS**  cis-172.5169.6-23.6-95.6-11.1000106.2
434T33.7Very low34.6Very low108 Ų108137.4 Ų137.466%0.66377%0.769SS**  cis-170.3169.9-24.7380000105.9
435K33.1Very low34.7Very low194 Ų194136.8 Ų136.884%0.84377%0.77SS**  trans153.7151.1139.3-86.4172.3-172-174.80112.9
436V33.2Very low34.7Very low124 Ų124134.8 Ų134.875%0.75277%0.769SS**  cis-168.1173.3-23.3112.80000108.9
437L32.8Very low34.7Very low151 Ų151132 Ų13279%0.79176%0.761SS**  trans89.9161.7-175.3-56.3178.5000113.9
438T31.8Very low34.7Very low127 Ų127128.8 Ų128.878%0.77976%0.763SS**  cis-138.5-156.613.2-29.60000112.7
439I33Very low33.7Very low169 Ų169128.1 Ų128.187%0.86777%0.773SS**  trans-136.7149.1-168.6-67.8176.7000108.3
440G29.7Very low33.5Very low68 Ų68125.9 Ų125.970%0.70177%0.767SS**  cis-179.1-160.11.300000114.5
441K34Very low33.2Very low189 Ų189127.4 Ų127.482%0.82277%0.766SS**  trans-127.2171.5178.5-69.3-175.2177.2-179.10110.4
442P51.7Low31.9Very low124 Ų124128.9 Ų128.981%0.80577%0.768SS**  -121.5-177.689.739.5-36.7000111.4
443T29.8Very low31.6Very low121 Ų121129.4 Ų129.474%0.74277%0.772SS**  cis-114.4-156.4151.50000109.3
444S29.6Very low31.6Very low109 Ų109130.3 Ų130.376%0.76278%0.776SS**  cis-154.9178.95.358.20000111.4
445S31.6Very low31.2Very low110 Ų110129.4 Ų129.477%0.76978%0.779SS**  trans-163.6177.6173.442.70000109.3
446V30.1Very low30.9Very low126 Ų126126.7 Ų126.776%0.76477%0.772SS**  cis-164.8147.946.5169.40000111.8
447A31.7Very low30.7Very low87 Ų87130.2 Ų130.272%0.71978%0.778SS**  trans54.3151.7157.600000120.6
448S28Very low30.9Very low129 Ų129128.1 Ų128.190%0.90278%0.775SS**  cis86.3116.615.2-163.70000116.7
449G28.8Very low30.8Very low79 Ų79129.1 Ų129.181%0.81478%0.776SS**  trans157.9117.7171.600000117
450N26.2Very low30.7Very low153 Ų153127.4 Ų127.482%0.81877%0.773SS**  trans-72.9169.9-177.9-167.714.2000116
451I27.4Very low30.6Very low134 Ų134130 Ų13069%0.68778%0.775SS**  trans79.5115.9159-43.1-170.7000122.1
452N27.8Very low30.3Very low135 Ų135126 Ų12672%0.72277%0.767SS**  trans6.4135145.1-49.3-19.7000123.8
453N28.6Very low29.3Very low149 Ų149125.7 Ų125.780%0.79777%0.767SS**  -168113.6125.1-96.3-35.2000108.7
454I30.2Very low29.3Very low151 Ų151127.4 Ų127.477%0.77477%0.77SS**  70.696.774.4-61.1175.3000114.4
455A25.6Very low29.1Very low88 Ų88127.1 Ų127.173%0.72777%0.768SS**  trans173145.7141.200000109.7
456I28.2Very low28.8Very low138 Ų138126.6 Ų126.671%0.70877%0.765SS**  cis-160.6154.2-9.7-110165.9000106.8
457K28.9Very low28.6Very low198 Ų198125.8 Ų125.886%0.86177%0.765SS**  trans72.4140.4-178.4-61.7146.2-171.9175.50114.9
458S35.4Very low28.3Very low106 Ų106127.7 Ų127.774%0.74177%0.767SS**  cis-152135.6-646.70000111.8
459N30.9Very low28.3Very low149 Ų149125.2 Ų125.280%0.79776%0.755SS**  trans27.2116.6166.8-56.87.7000119.4
460V29.6Very low28.2Very low133 Ų133127.2 Ų127.281%0.80675%0.751SS**  66.4120.651.6-179.50000110.6
461V27.6Very low28.3Very low123 Ų123125.5 Ų125.575%0.74575%0.747SS**  cis-165168.7-3.764.60000106.6
462T27.7Very low28.3Very low105 Ų105125.9 Ų125.964%0.64475%0.75SS**  cis-151.8170.525.4-39.60000110.5I464T462-I464 HydrophobicContact CG2-CD1 4.24Å; T462-I464 HydrophobicContact CG2-CG1 3.95Å
463S31Very low28.3Very low116 Ų116124.8 Ų124.881%0.81175%0.748SS**  trans-131.4130.2153.251.70000110.3
464I29.3Very low28.4Very low157 Ų157124.4 Ų124.481%0.80575%0.745SS**  trans-141.2148.1170.4-61-176.6000108.7T462T462-I464 HydrophobicContact CG2-CD1 4.24Å; T462-I464 HydrophobicContact CG2-CG1 3.95Å
465S26.7Very low28.2Very low103 Ų103122.7 Ų122.772%0.7274%0.741SS**  trans-80.9-178-171.3-47.40000115.7
466S24.8Very low28.3Very low99 Ų99128.4 Ų128.469%0.69275%0.75SS**  trans69.4121.4148.456.90000120.3
467S26.9Very low28.3Very low109 Ų109125.5 Ų125.576%0.76276%0.755SS**  trans60.3139.9135.4-47.40000118.8
468T25.6Very low28.4Very low127 Ų127122.6 Ų122.678%0.77975%0.754SS**  cis-164.1161.726.3-26.40000111.3
469A26.1Very low28.3Very low77 Ų77122.3 Ų122.364%0.63675%0.751SS**  trans70.3155.2141.900000122.3
470T28.1Very low28.6Very low121 Ų121121.8 Ų121.874%0.74275%0.748SS**  trans55.1108.5154.148.90000118.7
471T27.4Very low29.1Very low117 Ų117122.6 Ų122.672%0.71875%0.748SS**  54.1104.275.570.10000115.4
472N28.8Very low29.7Very low142 Ų142121.3 Ų121.376%0.75975%0.745SS**  trans170.9111.3137.3-88.1-7.1000108.6
473T27.5Very low30.2Very low112 Ų112123.4 Ų123.469%0.68775%0.751SS**  72.2132.478.363.90000116.2
474I29.5Very low30.5Very low141 Ų141126.5 Ų126.572%0.72375%0.749SS**  trans87.290.8145-69.9161.4000119.7
475T27.4Very low30.7Very low115 Ų115124.1 Ų124.171%0.70674%0.742SS**  70.1149.2129.570.40000124.8
476K27.7Very low31.4Very low208 Ų208124.3 Ų124.390%0.90474%0.739SS**  trans70.8135.9144.3-83.7176.5174.7-178.40119.6
477G28.3Very low32.1Very low78 Ų78127.4 Ų127.480%0.80474%0.743SS**  trans163.667.516700000115.6
478T29.4Very low32.5Very low137 Ų137128.4 Ų128.484%0.8474%0.74SS**  trans-87.8124.1175.6-52.40000111.5
479S34.5Very low32.8Very low99 Ų99128.9 Ų128.969%0.69274%0.742SS**  161.4115.3127.263.80000116.4
480N36.7Very low33Very low138 Ų138131.7 Ų131.774%0.73875%0.746SS**  43.8139.7125.9-55.8-3.7000124.7
481N41.3Very low33.1Very low150 Ų150132.2 Ų132.280%0.80275%0.749SS**  trans77.8151.8136.8-78.4-9000120.6
482S39.7Very low33.3Very low96 Ų96133.1 Ų133.167%0.67175%0.748SS**  cis-172.1-162.7-12.1-178.90000109.8
483I38.4Very low33Very low150 Ų150129.7 Ų129.777%0.76974%0.735SS**  trans80128.8162.3-61.8170000114
484K35.7Very low33.1Very low180 Ų180134.1 Ų134.178%0.78374%0.741SS**  cis-161.6-167.21-116.4-176.6175.4-173.50107.5
485T35.3Very low33Very low107 Ų107132.2 Ų132.266%0.65674%0.74SS**  -140.7-136.2-73.530.90000106.6
486T40.5Very low33.7Very low107 Ų107132.3 Ų132.366%0.65674%0.743SS**  cis-169.6154.21.4-16.90000109.7
487E38.8Very low33.6Very low164 Ų164129.7 Ų129.777%0.76674%0.739SS**  trans62.9142.4160.1-57.6-167.8-135.900120.5
488N36.7Very low33.7Very low131 Ų131130.4 Ų130.470%0.70173%0.731SS**  cis-164.3145.2-15.1-107.1-25.6000110.9
489V31.4Very low33.5Very low136 Ų136128.8 Ų128.882%0.82473%0.726SS**  trans160.4138.4147.7154.40000111.4
490N29.6Very low33.3Very low136 Ų136128.7 Ų128.773%0.72773%0.725SS**  trans-12.9145.5170.4-53.3-13000119.1
491V30.2Very low33.1Very low132 Ų132128.9 Ų128.980%0.873%0.732SS**  cis-134.7125.630179.80000113.9
492I31.1Very low32.4Very low136 Ų136127.3 Ų127.370%0.69773%0.732SS**  trans-4.4121.6150.8-61.5156.2000116.2
493S24.1Very low32Very low71 Ų71128.3 Ų128.350%0.49774%0.739SS.*  cis86.2156.130.490.20000115.2
494Y29Very low31.5Very low204 Ų204127.1 Ų127.180%0.874%0.744SS**  cis-143.5139.814.6-85.3-65.1000114.6
495S26.2Very low31.4Very low102 Ų102123.8 Ų123.871%0.71374%0.743SS**  trans61.5-164.9131.9-45.80000118.6
496P43.6Very low31.3Very low117 Ų117128.3 Ų128.376%0.7675%0.754SS**  -134.1-161.1-105.742.5-22.2000114.1
497N25.6Very low31Very low152 Ų152127.3 Ų127.381%0.81376%0.756SS**  trans129.2152130.8-148.271.8000114.9
498S29.1Very low30.6Very low93 Ų93125.2 Ų125.265%0.6576%0.755SS**  trans-82.1171.8171.5-59.80000111.9
499S27Very low30.4Very low103 Ų103125.6 Ų125.672%0.7276%0.763SS**  trans7799.3153.2-51.60000119.1
500S29.4Very low30.2Very low97 Ų97122.8 Ų122.868%0.67876%0.761SS**  63123124.864.30000121.8
501T31.7Very low30.6Very low143 Ų143121 Ų12188%0.87777%0.765SS**  trans69.2155.8159.469.10000115.8
502S26.5Very low30.8Very low117 Ų117120.6 Ų120.682%0.81877%0.768SS**  cis-142.8173.516.362.20000113.8
503S32.3Very low30.7Very low117 Ų117117.4 Ų117.482%0.81877%0.768SS**  trans-90143.9179.654.60000113.6
504S27.5Very low31.4Very low124 Ų124118.8 Ų118.887%0.86778%0.784SS**  trans-148.4162153.774.30000111
505S33.9Very low31.6Very low110 Ų110115.1 Ų115.177%0.76978%0.783SS**  trans-154.6128.1-165.559.30000115.2
506K32.8Very low32.2Very low202 Ų202116.8 Ų116.888%0.87878%0.782SS**  trans-179.3128.1148.4-100.2166.2-179.8-179.50106.9
507A34.4Very low31.7Very low86 Ų86116.9 Ų116.971%0.71178%0.781SS**  70.8139.873.900000112.2
508T30.7Very low32.1Very low120 Ų120115.9 Ų115.974%0.73678%0.775SS**  cis-148.8154.737.947.40000115.9
509T33Very low32.2Very low140 Ų140118.7 Ų118.786%0.85978%0.782SS**  trans54.3124.3149.2520000119.5
510G27.4Very low33.1Very low77 Ų77118.2 Ų118.279%0.79478%0.776SS**  cis-178.1-145.38.900000109.1
511A37Very low33.2Very low97 Ų97119.4 Ų119.480%0.80278%0.779SS**  cis172.4154.9-22.500000106.3
512S35.1Very low33.3Very low125 Ų125118.3 Ų118.387%0.87477%0.773SS**  cis-169.5162.5-19.2-83.20000106.3
513G29.4Very low33.4Very low68 Ų68118.2 Ų118.270%0.70177%0.767SS**  cis157.7175.6-1.500000111.1
514A38.4Very low33.3Very low101 Ų101119.1 Ų119.184%0.83577%0.768SS**  trans74.6152172.900000116.9
515V32.3Very low33.7Very low126 Ų126117.7 Ų117.776%0.76476%0.764SS**  cis-135.9130.320.2175.90000113.5
516I40.2Very low33.4Very low138 Ų138115.8 Ų115.871%0.70876%0.761SS**  trans23.2132.7135.4-41.5175.9000117.5
517T32.7Very low33.1Very low119 Ų119112.5 Ų112.573%0.7376%0.758SS**  -171.4125.979.2-500000116.6
518N33.2Very low32.8Very low130 Ų130112.9 Ų112.970%0.69576%0.756SS**  trans49.5116.4146.3-60.36.6000127.2
519I31.5Very low32.7Very low153 Ų153113.6 Ų113.679%0.78576%0.76SS**  16.3166124.535.6169.8000123.5
520P45.3Very low33.4Very low92 Ų92112.2 Ų112.260%0.59775%0.753SS**  cis-143.6165.73.135.9-14.5000120.1
521T32.7Very low33.5Very low122 Ų122115.9 Ų115.975%0.74876%0.76SS**  trans60.9162.1142.153.10000121.2
522T32.2Very low33.1Very low120 Ų120114 Ų11474%0.73675%0.751SS**  cis-174.2163.6-10.530.90000106.1
523T29.5Very low32.7Very low115 Ų115118.3 Ų118.371%0.70675%0.753SS**  cis170.3149.3-7.5-83.30000107.6
524T29.8Very low32.7Very low137 Ų137120 Ų12084%0.8475%0.754SS**  trans72.9150.6159.1-70.40000121
525A36.5Very low32.3Very low93 Ų93122.2 Ų122.277%0.76975%0.751SS**  trans-129.6165.7172.400000111.4
526G26.6Very low32.4Very low70 Ų70122.2 Ų122.272%0.72275%0.751SS**  trans-142.3140.316700000111.4
527T27.4Very low32Very low133 Ų133123.5 Ų123.582%0.81675%0.754SS**  cis87.7125.925.9-57.50000112.7
528S28.1Very low31.9Very low94 Ų94125 Ų12566%0.65776%0.757SS**  cis-179.3176.1-11.956.40000112.4
529V27.8Very low32.1Very low136 Ų136128.8 Ų128.882%0.82477%0.767SS**  trans86.8151.7138.61440000120.6
530P48.4Very low32Very low111 Ų111129.7 Ų129.772%0.72177%0.77SS**  trans-124.3179.9-168.344.4-30.6000115.9
531V30.5Very low31.3Very low153 Ų153130.7 Ų130.793%0.92778%0.775SS**  trans-167.7148.3157134.60000108.3
532G27.2Very low31.2Very low59 Ų59133.5 Ų133.561%0.60878%0.78SS**  cis159.6128.4-13.100000114.7
533K27.6Very low31.5Very low214 Ų214138.5 Ų138.593%0.9379%0.785SS**  trans76125.9173-48.5164.8-174.7173.60114.6
534S28.4Very low31.7Very low103 Ų103136 Ų13672%0.7278%0.782SS**  cis-164.1130.649.446.90000111.1
535I30.9Very low32.5Very low149 Ų149136.4 Ų136.476%0.76478%0.784SS**  95.3110.393.6-71169.2000115.1
536T33.1Very low32.5Very low126 Ų126140.5 Ų140.577%0.77379%0.788SS**  trans66.3144.2158.250.40000120.9
537Q32Very low33.1Very low164 Ų164142.7 Ų142.777%0.76679%0.787SS**  cis-137.9151.1-1.8-71.2-155.42700114.6
538L31.1Very low34Very low151 Ų151140.2 Ų140.279%0.79179%0.788SS**  trans16.1122.6141.1-56.4170.9000121.6
539K36.7Very low35.1Very low210 Ų210141 Ų14191%0.91379%0.789SS**  -154.8147.294.9-167.2169.3179.4-179.70110.1
540M30.9Very low36.4Very low172 Ų172139.1 Ų139.185%0.84777%0.771SS**  trans-79.2139.5-171.2-84.9-75.7-73.100114.3
541T30.2Very low37Very low113 Ų113138.1 Ų138.169%0.69376%0.76SS**  trans-70140.2158.1-48.40000110.3R543T541-R543 HydrophobicContact CG2-CG 4.47Å
542E30.3Very low38.5Very low181 Ų181134.4 Ų134.485%0.84674%0.739SS**  trans-116.3114.4154.7-174.7165.3-161.800109.7G544E542-G544 VanDerWaalsContact C-N 3.33Å; E542-G544 PolarHBondContact O-N 3.32Å
543R39.2Very low40Very low225 Ų225140.6 Ų140.685%0.84975%0.749SS**  trans-8383.1166.3-87.9-176.6166.7173.5-4.4108.2T541 T545T541-R543 HydrophobicContact CG2-CG 4.47Å; R543-T545 PolarHBondContact O-N 3.45Å
544G33.7Very low42.6Very low63 Ų63132 Ų13265%0.64972%0.716SS**  trans-65.192.3169.100000110.6E542 Q546E542-G544 VanDerWaalsContact C-N 3.33Å; E542-G544 PolarHBondContact O-N 3.32Å; G544-Q546 PolarHBondContact O-N 2.97Å
545T45.4Very low45.1Very low144 Ų144133.1 Ų133.188%0.88371%0.714SS**  trans-74.479.517150.50000109.8R543R543-T545 PolarHBondContact O-N 3.45Å
546Q36.5Very low47.6Very low179 Ų179131.9 Ų131.984%0.83671%0.709SS**  trans-108.8124166.5-166163.67.100109.2G544 G548G544-Q546 PolarHBondContact O-N 2.97Å; Q546-G548 PolarHBondContact O-N 2.71Å
547T40.1Very low50.1Low116 Ų116128.8 Ų128.871%0.71269%0.686SS**  trans-60128.7176.137.50000109.8V549T547-V549 PolarHBondContact O-N 3.11Å
548G45.6Very low52.6Low82 Ų82126.2 Ų126.285%0.84567%0.672SS**  trans-70.562.7171.500000111.6Q546 Q550Q546-G548 PolarHBondContact O-N 2.71Å; G548-Q550 PolarHBondContact O-N 2.85Å
549V51Low55.3Low109 Ų109123.2 Ų123.266%0.66166%0.656SS**  trans-66.7100.6172.3-176.20000106.7T547 N551T547-V549 PolarHBondContact O-N 3.11Å; V549-N551 PolarHBondContact O-N 3.37Å; V549-N551 VanDerWaalsContact O-N 3.16Å
550Q55.4Low57.7Low98 Ų98117.9 Ų117.946%0.45864%0.635SS.*  trans-48.8125.7167.7-74.4-168.4-8.100107.8G548 P552 H557 E560G548-Q550 PolarHBondContact O-N 2.85Å; Q550-P552 VanDerWaalsContact O-CD 3.27Å; Q550-P552 WeakPolarHBondContact O-CD 2.71Å; Q550-H557 PolarHBondContact OE1-ND1 3.3Å; Q550-E560 PolarHBondContact NE2-OE2 3.36Å; Q550-E560 PolarHBondContact OE1-OE2 3.09Å
551N61Low60.4Low90 Ų90114.7 Ų114.748%0.48162%0.619SS.*  trans-58.3116.2-179.3174.31.8000108.7V549 F553 S554V549-N551 PolarHBondContact O-N 3.37Å; V549-N551 VanDerWaalsContact O-N 3.16Å; N551-F553 PolarHBondContact O-N 2.86Å; N551-F553 VanDerWaalsContact O-N 3.07Å; N551-F553 PolarHBondContact OD1-N 3.08Å; N551-S554 WeakPolarHBondContact O-CB 3.04Å; N551-S554 PolarHBondContact O-N 3.2Å; N551-S554 PolarHBondContact O-OG 3.06Å
552P62Low63.1Low75 Ų75110.5 Ų110.549%0.48759%0.592SS.*THydrogen-bonded Turntrans-67.4-12.3-174.927.5-34.9000112.9Q550Q550-P552 VanDerWaalsContact O-CD 3.27Å; Q550-P552 WeakPolarHBondContact O-CD 2.71Å
553F59.8Low65.9Low188 Ų188108.3 Ų108.383%0.82558%0.58SS**THydrogen-bonded Turntrans-101.512.6173.8-54.2-75000113.3N551N551-F553 PolarHBondContact O-N 2.86Å; N551-F553 VanDerWaalsContact O-N 3.07Å; N551-F553 PolarHBondContact OD1-N 3.08Å
554S80.8Confident68.4Low33 Ų33101.2 Ų101.223%0.23156%0.563CS.*  trans-84136.9172.8660000111.7N551 N556 H557 F558N551-S554 WeakPolarHBondContact O-CB 3.04Å; N551-S554 PolarHBondContact O-N 3.2Å; N551-S554 PolarHBondContact O-OG 3.06Å; S554-N556 PolarHBondContact O-N 3.48Å; S554-N556 VanDerWaalsContact O-N 3.15Å; S554-H557 PolarHBondContact O-N 2.93Å; S554-H557 WeakPolarHBondContact OG-CB 3.27Å; S554-H557 PolarHBondContact OG-N 3Å; S554-F558 PolarHBondContact O-N 3.49Å
555D80.9Confident70.9Confident127 Ų127103.7 Ų103.768%0.67956%0.558SS**Hα-helixtrans-55.3-33.7176.2-68.4-33.7000112F558 L559D555-F558 PolarHBondContact O-N 3.1Å; D555-L559 VanDerWaalsContact O-CB 3.31Å; D555-L559 WeakPolarHBondContact O-CB 3.35Å; D555-L559 WeakPolarHBondContact O-CG 3.43Å; D555-L559 PolarHBondContact O-N 3.12Å
556N83.6Confident72.9Confident124 Ų124100.6 Ų100.666%0.66353%0.534SS*.Hα-helixtrans-62.8-47.5176.4-71.7-18.2000111.9S554 L559 E560S554-N556 PolarHBondContact O-N 3.48Å; S554-N556 VanDerWaalsContact O-N 3.15Å; N556-L559 PolarHBondContact O-N 3.04Å; N556-E560 VanDerWaalsContact O-CB 3.31Å; N556-E560 WeakPolarHBondContact O-CB 3.43Å; N556-E560 PolarHBondContact O-N 3.06Å
557H85.5Confident75.4Confident61 Ų6199.7 Ų99.728%0.28253%0.53SS..Hα-helixtrans-64.6-41.4176.8-178.173.6000111.8Q550 S554 L559 E560 M561Q550-H557 PolarHBondContact OE1-ND1 3.3Å; S554-H557 PolarHBondContact O-N 2.93Å; S554-H557 WeakPolarHBondContact OG-CB 3.27Å; S554-H557 PolarHBondContact OG-N 3Å; H557-L559 PolarHBondContact O-N 3.22Å; H557-E560 PolarHBondContact O-N 2.84Å; H557-M561 PolarHBondContact O-N 3.37Å
558F84.9Confident77.9Confident110 Ų110102.5 Ų102.548%0.48254%0.535SS..Hα-helixtrans-61.7-43.2175.1174.8-102.7000112.4S554 D555 M561 I562S554-F558 PolarHBondContact O-N 3.49Å; D555-F558 PolarHBondContact O-N 3.1Å; F558-M561 HydrophobicContact CD2-CE 3.98Å; F558-M561 HydrophobicContact CE2-CE 4.43Å; F558-I562 HydrophobicContact CD1-CD1 4.24Å; F558-I562 HydrophobicContact CD2-CD1 4.05Å; F558-I562 HydrophobicContact CE1-CD1 3.72Å; F558-I562 HydrophobicContact CE2-CD1 3.5Å; F558-I562 HydrophobicContact CG-CD1 4.4Å; F558-I562 HydrophobicContact CZ-CD1 3.32Å; F558-I562 WeakPolarHBondContact O-CG1 3.19Å; F558-I562 PolarHBondContact O-N 3.33Å; F558-I562 VanDerWaalsContact O-N 3.17Å
559L87.9Confident80.2Confident88 Ų88100.5 Ų100.546%0.46150%0.504SS..Hα-helixtrans-67.8-36.8174.1-72.3169.7000111.9D555 N556 H557 I562 K563D555-L559 VanDerWaalsContact O-CB 3.31Å; D555-L559 WeakPolarHBondContact O-CB 3.35Å; D555-L559 WeakPolarHBondContact O-CG 3.43Å; D555-L559 PolarHBondContact O-N 3.12Å; N556-L559 PolarHBondContact O-N 3.04Å; H557-L559 PolarHBondContact O-N 3.22Å; L559-I562 PolarHBondContact O-N 3.24Å; L559-K563 WeakPolarHBondContact O-CB 3.41Å; L559-K563 WeakPolarHBondContact O-CG 3.43Å; L559-K563 PolarHBondContact O-N 2.86Å
560E87.9Confident82.2Confident98 Ų9899.5 Ų99.546%0.45850%0.495SS..Hα-helixtrans-62.6-45.8175.4-168.1170179.400111.7Q550 N556 H557 I562 P564Q550-E560 PolarHBondContact NE2-OE2 3.36Å; Q550-E560 PolarHBondContact OE1-OE2 3.09Å; N556-E560 VanDerWaalsContact O-CB 3.31Å; N556-E560 WeakPolarHBondContact O-CB 3.43Å; N556-E560 PolarHBondContact O-N 3.06Å; H557-E560 PolarHBondContact O-N 2.84Å; E560-I562 VanDerWaalsContact C-N 3.31Å; E560-I562 PolarHBondContact O-N 3.25Å; E560-P564 WeakPolarHBondContact O-CD 3.26Å
561M86.4Confident84Confident104 Ų10499 Ų9951%0.51250%0.5SS..Hα-helixtrans-60-37.1173.4179.4-177.86200113.1H557 F558H557-M561 PolarHBondContact O-N 3.37Å; F558-M561 HydrophobicContact CD2-CE 3.98Å; F558-M561 HydrophobicContact CE2-CE 4.43Å
562I87.6Confident85.5Confident25 Ų25104.2 Ų104.213%0.12851%0.513CS..Hα-helixtrans-88.2-25.7-174.8-71177.8000113F558 L559 E560 Q565 M566 F577F558-I562 HydrophobicContact CD1-CD1 4.24Å; F558-I562 HydrophobicContact CD2-CD1 4.05Å; F558-I562 HydrophobicContact CE1-CD1 3.72Å; F558-I562 HydrophobicContact CE2-CD1 3.5Å; F558-I562 HydrophobicContact CG-CD1 4.4Å; F558-I562 HydrophobicContact CZ-CD1 3.32Å; F558-I562 WeakPolarHBondContact O-CG1 3.19Å; F558-I562 PolarHBondContact O-N 3.33Å; F558-I562 VanDerWaalsContact O-N 3.17Å; L559-I562 PolarHBondContact O-N 3.24Å; E560-I562 VanDerWaalsContact C-N 3.31Å; E560-I562 PolarHBondContact O-N 3.25Å; I562-Q565 PolarHBondContact O-N 3.31Å; I562-M566 HydrophobicContact CG2-CG 3.74Å; I562-M566 HydrophobicContact CG2-SD 3.78Å; I562-M566 WeakPolarHBondContact O-CB 3.46Å; I562-M566 PolarHBondContact O-N 3.11Å; I562-F577 HydrophobicContact CG2-CZ 4.19Å
563K89Confident87Confident135 Ų135105.8 Ų105.859%0.58751%0.514SS*.Hα-helixtrans-50.6-50.7179.5-88165.8-167171.20113.2L559 M566 Q567L559-K563 WeakPolarHBondContact O-CB 3.41Å; L559-K563 WeakPolarHBondContact O-CG 3.43Å; L559-K563 PolarHBondContact O-N 2.86Å; K563-M566 CarbonylContact O-C 3.58Å; K563-M566 PolarHBondContact O-N 3.27Å; K563-Q567 PolarHBondContact O-N 3.37Å
564P90.5Very high88.6Confident77 Ų77100.5 Ų100.550%0.549%0.491SS..Hα-helixtrans-62.8-44.1179.2-23.834.2000113.2E560 M566 Q567 E568E560-P564 WeakPolarHBondContact O-CD 3.26Å; P564-M566 VanDerWaalsContact C-N 3.33Å; P564-M566 PolarHBondContact O-N 2.98Å; P564-Q567 WeakPolarHBondContact O-CA 3.44Å; P564-Q567 WeakPolarHBondContact O-CB 3.37Å; P564-Q567 PolarHBondContact O-N 2.93Å; P564-E568 PolarHBondContact O-N 3.45Å
565Q86.4Confident89.2Confident115 Ų115104 Ų10454%0.53751%0.506SS..Hα-helixtrans-62.4-42.7177.7-57.8-177.47.700110.8I562 Q567 M569I562-Q565 PolarHBondContact O-N 3.31Å; Q565-Q567 VanDerWaalsContact C-N 3.3Å; Q565-Q567 PolarHBondContact O-N 3.44Å; Q565-M569 VanDerWaalsContact O-CG 3.22Å; Q565-M569 WeakPolarHBondContact O-CG 3.33Å; Q565-M569 PolarHBondContact O-N 2.96Å
566M88.3Confident89.8Confident79 Ų79104.1 Ų104.139%0.38950%0.502SS..Hα-helixtrans-64.7-30.5171.5-84.6-171.859.900112.8I562 K563 P564 K574 F577I562-M566 HydrophobicContact CG2-CG 3.74Å; I562-M566 HydrophobicContact CG2-SD 3.78Å; I562-M566 WeakPolarHBondContact O-CB 3.46Å; I562-M566 PolarHBondContact O-N 3.11Å; K563-M566 CarbonylContact O-C 3.58Å; K563-M566 PolarHBondContact O-N 3.27Å; P564-M566 VanDerWaalsContact C-N 3.33Å; P564-M566 PolarHBondContact O-N 2.98Å; M566-K574 WeakPolarHBondContact O-CE 3.05Å; M566-K574 PolarHBondContact O-NZ 3.48Å; M566-K574 VanDerWaalsContact O-NZ 3.11Å; M566-F577 HydrophobicContact CG-CD1 4.42Å; M566-F577 HydrophobicContact CG-CE1 4.02Å; M566-F577 HydrophobicContact SD-CD1 4.29Å; M566-F577 HydrophobicContact SD-CE1 3.59Å; M566-F577 VanDerWaalsContact SD-CE1 3.59Å; M566-F577 HydrophobicContact SD-CZ 4.3Å
567Q89.6Confident90.3Very high159 Ų159101.6 Ų101.674%0.74349%0.485SS*.Hα-helixtrans-68.2-51177.4-171.2169.2-4.800110.6K563 P564 Q565 M569 K574K563-Q567 PolarHBondContact O-N 3.37Å; P564-Q567 WeakPolarHBondContact O-CA 3.44Å; P564-Q567 WeakPolarHBondContact O-CB 3.37Å; P564-Q567 PolarHBondContact O-N 2.93Å; Q565-Q567 VanDerWaalsContact C-N 3.3Å; Q565-Q567 PolarHBondContact O-N 3.44Å; Q567-M569 VanDerWaalsContact C-N 3.33Å; Q567-M569 PolarHBondContact O-N 3.04Å; Q567-K574 PolarHBondContact O-NZ 3.31Å
568E92.3Very high90.6Very high175 Ų175106.3 Ų106.382%0.81851%0.505SS*.Hα-helixtrans-59.9-36.1-179.9-170-178.1-179.600113.4P564 N570P564-E568 PolarHBondContact O-N 3.45Å; E568-N570 PolarHBondContact O-N 3Å
569M92.8Very high91Very high41 Ų41108.1 Ų108.120%0.20251%0.513CS..SBendtrans-57.1130.8-177.2-80.3163.152.400114.1Q565 Q567 Q573 K574 F577Q565-M569 VanDerWaalsContact O-CG 3.22Å; Q565-M569 WeakPolarHBondContact O-CG 3.33Å; Q565-M569 PolarHBondContact O-N 2.96Å; Q567-M569 VanDerWaalsContact C-N 3.33Å; Q567-M569 PolarHBondContact O-N 3.04Å; M569-Q573 HydrophobicContact CB-CB 4.05Å; M569-Q573 HydrophobicContact CE-CB 4.09Å; M569-Q573 WeakPolarHBondContact CE-O 3.47Å; M569-Q573 HydrophobicContact CG-CB 4.15Å; M569-K574 HydrophobicContact CB-CG 3.98Å; M569-K574 HydrophobicContact CE-CG 4.33Å; M569-K574 VanDerWaalsContact O-CD 3.27Å; M569-K574 WeakPolarHBondContact O-CD 3.47Å; M569-K574 WeakPolarHBondContact O-CE 3.2Å; M569-K574 PolarHBondContact O-NZ 2.93Å; M569-F577 HydrophobicContact CE-CB 3.39Å; M569-F577 HydrophobicContact CE-CD1 4.37Å; M569-F577 HydrophobicContact CE-CD2 4.45Å; M569-F577 HydrophobicContact CE-CG 3.86Å
570N94.3Very high91.2Very high88 Ų88111.5 Ų111.547%0.47152%0.524SS..  trans-60.1148.7172-176.5-77.7000111.4E568 R572 Q573 K574E568-N570 PolarHBondContact O-N 3Å; N570-R572 PolarHBondContact O-N 2.82Å; N570-R572 PolarHBondContact OD1-N 2.83Å; N570-Q573 VanDerWaalsContact CB-OE1 3.32Å; N570-Q573 WeakPolarHBondContact O-CA 3.5Å; N570-Q573 WeakPolarHBondContact O-CB 3.22Å; N570-Q573 PolarHBondContact O-N 2.87Å; N570-K574 PolarHBondContact O-N 3.2Å
571P93.3Very high91.4Very high88 Ų88109.8 Ų109.857%0.57152%0.52SS*.Hα-helixtrans-45.5-35.3175.8-33.837.2000116K574 I575P571-K574 PolarHBondContact O-N 3.12Å; P571-I575 WeakPolarHBondContact O-CG1 3.41Å; P571-I575 PolarHBondContact O-N 3.25Å; P571-I575 VanDerWaalsContact O-N 3.09Å
572R92.7Very high91.6Very high198 Ų198111.3 Ų111.375%0.74752%0.524SS*.Hα-helixtrans-66.3-45174.2-68.8-177.3178.6-91.60.1112.2N570 I575 H576N570-R572 PolarHBondContact O-N 2.82Å; N570-R572 PolarHBondContact OD1-N 2.83Å; R572-I575 PolarHBondContact O-N 3.16Å; R572-H576 PolarHBondContact O-CD2 3.32Å; R572-H576 PolarHBondContact O-N 3.24Å; R572-H576 VanDerWaalsContact O-N 3.08Å
573Q92.8Very high91.8Very high108 Ų108115.7 Ų115.751%0.50554%0.544SS..Hα-helixtrans-63.8-41.3175.6-67.5163.4-44.500111M569 N570 I575 H576 F577M569-Q573 HydrophobicContact CB-CB 4.05Å; M569-Q573 HydrophobicContact CE-CB 4.09Å; M569-Q573 WeakPolarHBondContact CE-O 3.47Å; M569-Q573 HydrophobicContact CG-CB 4.15Å; N570-Q573 VanDerWaalsContact CB-OE1 3.32Å; N570-Q573 WeakPolarHBondContact O-CA 3.5Å; N570-Q573 WeakPolarHBondContact O-CB 3.22Å; N570-Q573 PolarHBondContact O-N 2.87Å; Q573-I575 VanDerWaalsContact C-N 3.32Å; Q573-I575 PolarHBondContact O-N 2.92Å; Q573-H576 PolarHBondContact O-N 3.38Å; Q573-H576 VanDerWaalsContact O-N 3.12Å; Q573-F577 WeakPolarHBondContact O-CB 3.31Å; Q573-F577 PolarHBondContact O-N 3.43Å
574K93Very high91.6Very high78 Ų78111.6 Ų111.634%0.33954%0.535SS..Hα-helixtrans-55.1-43.6173.5-74.7168.8165.1139.40112.2M566 Q567 M569 N570 P571 K578M566-K574 WeakPolarHBondContact O-CE 3.05Å; M566-K574 PolarHBondContact O-NZ 3.48Å; M566-K574 VanDerWaalsContact O-NZ 3.11Å; Q567-K574 PolarHBondContact O-NZ 3.31Å; M569-K574 HydrophobicContact CB-CG 3.98Å; M569-K574 HydrophobicContact CE-CG 4.33Å; M569-K574 VanDerWaalsContact O-CD 3.27Å; M569-K574 WeakPolarHBondContact O-CD 3.47Å; M569-K574 WeakPolarHBondContact O-CE 3.2Å; M569-K574 PolarHBondContact O-NZ 2.93Å; N570-K574 PolarHBondContact O-N 3.2Å; P571-K574 PolarHBondContact O-N 3.12Å; K574-K578 WeakPolarHBondContact O-CB 3.11Å; K574-K578 PolarHBondContact O-N 2.85Å
575I93.8Very high91.5Very high107 Ų107111.9 Ų111.955%0.54953%0.532SS..Hα-helixtrans-65.9-42.2175.2-68.7164.3000111.8P571 R572 Q573 K579P571-I575 WeakPolarHBondContact O-CG1 3.41Å; P571-I575 PolarHBondContact O-N 3.25Å; P571-I575 VanDerWaalsContact O-N 3.09Å; R572-I575 PolarHBondContact O-N 3.16Å; Q573-I575 VanDerWaalsContact C-N 3.32Å; Q573-I575 PolarHBondContact O-N 2.92Å; I575-K579 PolarHBondContact O-N 3.17Å
576H93.3Very high91.4Very high129 Ų129110 Ų11060%0.59752%0.524SS*.Hα-helixtrans-67.3-39.5177.3-80.1-74.3000113.1R572 Q573 K579 K580R572-H576 PolarHBondContact O-CD2 3.32Å; R572-H576 PolarHBondContact O-N 3.24Å; R572-H576 VanDerWaalsContact O-N 3.08Å; Q573-H576 PolarHBondContact O-N 3.38Å; Q573-H576 VanDerWaalsContact O-N 3.12Å; H576-K579 WeakPolarHBondContact O-CB 3.42Å; H576-K579 PolarHBondContact O-N 3.37Å; H576-K580 PolarHBondContact O-N 2.86Å
577F93.3Very high91.3Very high70 Ų70112.4 Ų112.431%0.30753%0.534SS..Hα-helixtrans-65.3-47.4173.9176.5-99.2000111.5I562 M566 M569 Q573 K579 K580 V581I562-F577 HydrophobicContact CG2-CZ 4.19Å; M566-F577 HydrophobicContact CG-CD1 4.42Å; M566-F577 HydrophobicContact CG-CE1 4.02Å; M566-F577 HydrophobicContact SD-CD1 4.29Å; M566-F577 HydrophobicContact SD-CE1 3.59Å; M566-F577 VanDerWaalsContact SD-CE1 3.59Å; M566-F577 HydrophobicContact SD-CZ 4.3Å; M569-F577 HydrophobicContact CE-CB 3.39Å; M569-F577 HydrophobicContact CE-CD1 4.37Å; M569-F577 HydrophobicContact CE-CD2 4.45Å; M569-F577 HydrophobicContact CE-CG 3.86Å; Q573-F577 WeakPolarHBondContact O-CB 3.31Å; Q573-F577 PolarHBondContact O-N 3.43Å; F577-K579 PolarHBondContact O-N 2.87Å; F577-K580 WeakPolarHBondContact O-CA 3.25Å; F577-K580 WeakPolarHBondContact O-CB 3.31Å; F577-K580 PolarHBondContact O-N 3.25Å; F577-V581 HydrophobicContact CD1-CG2 4.18Å; F577-V581 HydrophobicContact CD2-CG2 4.47Å; F577-V581 HydrophobicContact CE1-CG2 3.79Å; F577-V581 HydrophobicContact CE2-CG2 4.11Å; F577-V581 HydrophobicContact CG-CG2 4.5Å; F577-V581 HydrophobicContact CZ-CG2 3.76Å; F577-V581 WeakPolarHBondContact O-CG2 3.43Å; F577-V581 PolarHBondContact O-N 3.49Å
578K93.1Very high90.6Very high160 Ų160108.2 Ų108.270%0.69652%0.519SS*.Hα-helixtrans-58.4-36.2174.2-173.5168.7-177.3169.70112.2K574 F582K574-K578 WeakPolarHBondContact O-CB 3.11Å; K574-K578 PolarHBondContact O-N 2.85Å; K578-F582 VanDerWaalsContact O-CB 3.26Å; K578-F582 WeakPolarHBondContact O-CB 3.14Å; K578-F582 PolarHBondContact O-N 3.24Å
579K92.8Very high89.4Confident149 Ų149106.6 Ų106.665%0.64851%0.51SS*.Hα-helixtrans-64.6-44.2170-89-168.1170.9-170.60112.9I575 H576 F577 F582 Q583I575-K579 PolarHBondContact O-N 3.17Å; H576-K579 WeakPolarHBondContact O-CB 3.42Å; H576-K579 PolarHBondContact O-N 3.37Å; F577-K579 PolarHBondContact O-N 2.87Å; K579-F582 PolarHBondContact O-N 2.87Å; K579-Q583 VanDerWaalsContact O-CB 3.23Å; K579-Q583 WeakPolarHBondContact O-CB 3.48Å; K579-Q583 PolarHBondContact O-N 2.94Å
580K92.8Very high88Confident159 Ų159110.2 Ų110.269%0.69153%0.53SS*.Hα-helixtrans-62.5-47.4176.5-77.9-171.9173.1-170.50112H576 F577 Q583 A584H576-K580 PolarHBondContact O-N 2.86Å; F577-K580 WeakPolarHBondContact O-CA 3.25Å; F577-K580 WeakPolarHBondContact O-CB 3.31Å; F577-K580 PolarHBondContact O-N 3.25Å; K580-Q583 PolarHBondContact O-N 2.91Å; K580-A584 WeakPolarHBondContact O-CB 3.41Å; K580-A584 PolarHBondContact O-N 3.15Å
581V91.6Very high85.9Confident62 Ų62110.7 Ų110.738%0.37653%0.533SS..Hα-helixtrans-60.3-47.5176.8172.90000110.5F577 Q583 A584 L585F577-V581 HydrophobicContact CD1-CG2 4.18Å; F577-V581 HydrophobicContact CD2-CG2 4.47Å; F577-V581 HydrophobicContact CE1-CG2 3.79Å; F577-V581 HydrophobicContact CE2-CG2 4.11Å; F577-V581 HydrophobicContact CG-CG2 4.5Å; F577-V581 HydrophobicContact CZ-CG2 3.76Å; F577-V581 WeakPolarHBondContact O-CG2 3.43Å; F577-V581 PolarHBondContact O-N 3.49Å; V581-Q583 VanDerWaalsContact C-N 3.34Å; V581-Q583 PolarHBondContact O-N 2.85Å; V581-A584 PolarHBondContact O-N 2.98Å; V581-L585 HydrophobicContact CG1-CD1 3.82Å; V581-L585 HydrophobicContact CG1-CG 4.4Å; V581-L585 WeakPolarHBondContact O-CB 3.5Å; V581-L585 VanDerWaalsContact O-CG 3.25Å; V581-L585 WeakPolarHBondContact O-CG 3.43Å; V581-L585 PolarHBondContact O-N 3.38Å
582F90.9Very high83.8Confident136 Ų136110.4 Ų110.460%0.59654%0.538SS*.Hα-helixtrans-64.4-36.8177-172.5-100.9000112.9K578 K579 M586K578-F582 VanDerWaalsContact O-CB 3.26Å; K578-F582 WeakPolarHBondContact O-CB 3.14Å; K578-F582 PolarHBondContact O-N 3.24Å; K579-F582 PolarHBondContact O-N 2.87Å; F582-M586 HydrophobicContact CD1-CG 4.33Å; F582-M586 HydrophobicContact CD1-SD 4.15Å; F582-M586 HydrophobicContact CE1-CG 3.94Å; F582-M586 HydrophobicContact CE1-SD 3.43Å; F582-M586 WeakPolarHBondContact CE1-SD 3.29Å; F582-M586 HydrophobicContact CZ-CG 4.14Å; F582-M586 HydrophobicContact CZ-SD 3.91Å; F582-M586 WeakPolarHBondContact O-CB 3.48Å; F582-M586 WeakPolarHBondContact O-CG 3.48Å; F582-M586 PolarHBondContact O-N 2.89Å
583Q91Very high81.9Confident117 Ų117106.2 Ų106.255%0.54753%0.534SS..Hα-helixtrans-66.9-43.7176.3-177.159.57600112K579 K580 V581 M586 E587K579-Q583 VanDerWaalsContact O-CB 3.23Å; K579-Q583 WeakPolarHBondContact O-CB 3.48Å; K579-Q583 PolarHBondContact O-N 2.94Å; K580-Q583 PolarHBondContact O-N 2.91Å; V581-Q583 VanDerWaalsContact C-N 3.34Å; V581-Q583 PolarHBondContact O-N 2.85Å; Q583-M586 PolarHBondContact O-N 3.37Å; Q583-E587 WeakPolarHBondContact O-CB 3.41Å; Q583-E587 PolarHBondContact O-N 3.36Å
584A85.9Confident79.7Confident49 Ų49107 Ų10741%0.40554%0.542SS..Hα-helixtrans-66.1-40.8176.700000111.7K580 V581 M586 E587 T588K580-A584 WeakPolarHBondContact O-CB 3.41Å; K580-A584 PolarHBondContact O-N 3.15Å; V581-A584 PolarHBondContact O-N 2.98Å; A584-M586 VanDerWaalsContact C-N 3.33Å; A584-M586 PolarHBondContact O-N 2.87Å; A584-E587 WeakPolarHBondContact O-CB 3.23Å; A584-E587 PolarHBondContact O-N 2.74Å; A584-T588 PolarHBondContact O-N 3.5Å; A584-T588 PolarHBondContact O-OG1 3.46Å
585L87.8Confident77.5Confident83 Ų83109.1 Ų109.144%0.43555%0.552SS.*Hα-helixtrans-65.8-34.7174-69.5170.8000112.3V581 T588 F589V581-L585 HydrophobicContact CG1-CD1 3.82Å; V581-L585 HydrophobicContact CG1-CG 4.4Å; V581-L585 WeakPolarHBondContact O-CB 3.5Å; V581-L585 VanDerWaalsContact O-CG 3.25Å; V581-L585 WeakPolarHBondContact O-CG 3.43Å; V581-L585 PolarHBondContact O-N 3.38Å; L585-T588 PolarHBondContact O-OG1 2.74Å; L585-F589 HydrophobicContact CB-CD2 4.45Å; L585-F589 HydrophobicContact CD2-CE2 4.07Å; L585-F589 VanDerWaalsContact O-CB 3.32Å; L585-F589 WeakPolarHBondContact O-CB 3.43Å; L585-F589 WeakPolarHBondContact O-CD2 3.32Å; L585-F589 WeakPolarHBondContact O-CG 3.32Å; L585-F589 PolarHBondContact O-N 3.36Å; L585-F589 VanDerWaalsContact O-N 3.16Å
586M85.1Confident75.2Confident75 Ų75109.4 Ų109.437%0.36956%0.56SS.*Hα-helixtrans-67-41.7170-79.1-16369.800111.5F582 Q583 A584 F589 D590F582-M586 HydrophobicContact CD1-CG 4.33Å; F582-M586 HydrophobicContact CD1-SD 4.15Å; F582-M586 HydrophobicContact CE1-CG 3.94Å; F582-M586 HydrophobicContact CE1-SD 3.43Å; F582-M586 WeakPolarHBondContact CE1-SD 3.29Å; F582-M586 HydrophobicContact CZ-CG 4.14Å; F582-M586 HydrophobicContact CZ-SD 3.91Å; F582-M586 WeakPolarHBondContact O-CB 3.48Å; F582-M586 WeakPolarHBondContact O-CG 3.48Å; F582-M586 PolarHBondContact O-N 2.89Å; Q583-M586 PolarHBondContact O-N 3.37Å; A584-M586 VanDerWaalsContact C-N 3.33Å; A584-M586 PolarHBondContact O-N 2.87Å; M586-F589 PolarHBondContact O-N 3.06Å; M586-D590 WeakPolarHBondContact CE-OD2 3.37Å; M586-D590 WeakPolarHBondContact O-CB 3.33Å; M586-D590 PolarHBondContact O-N 2.91Å
587E84.9Confident72.6Confident129 Ų129108.1 Ų108.160%0.60356%0.562SS**Hα-helixtrans-57.3-52.7176.1-161165.1177.400110.3Q583 A584 F589 D591Q583-E587 WeakPolarHBondContact O-CB 3.41Å; Q583-E587 PolarHBondContact O-N 3.36Å; A584-E587 WeakPolarHBondContact O-CB 3.23Å; A584-E587 PolarHBondContact O-N 2.74Å; E587-F589 VanDerWaalsContact C-N 3.31Å; E587-F589 PolarHBondContact O-N 3.06Å; E587-D591 WeakPolarHBondContact O-CB 3.33Å; E587-D591 PolarHBondContact O-N 2.94Å; E587-D591 VanDerWaalsContact O-N 3.16Å
588T74.9Confident70.6Confident71 Ų71110.6 Ų110.644%0.43659%0.588SS.*Hα-helixtrans-69.3-17.2178.958.20000115.6A584 L585A584-T588 PolarHBondContact O-N 3.5Å; A584-T588 PolarHBondContact O-OG1 3.46Å; L585-T588 PolarHBondContact O-OG1 2.74Å
589F67.8Low68.3Low141 Ų141112.2 Ų112.262%0.61860%0.595SS**Hα-helixtrans-111.5-15.8-178.1-67.8-47.1000115.2L585 M586 E587L585-F589 HydrophobicContact CB-CD2 4.45Å; L585-F589 HydrophobicContact CD2-CE2 4.07Å; L585-F589 VanDerWaalsContact O-CB 3.32Å; L585-F589 WeakPolarHBondContact O-CB 3.43Å; L585-F589 WeakPolarHBondContact O-CD2 3.32Å; L585-F589 WeakPolarHBondContact O-CG 3.32Å; L585-F589 PolarHBondContact O-N 3.36Å; L585-F589 VanDerWaalsContact O-N 3.16Å; M586-F589 PolarHBondContact O-N 3.06Å; E587-F589 VanDerWaalsContact C-N 3.31Å; E587-F589 PolarHBondContact O-N 3.06Å
590D63.3Low65.6Low117 Ų117112.6 Ų112.663%0.62660%0.599SS**Hα-helixtrans-95.6-18.3169.6-75.3-35000112.5M586 A592M586-D590 WeakPolarHBondContact CE-OD2 3.37Å; M586-D590 WeakPolarHBondContact O-CB 3.33Å; M586-D590 PolarHBondContact O-N 2.91Å; D590-A592 PolarHBondContact O-N 3.16Å
591D49.9Very low63.5Low98 Ų98112.4 Ų112.452%0.52461%0.605SS.*  trans-73.291.5172.5-136.318.8000110.3E587 T593 D594E587-D591 WeakPolarHBondContact O-CB 3.33Å; E587-D591 PolarHBondContact O-N 2.94Å; E587-D591 VanDerWaalsContact O-N 3.16Å; D591-T593 PolarHBondContact O-N 2.81Å; D591-D594 PolarHBondContact O-N 3.26Å; D591-D594 VanDerWaalsContact O-N 3.1Å
592A49.4Very low61.1Low83 Ų83115.9 Ų115.969%0.68662%0.617SS**THydrogen-bonded Turntrans-65.53.9-173.500000114.9D590D590-A592 PolarHBondContact O-N 3.16Å
593T53.3Low58.5Low109 Ų109117.9 Ų117.967%0.66963%0.628SS**THydrogen-bonded Turntrans-91.1-23173.436.10000114.1D591 F595D591-T593 PolarHBondContact O-N 2.81Å; T593-F595 VanDerWaalsContact C-N 3.34Å
594D47Very low55.8Low126 Ų126120.4 Ų120.467%0.67464%0.637SS**SBendtrans-88.1-4.5-174.9-131.934.8000113.2D591D591-D594 PolarHBondContact O-N 3.26Å; D591-D594 VanDerWaalsContact O-N 3.1Å
595F45.6Very low53.2Low122 Ų122124.4 Ų124.454%0.53565%0.652SS.*SBendtrans-76121.7158.1-72.2-85000108.9T593 T597T593-F595 VanDerWaalsContact C-N 3.34Å; F595-T597 PolarHBondContact O-N 3.28Å
596P45.3Very low51.3Low112 Ų112128.2 Ų128.273%0.72767%0.671SS**  trans-58.7112.8173.124-32.7000108.6S598P596-S598 PolarHBondContact O-N 3.24Å
597T39.8Very low49.2Very low102 Ų102132.3 Ų132.363%0.62669%0.694SS**  trans-61.6124.3-176.1-63.50000107.6F595 K599 E600F595-T597 PolarHBondContact O-N 3.28Å; T597-K599 PolarHBondContact O-N 3.18Å; T597-E600 PolarHBondContact O-N 2.9Å
598S50Low47Very low123 Ų123130.7 Ų130.786%0.8669%0.693SS**THydrogen-bonded Turntrans-73.840.2-162.253.30000115.7P596P596-S598 PolarHBondContact O-N 3.24Å
599K45.5Very low45.4Very low193 Ų193132.6 Ų132.684%0.83971%0.707SS**THydrogen-bonded Turntrans-141.4-10.8172.9-74.2-165.4170.3-169.20113.7T597 L601T597-K599 PolarHBondContact O-N 3.18Å; K599-L601 PolarHBondContact O-N 3.34Å; K599-L601 VanDerWaalsContact O-N 3.15Å
600E36.4Very low44.3Very low157 Ų157129.4 Ų129.473%0.73470%0.702SS**  trans-78.499.5170.2-172.1155.6-148.500109.1T597 Q602T597-E600 PolarHBondContact O-N 2.9Å; E600-Q602 VanDerWaalsContact C-N 3.27Å; E600-Q602 PolarHBondContact O-N 2.81Å
601L47.9Very low43.6Very low156 Ų156127.7 Ų127.782%0.81771%0.712SS**  trans-6890.2166.2-78.3166.4000108K599 H603K599-L601 PolarHBondContact O-N 3.34Å; K599-L601 VanDerWaalsContact O-N 3.15Å; L601-H603 PolarHBondContact O-N 3.45Å
602Q42Very low43.7Very low134 Ų134129 Ų12963%0.62671%0.713SS**  trans-58.3110161.3-71.4-169100107.6E600 F604E600-Q602 VanDerWaalsContact C-N 3.27Å; E600-Q602 PolarHBondContact O-N 2.81Å; Q602-F604 VanDerWaalsContact C-N 3.32Å; Q602-F604 WeakPolarHBondContact O-CD2 3.44Å; Q602-F604 PolarHBondContact O-N 3.43Å
603H35.4Very low44.1Very low178 Ų178132.4 Ų132.482%0.82472%0.715SS**  trans-64.797.6166.6-100.2-104.4000107.6L601 N605L601-H603 PolarHBondContact O-N 3.45Å; H603-N605 PolarHBondContact O-N 3.09Å; H603-N605 VanDerWaalsContact O-N 3.1Å
604F34.5Very low44.1Very low171 Ų171135.5 Ų135.575%0.7572%0.722SS**  trans-57.9115.9167.6-77.5-88.6000108.1Q602 I606Q602-F604 VanDerWaalsContact C-N 3.32Å; Q602-F604 WeakPolarHBondContact O-CD2 3.44Å; Q602-F604 PolarHBondContact O-N 3.43Å; F604-I606 PolarHBondContact O-N 3.3Å
605N32.2Very low44.7Very low133 Ų133132.7 Ų132.771%0.71171%0.706SS**  trans-62.2126.6173.4-86.8-42.1000108.5H603 N607 T608H603-N605 PolarHBondContact O-N 3.09Å; H603-N605 VanDerWaalsContact O-N 3.1Å; N605-N607 PolarHBondContact O-N 3.19Å; N605-T608 PolarHBondContact O-N 3.1Å; N605-T608 PolarHBondContact O-OG1 3.14Å; N605-T608 VanDerWaalsContact O-OG1 3.08Å
606I47.3Very low46Very low163 Ų163130.2 Ų130.284%0.83670%0.701SS**THydrogen-bonded Turntrans-63.9-9.9-165.4-66.3166.8000113.2F604F604-I606 PolarHBondContact O-N 3.3Å
607N40.4Very low47.2Very low160 Ų160130.5 Ų130.586%0.85670%0.696SS**THydrogen-bonded Turntrans-102.228.9-175.4-60.2-8000113.7N605N605-N607 PolarHBondContact O-N 3.19Å
608T38.9Very low48.9Very low95 Ų95129.3 Ų129.358%0.58369%0.69SS**SBendtrans-116.3128169.4-17.50000107.4N605 S610N605-T608 PolarHBondContact O-N 3.1Å; N605-T608 PolarHBondContact O-OG1 3.14Å; N605-T608 VanDerWaalsContact O-OG1 3.08Å; T608-S610 PolarHBondContact O-N 3.08Å
609P41.3Very low50Low111 Ų111127.9 Ų127.972%0.72167%0.67SS**  trans-59.3133.9-175.423.4-33.3000110.8
610S45.8Very low51.5Low75 Ų75121.2 Ų121.252%0.52464%0.643SS.*  trans-72.7130.3-171.8-170.20000110.3T608 F612T608-S610 PolarHBondContact O-N 3.08Å; S610-F612 PolarHBondContact O-N 3.13Å; S610-F612 WeakPolarHBondContact OG-CD2 3.4Å
611G48.5Very low53.3Low81 Ų81121.2 Ų121.284%0.83564%0.637SS**THydrogen-bonded Turntrans-69.536.1175.600000114.7
612F50.8Low55Low125 Ų125118.6 Ų118.655%0.54862%0.623SS.*THydrogen-bonded Turntrans-127.37-172.6-76.6-96.7000112.5S610 H614 I615S610-F612 PolarHBondContact O-N 3.13Å; S610-F612 WeakPolarHBondContact OG-CD2 3.4Å; F612-H614 PolarHBondContact O-N 3.23Å; F612-I615 HydrophobicContact CD1-CB 4.4Å; F612-I615 HydrophobicContact CD1-CD1 3.53Å; F612-I615 HydrophobicContact CD1-CG1 3.95Å; F612-I615 HydrophobicContact CE1-CD1 3.71Å; F612-I615 PolarHBondContact O-N 3.17Å
613E57.9Low57Low154 Ų154116 Ų11672%0.7262%0.616SS**THydrogen-bonded Turntrans-61.20.2176.7-67.4175.9-176.500114.5
614H53.2Low59.4Low175 Ų175115.6 Ų115.681%0.8161%0.607SS**THydrogen-bonded Turntrans-121.91.4176.4-58-18.1000113.6F612F612-H614 PolarHBondContact O-N 3.23Å
615I60.4Low61.7Low66 Ų66112.9 Ų112.934%0.33860%0.597SS.*  trans-93.2117.4175.2-52.7-155.1000109.1F612 E619 L620F612-I615 HydrophobicContact CD1-CB 4.4Å; F612-I615 HydrophobicContact CD1-CD1 3.53Å; F612-I615 HydrophobicContact CD1-CG1 3.95Å; F612-I615 HydrophobicContact CE1-CD1 3.71Å; F612-I615 PolarHBondContact O-N 3.17Å; I615-E619 HydrophobicContact CG2-CB 3.6Å; I615-L620 HydrophobicContact CG2-CG 3.93Å
616T73.1Confident64.3Low70 Ų70110.8 Ų110.843%0.42959%0.585SS.*  trans-77156.6-177.865.80000111.9P618 E619 L620T616-P618 VanDerWaalsContact C-CD 3.5Å; T616-P618 WeakPolarHBondContact OG1-CG 3.43Å; T616-E619 WeakPolarHBondContact CB-OE2 3.3Å; T616-E619 PolarHBondContact N-OE2 3.5Å; T616-E619 WeakPolarHBondContact O-CB 3.41Å; T616-E619 PolarHBondContact O-N 3.39Å; T616-E619 WeakPolarHBondContact OG1-CG 3.46Å; T616-E619 PolarHBondContact OG1-OE2 3.1Å; T616-L620 PolarHBondContact O-N 2.93Å
617D70Confident66Low119 Ų119107.5 Ų107.564%0.63657%0.572SS**Hα-helixtrans-51.6-40.6176.3-86.3-38.3000115.6E619 L620 R621D617-E619 VanDerWaalsContact C-N 3.34Å; D617-L620 PolarHBondContact O-N 2.87Å; D617-R621 WeakPolarHBondContact O-CB 3.26Å; D617-R621 PolarHBondContact O-N 2.86Å
618P74.6Confident67.9Low77 Ų77103.4 Ų103.450%0.556%0.556SS.*Hα-helixtrans-65.3-33173.423.9-33.5000113.3T616 R621 L622T616-P618 VanDerWaalsContact C-CD 3.5Å; T616-P618 WeakPolarHBondContact OG1-CG 3.43Å; P618-R621 WeakPolarHBondContact O-CB 3.31Å; P618-R621 PolarHBondContact O-N 3.43Å; P618-L622 WeakPolarHBondContact O-CB 3.23Å; P618-L622 PolarHBondContact O-N 3.37Å
619E74.5Confident69.5Low93 Ų93104.6 Ų104.644%0.43556%0.557SS.*Hα-helixtrans-72.1-40.1174.9-66.116711800111.3I615 T616 D617 R621 L622 V623I615-E619 HydrophobicContact CG2-CB 3.6Å; T616-E619 WeakPolarHBondContact CB-OE2 3.3Å; T616-E619 PolarHBondContact N-OE2 3.5Å; T616-E619 WeakPolarHBondContact O-CB 3.41Å; T616-E619 PolarHBondContact O-N 3.39Å; T616-E619 WeakPolarHBondContact OG1-CG 3.46Å; T616-E619 PolarHBondContact OG1-OE2 3.1Å; D617-E619 VanDerWaalsContact C-N 3.34Å; E619-R621 VanDerWaalsContact C-N 3.27Å; E619-R621 PolarHBondContact O-N 2.97Å; E619-L622 PolarHBondContact O-N 2.92Å; E619-V623 WeakPolarHBondContact O-CB 3.34Å; E619-V623 VanDerWaalsContact O-CG2 3.31Å; E619-V623 WeakPolarHBondContact O-CG2 3.37Å; E619-V623 PolarHBondContact O-N 3.07Å
620L76.6Confident71.3Confident53 Ų53103.9 Ų103.928%0.27755%0.55SS.*Hα-helixtrans-61.1-36.1170.1-85163.7000112I615 T616 D617 R624I615-L620 HydrophobicContact CG2-CG 3.93Å; T616-L620 PolarHBondContact O-N 2.93Å; D617-L620 PolarHBondContact O-N 2.87Å; L620-R624 WeakPolarHBondContact O-CB 3.31Å; L620-R624 WeakPolarHBondContact O-CD 3.35Å; L620-R624 WeakPolarHBondContact O-CG 3.49Å; L620-R624 PolarHBondContact O-N 3.16Å; L620-R624 VanDerWaalsContact O-N 3.08Å
621R74.6Confident72.5Confident157 Ų157103.3 Ų103.359%0.59255%0.546SS*.Hα-helixtrans-65.9-48.3172.4-170.8-179.2-64.7112.21.6111.2D617 P618 E619 V623 R624 E625D617-R621 WeakPolarHBondContact O-CB 3.26Å; D617-R621 PolarHBondContact O-N 2.86Å; P618-R621 WeakPolarHBondContact O-CB 3.31Å; P618-R621 PolarHBondContact O-N 3.43Å; E619-R621 VanDerWaalsContact C-N 3.27Å; E619-R621 PolarHBondContact O-N 2.97Å; R621-V623 VanDerWaalsContact C-N 3.34Å; R621-V623 PolarHBondContact O-N 2.85Å; R621-R624 WeakPolarHBondContact O-CB 3.46Å; R621-R624 PolarHBondContact O-N 2.82Å; R621-R624 VanDerWaalsContact O-N 3.16Å; R621-E625 WeakPolarHBondContact O-CB 3.27Å; R621-E625 PolarHBondContact O-N 2.99Å
622L84Confident73Confident100 Ų100102.1 Ų102.152%0.52453%0.528SS..Hα-helixtrans-59.2-41.8177.3-17471.3000112P618 E619 E625 L626P618-L622 WeakPolarHBondContact O-CB 3.23Å; P618-L622 PolarHBondContact O-N 3.37Å; E619-L622 PolarHBondContact O-N 2.92Å; L622-E625 PolarHBondContact O-N 3.1Å; L622-L626 HydrophobicContact CG-CD1 4.14Å; L622-L626 WeakPolarHBondContact O-CB 3.49Å; L622-L626 WeakPolarHBondContact O-CG 3.47Å; L622-L626 PolarHBondContact O-N 2.9Å
623V83.3Confident73.4Confident80 Ų8099 Ų9949%0.48553%0.525SS..Hα-helixtrans-64.8-42.2175.6168.70000111.3E619 R621 V627E619-V623 WeakPolarHBondContact O-CB 3.34Å; E619-V623 VanDerWaalsContact O-CG2 3.31Å; E619-V623 WeakPolarHBondContact O-CG2 3.37Å; E619-V623 PolarHBondContact O-N 3.07Å; R621-V623 VanDerWaalsContact C-N 3.34Å; R621-V623 PolarHBondContact O-N 2.85Å; V623-V627 WeakPolarHBondContact O-CB 3.4Å; V623-V627 VanDerWaalsContact O-CG2 3.27Å; V623-V627 WeakPolarHBondContact O-CG2 3.43Å; V623-V627 PolarHBondContact O-N 3.32Å
624R86.8Confident73.5Confident170 Ų17099.3 Ų99.364%0.64252%0.524SS*.Hα-helixtrans-64.1-40.2174.8-71165.4-170.1176.56.8111.7L620 R621 V627 S628L620-R624 WeakPolarHBondContact O-CB 3.31Å; L620-R624 WeakPolarHBondContact O-CD 3.35Å; L620-R624 WeakPolarHBondContact O-CG 3.49Å; L620-R624 PolarHBondContact O-N 3.16Å; L620-R624 VanDerWaalsContact O-N 3.08Å; R621-R624 WeakPolarHBondContact O-CB 3.46Å; R621-R624 PolarHBondContact O-N 2.82Å; R621-R624 VanDerWaalsContact O-N 3.16Å; R624-V627 PolarHBondContact O-N 3.45Å; R624-S628 WeakPolarHBondContact O-CB 3.44Å; R624-S628 PolarHBondContact O-N 2.86Å
625E80.8Confident73.4Confident114 Ų11496.2 Ų96.253%0.53352%0.518SS..Hα-helixtrans-67.4-45177.6-172.9170.9-177.900112.1R621 L622 V627 S628 M629R621-E625 WeakPolarHBondContact O-CB 3.27Å; R621-E625 PolarHBondContact O-N 2.99Å; L622-E625 PolarHBondContact O-N 3.1Å; E625-V627 VanDerWaalsContact C-N 3.34Å; E625-V627 PolarHBondContact O-N 2.88Å; E625-S628 CarbonylContact O-C 3.5Å; E625-S628 WeakPolarHBondContact O-CA 3.44Å; E625-S628 VanDerWaalsContact O-CB 3.3Å; E625-S628 WeakPolarHBondContact O-CB 3.5Å; E625-S628 PolarHBondContact O-N 2.98Å; E625-S628 VanDerWaalsContact O-N 3.09Å; E625-M629 PolarHBondContact O-N 3.25Å
626L87.1Confident73Confident88 Ų8898.3 Ų98.346%0.46153%0.534SS..Hα-helixtrans-60.3-41.1172.7-77.7166.8000112L622 S628 M629 V630L622-L626 HydrophobicContact CG-CD1 4.14Å; L622-L626 WeakPolarHBondContact O-CB 3.49Å; L622-L626 WeakPolarHBondContact O-CG 3.47Å; L622-L626 PolarHBondContact O-N 2.9Å; L626-S628 VanDerWaalsContact C-N 3.33Å; L626-M629 PolarHBondContact O-N 3.36Å; L626-V630 VanDerWaalsContact O-CB 3.31Å; L626-V630 WeakPolarHBondContact O-CB 3.36Å; L626-V630 VanDerWaalsContact O-CG2 3.23Å; L626-V630 WeakPolarHBondContact O-CG2 3.46Å; L626-V630 PolarHBondContact O-N 2.87Å
627V83.9Confident71.6Confident94 Ų94102.2 Ų102.257%0.5755%0.551SS**Hα-helixtrans-65.6-36.1173.9168.80000111.5V623 R624 E625 S631V623-V627 WeakPolarHBondContact O-CB 3.4Å; V623-V627 VanDerWaalsContact O-CG2 3.27Å; V623-V627 WeakPolarHBondContact O-CG2 3.43Å; V623-V627 PolarHBondContact O-N 3.32Å; R624-V627 PolarHBondContact O-N 3.45Å; E625-V627 VanDerWaalsContact C-N 3.34Å; E625-V627 PolarHBondContact O-N 2.88Å; V627-S631 WeakPolarHBondContact O-CB 3.34Å; V627-S631 PolarHBondContact O-N 3.41Å; V627-S631 PolarHBondContact O-OG 3.43Å
628S79.4Confident70.4Confident74 Ų74103.7 Ų103.752%0.51756%0.557SS.*Hα-helixtrans-64.8-49.6173.3-164.80000111.7R624 E625 L626 V630 S631 A632R624-S628 WeakPolarHBondContact O-CB 3.44Å; R624-S628 PolarHBondContact O-N 2.86Å; E625-S628 CarbonylContact O-C 3.5Å; E625-S628 WeakPolarHBondContact O-CA 3.44Å; E625-S628 VanDerWaalsContact O-CB 3.3Å; E625-S628 WeakPolarHBondContact O-CB 3.5Å; E625-S628 PolarHBondContact O-N 2.98Å; E625-S628 VanDerWaalsContact O-N 3.09Å; L626-S628 VanDerWaalsContact C-N 3.33Å; S628-V630 PolarHBondContact O-N 3.36Å; S628-S631 PolarHBondContact O-N 3.16Å; S628-S631 PolarHBondContact O-OG 3.41Å; S628-A632 WeakPolarHBondContact O-CB 3.44Å; S628-A632 PolarHBondContact O-N 2.87Å
629M73.3Confident68.6Low120 Ų120108.6 Ų108.659%0.59157%0.566SS**Hα-helixtrans-58.7-46.4174.3-80.4177.755.800112.5E625 L626 S631 A632 A633E625-M629 PolarHBondContact O-N 3.25Å; L626-M629 PolarHBondContact O-N 3.36Å; M629-S631 PolarHBondContact O-N 2.99Å; M629-A632 PolarHBondContact O-N 2.64Å; M629-A633 VanDerWaalsContact O-CB 3.29Å; M629-A633 WeakPolarHBondContact O-CB 3.47Å; M629-A633 PolarHBondContact O-N 2.78Å
630V78.4Confident66.8Low97 Ų97109.1 Ų109.159%0.58858%0.577SS**Hα-helixtrans-67.9-35.1-179.2168.90000111.5L626 S628 K634L626-V630 VanDerWaalsContact O-CB 3.31Å; L626-V630 WeakPolarHBondContact O-CB 3.36Å; L626-V630 VanDerWaalsContact O-CG2 3.23Å; L626-V630 WeakPolarHBondContact O-CG2 3.46Å; L626-V630 PolarHBondContact O-N 2.87Å; S628-V630 PolarHBondContact O-N 3.36Å; V630-K634 VanDerWaalsContact O-CB 3.26Å; V630-K634 WeakPolarHBondContact O-CB 3.5Å; V630-K634 PolarHBondContact O-N 2.91Å; V630-K634 VanDerWaalsContact O-N 3.1Å
631S70.5Confident65.4Low62 Ų62113.6 Ų113.643%0.43461%0.609SS.*Hα-helixtrans-71.9-40.7174.154.50000112.2V627 S628 M629 K634 V635V627-S631 WeakPolarHBondContact O-CB 3.34Å; V627-S631 PolarHBondContact O-N 3.41Å; V627-S631 PolarHBondContact O-OG 3.43Å; S628-S631 PolarHBondContact O-N 3.16Å; S628-S631 PolarHBondContact O-OG 3.41Å; M629-S631 PolarHBondContact O-N 2.99Å; S631-K634 WeakPolarHBondContact O-CB 3.27Å; S631-K634 PolarHBondContact O-N 3.08Å; S631-V635 WeakPolarHBondContact O-CG2 3.18Å; S631-V635 PolarHBondContact O-N 2.92Å; S631-V635 VanDerWaalsContact O-N 3.13Å
632A59.7Low63.9Low56 Ų56108.4 Ų108.446%0.46361%0.605SS.*Hα-helixtrans-59.9-47.4171.900000112.2S628 M629 K634 V635 T636S628-A632 WeakPolarHBondContact O-CB 3.44Å; S628-A632 PolarHBondContact O-N 2.87Å; M629-A632 PolarHBondContact O-N 2.64Å; A632-K634 PolarHBondContact O-N 2.85Å; A632-V635 PolarHBondContact O-N 3Å; A632-V635 VanDerWaalsContact O-N 3.08Å; A632-T636 PolarHBondContact O-N 2.89Å; A632-T636 VanDerWaalsContact O-N 3.1Å
633A58.8Low61.9Low59 Ų59112.6 Ų112.649%0.48862%0.622SS.*Hα-helixtrans-63.1-24.3176.100000113.5M629 T636M629-A633 VanDerWaalsContact O-CB 3.29Å; M629-A633 WeakPolarHBondContact O-CB 3.47Å; M629-A633 PolarHBondContact O-N 2.78Å; A633-T636 WeakPolarHBondContact CA-OG1 3.37Å; A633-T636 PolarHBondContact O-OG1 2.92Å
634K59.7Low59.8Low161 Ų161112.3 Ų112.370%0.763%0.628SS**Hα-helixtrans-81.9-23.3175.9-165.5174.2-177.3-178.80112.7V630 S631 A632V630-K634 VanDerWaalsContact O-CB 3.26Å; V630-K634 WeakPolarHBondContact O-CB 3.5Å; V630-K634 PolarHBondContact O-N 2.91Å; V630-K634 VanDerWaalsContact O-N 3.1Å; S631-K634 WeakPolarHBondContact O-CB 3.27Å; S631-K634 PolarHBondContact O-N 3.08Å; A632-K634 PolarHBondContact O-N 2.85Å
635V51.8Low57.7Low111 Ų111111.3 Ų111.367%0.67364%0.641SS**Hα-helixtrans-79.6-39.9172.2172.90000111.3S631 A632 L637 I638S631-V635 WeakPolarHBondContact O-CG2 3.18Å; S631-V635 PolarHBondContact O-N 2.92Å; S631-V635 VanDerWaalsContact O-N 3.13Å; A632-V635 PolarHBondContact O-N 3Å; A632-V635 VanDerWaalsContact O-N 3.08Å; V635-L637 PolarHBondContact O-N 2.93Å; V635-I638 PolarHBondContact O-N 2.77Å
636T51.5Low55.7Low109 Ų109109.7 Ų109.767%0.66965%0.647SS**Hα-helixtrans-66.5-17.4179.953.40000114.1A632 A633 I638A632-T636 PolarHBondContact O-N 2.89Å; A632-T636 VanDerWaalsContact O-N 3.1Å; A633-T636 WeakPolarHBondContact CA-OG1 3.37Å; A633-T636 PolarHBondContact O-OG1 2.92Å; T636-I638 VanDerWaalsContact C-N 3.27Å; T636-I638 PolarHBondContact O-N 3.2Å
637L45.1Very low53.5Low153 Ų153113.9 Ų113.980%0.80167%0.668SS**THydrogen-bonded Turntrans-78-2.3178.4-152.273000114.4V635V635-L637 PolarHBondContact O-N 2.93Å
638I43.8Very low51.2Low149 Ų149114 Ų11476%0.76468%0.678SS**THydrogen-bonded Turntrans-113.739.2-177.1-34.4-177000112.4V635 T636V635-I638 PolarHBondContact O-N 2.77Å; T636-I638 VanDerWaalsContact C-N 3.27Å; T636-I638 PolarHBondContact O-N 3.2Å
639R36.2Very low49.1Very low181 Ų181117.1 Ų117.168%0.68370%0.695SS**SBendtrans-127.4121.6163.7-168169.6-179.2135-2.4110.2E643R639-E643 PolarHBondContact NH2-O 3.18Å
640P36.7Very low47.1Very low103 Ų103116 Ų11667%0.66971%0.705SS**  trans-69.3151.7178.429.2-34.5000111.2G642P640-G642 VanDerWaalsContact C-N 3.34Å; P640-G642 PolarHBondContact O-N 2.69Å
641P48.2Very low44.9Very low147 Ų147116.8 Ų116.896%0.95571%0.714SS**SBendtrans-77.382.2-178.631.7-35.2000111.5
642G42.8Very low42.9Very low48 Ų48125 Ų12550%0.49574%0.736SS.*SBendtrans-162.7144.1170.800000109.6P640P640-G642 VanDerWaalsContact C-N 3.34Å; P640-G642 PolarHBondContact O-N 2.69Å
643E41.7Very low41.3Very low189 Ų189127.6 Ų127.688%0.88375%0.75SS**SBendtrans56.561.3172.3-59.7178.8-178.600114.7R639R639-E643 PolarHBondContact NH2-O 3.18Å
644A40.2Very low40Very low73 Ų73127.9 Ų127.960%0.60376%0.759SS**  trans-149.635.4167.600000112.7
645T42.1Very low38.5Very low149 Ų149128.6 Ų128.691%0.91477%0.769SS**SBendtrans-135.940.3178.7-35.20000111.9
646A38.4Very low37.6Very low80 Ų80127.9 Ų127.966%0.66178%0.775SS**SBendtrans-145.2158.8162.300000106.9
647I41.9Very low37Very low176 Ų176128.3 Ų128.390%0.90378%0.779SS**SBendtrans67.756.5-177.1-36.7172.6000113.7
648A35.8Very low36.1Very low96 Ų96129.9 Ų129.979%0.79378%0.782SS**SBendtrans-15011.9162.800000114.6
649T35.5Very low35.5Very low140 Ų140128.5 Ų128.586%0.85978%0.781SS**  trans-143.555.9-166.939.40000114.2
650A31.2Very low35.3Very low97 Ų97127.6 Ų127.680%0.80278%0.784SS**  trans-173.2137.8161.400000108.1
651S30.4Very low34.9Very low113 Ų113134.1 Ų134.179%0.7980%0.795SS**  cis-136.7164.6-4.5-49.40000107.1
652R28.9Very low34Very low235 Ų235130.5 Ų130.589%0.88779%0.785SS**  cis-166.7146.549.7-122.1-178.6171.4-164.5-5.4105.3
653S27.5Very low33.7Very low110 Ų110134 Ų13477%0.76980%0.799SS**  cis56.8110.446.5-168.20000113.2
654G29.9Very low33.2Very low65 Ų65137.1 Ų137.167%0.6780%0.803SS**  cis133.5147.83.900000111
655I29.6Very low32.8Very low177 Ų177140.2 Ų140.291%0.90881%0.814SS**  trans-166.3142.8168.1-98.7145.4000108.3
656A33.3Very low32.2Very low96 Ų96139.9 Ų139.979%0.79381%0.807SS**  trans-159148168.500000110.6
657P38.8Very low31.9Very low117 Ų117144.7 Ų144.776%0.7682%0.818SS**  trans-122.7133.6135.634.4-25.8000109.3
658E25.4Very low31.3Very low186 Ų186141.9 Ų141.987%0.86981%0.809SS**  84.6146.852.2-170.9164.5-172.900113.6
659V30.2Very low31Very low120 Ų120148 Ų14873%0.72781%0.812SS**  trans91.3125.3-168.5178.10000113.4
660Q32.2Very low30.8Very low163 Ų163149.1 Ų149.176%0.76281%0.807SS**  cis-157.7131.2-15-107.8174.340.900106.8
661R29Very low31Very low239 Ų239150.3 Ų150.390%0.90280%0.804SS**  -178.6148.191.6-96-178.4166123.4-5.1109.3
662G29.5Very low31.1Very low71 Ų71151.9 Ų151.973%0.73280%0.802SS**  trans-108.9-150.4164.800000111.5
663P36.4Very low31.1Very low122 Ų122149 Ų14979%0.79280%0.798SS**  cis-134.1158.3-14.639.4-24.6000113.7
664R30.2Very low31.4Very low255 Ų255154.6 Ų154.696%0.96280%0.803SS**  trans-137.2150.3156-80.5-163.4167173.2-2.8111.6
665T33.1Very low31.3Very low137 Ų137157.5 Ų157.584%0.8481%0.807SS**  trans-105.8154.7-154.445.70000114.8
666N29Very low31.3Very low142 Ų142159.9 Ų159.976%0.75981%0.806SS**  trans-48.4142.4171.5-69.8-74.9000114
667M31.1Very low31.4Very low182 Ų182163.7 Ų163.790%0.89781%0.805SS**  -144147.7122.4-91.1-52.714800110.8
668T30.6Very low31.4Very low117 Ų117164.3 Ų164.372%0.71881%0.809SS**  trans-94.6140.4-167.650.30000113.7
669R29.5Very low31.6Very low224 Ų224158.9 Ų158.985%0.84580%0.804SS**  trans-115.9100.4166.8-161.5179.9-151.6-79.31.1111
670Q30.9Very low31.6Very low164 Ų164160.4 Ų160.477%0.76681%0.813SS**  trans-70.1136.7175.3-62.9-169.49.900111.1
671V35Very low31.6Very low121 Ų121155.8 Ų155.873%0.73381%0.809SS**  trans-112.5108.9169.8177.20000108.1Q673V671-Q673 VanDerWaalsContact C-N 3.33Å; V671-Q673 PolarHBondContact O-N 3.05Å
672I32.5Very low31.7Very low146 Ų146153.9 Ų153.975%0.74981%0.811SS**  trans-78.784.1178.9-56.5176.5000109R674I672-R674 PolarHBondContact O-N 2.94Å
673Q30.2Very low31.8Very low174 Ų174159.2 Ų159.281%0.81382%0.816SS**  trans-76.5109.9168.4-169.4171.97.800109V671 V675V671-Q673 VanDerWaalsContact C-N 3.33Å; V671-Q673 PolarHBondContact O-N 3.05Å; Q673-V675 PolarHBondContact O-N 2.98Å; Q673-V675 VanDerWaalsContact O-N 3.11Å
674R32.1Very low31.5Very low229 Ų229161.4 Ų161.486%0.86482%0.819SS**  trans-69.1109.3179.4-73-172.2177.6-168.1-0.5110.6I672 Y676I672-R674 PolarHBondContact O-N 2.94Å; R674-Y676 PolarHBondContact O-N 3.4Å
675V29.5Very low31.5Very low126 Ų126153.5 Ų153.576%0.76481%0.809SS**  trans-61.6126.7168.1178.10000109.4Q673 K677Q673-V675 PolarHBondContact O-N 2.98Å; Q673-V675 VanDerWaalsContact O-N 3.11Å; V675-K677 HydrophobicContact CG1-CG 4.43Å
676Y28.8Very low31.8Very low226 Ų226152.1 Ų152.189%0.88680%0.802SS**  trans-115.8115.7165.4-139.3-87.5000108R674R674-Y676 PolarHBondContact O-N 3.4Å
677K34.9Very low31.7Very low176 Ų176151.7 Ų151.777%0.76581%0.805SS**  trans-80.7149.7173.1-81.9-170.4173.8-175.40110.1V675V675-K677 HydrophobicContact CG1-CG 4.43Å
678P39.5Very low31.7Very low130 Ų130148.3 Ų148.384%0.84480%0.799SS**  trans-70.9147.8-176.929.6-35.6000112.2
679G28.8Very low32.3Very low73 Ų73148.1 Ų148.175%0.75380%0.8SS**  trans-126.1137.7169.700000110.1G681G679-G681 PolarHBondContact O-N 2.96Å
680T30.7Very low32.4Very low152 Ų152142 Ų14293%0.93380%0.797SS**  trans-79121.3-164.6-47.40000113.7
681G32.1Very low32.3Very low65 Ų65138.4 Ų138.467%0.6780%0.804SS**  trans29.8127.5148.700000122.2G679G679-G681 PolarHBondContact O-N 2.96Å
682Q31.6Very low32.1Very low200 Ų200136.4 Ų136.494%0.93581%0.808SS**  -154.6160.8118.1-116.8176-3.900111.3
683E31.7Very low32.5Very low182 Ų182137.2 Ų137.285%0.8581%0.813SS**  trans-68.3152.2172.3-59.5-177.6112.800111.4
684I30.4Very low32.9Very low168 Ų168135.7 Ų135.786%0.86281%0.81SS**  trans-171.1114.3130.5-93.4147.8000108.3
685A29.2Very low33.5Very low89 Ų89133 Ų13374%0.73681%0.805SS**  trans-92.9155.9142.500000106.3
686P38.7Very low34.2Very low108 Ų108137.4 Ų137.470%0.70181%0.808SS**  cis-150.4-143.639.440.5-16.4000114.2
687T28.6Very low34.4Very low133 Ų133134.7 Ų134.782%0.81681%0.808SS**  trans92.799.4167.270.10000118.8
688S31.2Very low34.5Very low111 Ų111136 Ų13678%0.77681%0.814SS**  trans-94.8165.3137.6-162.30000106.8
689P43.2Very low34.2Very low114 Ų114140.6 Ų140.674%0.7481%0.814SS**  cis-138.7-163.611.943.6-24.4000115.4
690A30.4Very low34.5Very low95 Ų95145.5 Ų145.579%0.78582%0.823SS**  trans78.5101.7151.600000120.7
691G28.3Very low34.5Very low88 Ų88142.8 Ų142.891%0.90782%0.815SS**  70.5105.2119.200000120
692G30.9Very low34.6Very low79 Ų79144.3 Ų144.381%0.81482%0.821SS**  trans-162.6133.3165.100000111.8
693L41.8Very low34.6Very low163 Ų163144 Ų14485%0.85382%0.822SS**  trans-71.2147.2172.7-70.4161.1000110.3
694D38.2Very low34.5Very low143 Ų143139 Ų13977%0.76582%0.82SS**  trans-152.4148.4134.7-136.9-16.6000113.9
695K44.1Very low34.4Very low173 Ų173134.4 Ų134.475%0.75281%0.814SS**  trans-107.9111.4-173.5-61.9170.5-174.11680110.4
696R44.2Very low34.7Very low217 Ų217140 Ų14082%0.81982%0.822SS**  trans-111.1102.4171.2-64.9-167.7-177.5-166.71.5111.6
697L33.9Very low35.6Very low170 Ų170140 Ų14089%0.8982%0.821SS**  trans-75.5119173.4-69.8161.9000109.8R699L697-R699 PolarHBondContact O-N 2.75Å
698F37.9Very low35.6Very low203 Ų203141.5 Ų141.589%0.8982%0.824SS**  trans-85.7105.3160.7-77.5-78.2000109.2L700F698-L700 PolarHBondContact O-N 3.15Å
699R32.5Very low35.6Very low227 Ų227139.5 Ų139.586%0.85782%0.821SS**  trans-75.7108175.5177.6-175.9-69.7-176.4-1.8109.1L697 A701L697-R699 PolarHBondContact O-N 2.75Å; R699-A701 PolarHBondContact O-N 2.95Å
700L34.4Very low34.9Very low176 Ų176141.5 Ų141.592%0.92183%0.826SS**  trans-63.2123.6158.7-70.4171.9000108.4F698F698-L700 PolarHBondContact O-N 3.15Å
701A30.7Very low34.9Very low94 Ų94144.9 Ų144.978%0.77783%0.83SS**  trans-118.2121.5171.100000108.1R699R699-A701 PolarHBondContact O-N 2.95Å
702A34Very low34.8Very low97 Ų97145.7 Ų145.780%0.80282%0.821SS**  trans-131.9105.2176.900000109.1
703M32.7Very low34.6Very low194 Ų194146 Ų14696%0.95682%0.816SS**  trans-149.4144.3170.3-65.6-67-71.600105
704G29.1Very low33.9Very low77 Ų77144.1 Ų144.179%0.79481%0.812SS**  cis179.6140.3-5.100000105.9
705G28.9Very low33.4Very low71 Ų71145 Ų14573%0.73281%0.811SS**  trans-119-179.3-161.900000116.9
706K34.8Very low32.8Very low208 Ų208143.6 Ų143.690%0.90481%0.807SS**  trans78.3171.4173.2-44.8-174.1177.3-172.80114.7
707P58.6Low32.1Very low107 Ų107141 Ų14170%0.69581%0.808SS**  -136.7-179.3-76.341.4-25.2000113.5
708N28.6Very low31.8Very low165 Ų165137.8 Ų137.888%0.88279%0.791SS**  trans158.1156.8143.2-78.9-17.2000110.2
709G29.8Very low31.4Very low68 Ų68138.3 Ų138.370%0.70179%0.787SS**  trans-163.5-72.4-172.900000117.9
710N29.4Very low31.3Very low157 Ų157136 Ų13684%0.8478%0.783SS**  trans68.4168.3-178.3-68.4-0.7000118.6
711L30.7Very low31Very low166 Ų166132.9 Ų132.987%0.86977%0.768SS**  trans79.6147.1171-48.5178000117.5
712S26.6Very low30.9Very low105 Ų105133.4 Ų133.473%0.73477%0.765SS**  cis-172149-35.1-161.70000110
713A25.1Very low30.7Very low85 Ų85135.7 Ų135.770%0.70277%0.769SS**  trans64158.2159.300000117.5
714T27.7Very low30.4Very low124 Ų124133.7 Ų133.776%0.76176%0.762SS**  cis-155.4164.1-11.74.10000111.6
715Q27.7Very low30.4Very low161 Ų161134.4 Ų134.475%0.75276%0.755SS**  trans-14.3168.9149-74.7-179.3-73.500120.7
716E30.3Very low30.5Very low143 Ų143137 Ų13767%0.66875%0.753SS**  cis167109-18.6176.2-170.7160.300107.9
717I29.8Very low30.2Very low163 Ų163136 Ų13684%0.83675%0.75SS**  trans-152.5131.7177.3-66.5-171.7000108
718L28.9Very low28.6Very low103 Ų103135.7 Ų135.754%0.53975%0.751SS.*  cis-167.8151.6-16.6-138.764000109
719R28.9Very low28.5Very low214 Ų214132.7 Ų132.781%0.80874%0.738SS**  trans17.4124.3151.1-51.2160-154.9151.27.2117.9
720K31.1Very low28.5Very low177 Ų177136 Ų13677%0.7774%0.744SS**  -171.4172.966.9-92.2-170.5137-109.20108.9
721D28.1Very low28.3Very low112 Ų112136.2 Ų136.260%0.59974%0.738SS**  cis-151.1170.3-2.7-99.8-21.6000107.2
722S27.5Very low28.2Very low104 Ų104134.8 Ų134.873%0.72774%0.736SS**  cis92.672.817-163.50000118.5
723V29.9Very low28.1Very low146 Ų146132.9 Ų132.989%0.88573%0.727SS**  trans-140.8159.4144.2-174.90000109
724D26.7Very low28.2Very low151 Ų151135.5 Ų135.581%0.80773%0.728SS**  trans-79.7163.6-153.5-73.9-76.5000121.5
725S28.3Very low28.3Very low92 Ų92137 Ų13764%0.64373%0.727SS**  trans-58.3172.6163.6-170.80000116.7
726N30.8Very low29Very low127 Ų127133 Ų13368%0.67972%0.721SS**  trans101.9138.5150.2-51-47000119.1
727H29.2Very low29.3Very low186 Ų186132.4 Ų132.486%0.86173%0.729SS**  trans65.7155162.2-65.1-56.6000116.7
728S25.1Very low29.7Very low101 Ų101131.5 Ų131.571%0.70673%0.731SS**  cis-154.7162.3-14.9-173.60000111.5
729V27.4Very low29.6Very low102 Ų102130.2 Ų130.262%0.61874%0.744SS**  trans-13.7119.5157.1-177.40000118.4K731V729-K731 HydrophobicContact CG1-CB 3.56Å; V729-K731 HydrophobicContact CG1-CD 3.76Å; V729-K731 HydrophobicContact CG1-CG 4.29Å
730V29.9Very low29.3Very low136 Ų136125 Ų12582%0.82474%0.739SS**  -153.8124.2116.6-1770000106.7
731K24.7Very low29.9Very low163 Ų163122.6 Ų122.671%0.70974%0.742SS**  cis8769.33.5-144.7-172-171.1-174.30118.7V729V729-K731 HydrophobicContact CG1-CB 3.56Å; V729-K731 HydrophobicContact CG1-CD 3.76Å; V729-K731 HydrophobicContact CG1-CG 4.29Å
732V28.6Very low30.2Very low136 Ų136127.1 Ų127.182%0.82476%0.757SS**  trans-126.8101.1135.4-177.60000104.8
733A24.9Very low30.4Very low65 Ų65125.8 Ų125.854%0.53776%0.759SS.*  65.8141.658.800000111.9
734N26.7Very low30.5Very low139 Ų139124 Ų12474%0.74376%0.76SS**  cis-163.8158.1-4.3-111.73.4000107.4
735H30Very low30.7Very low157 Ų157121.3 Ų121.373%0.72776%0.759SS**  cis-156.4147.2-5.9-157.2-70.2000108.1
736A41.1Very low30.7Very low75 Ų75123.4 Ų123.462%0.6277%0.767SS**  trans-87.1143.1167.700000111.1
737P37.1Very low30.7Very low131 Ų131123.5 Ų123.585%0.85177%0.772SS**  trans-107.1103.5164.333.8-25.8000111.5
738T39.4Very low30.6Very low144 Ų144119.1 Ų119.188%0.88377%0.768SS**  trans-87.4136.7162.446.60000110.8
739G25.3Very low30.8Very low77 Ų77118.4 Ų118.479%0.79477%0.769SS**  trans179.1149.2166.500000110.7
740S23.7Very low30.9Very low103 Ų103121.1 Ų121.172%0.7278%0.778SS**  cis-165.1139.5-7.5177.60000109.4
741P42.8Very low31.1Very low128 Ų128124.8 Ų124.883%0.83178%0.777SS**  trans-113.4114.8161.133.6-22.6000111.2
742K34.6Very low32Very low207 Ų207123.1 Ų123.190%0.978%0.782SS**  trans-104.6108.3164.1-90.7-172.9173.3-179.50110
743G31.3Very low32.2Very low76 Ų76125.1 Ų125.178%0.78478%0.783SS**  trans-120.3135160.700000108.7
744A33.4Very low32.3Very low108 Ų108125.6 Ų125.689%0.89379%0.794SS**  trans-82.8166.7-175.900000112.8
745A29.7Very low32.3Very low95 Ų95123.8 Ų123.879%0.78579%0.793SS**  trans-72.4163-17600000114.1
746V28.9Very low32.5Very low136 Ų136123.8 Ų123.882%0.82480%0.797SS**  trans-168.8122.5132.8138.10000112.2
747V30.6Very low32.2Very low128 Ų128127.5 Ų127.578%0.77681%0.805SS**  trans50.1104142.6-171.10000122.5
748A28.1Very low31.9Very low94 Ų94128.2 Ų128.278%0.77780%0.801SS**  64.1136.4123.600000126.5
749A28Very low31.8Very low87 Ų87126 Ų12672%0.71979%0.792SS**  trans91.5103.113100000124.2
750I30.6Very low32.1Very low158 Ų158131.6 Ų131.681%0.8180%0.795SS**  70.4100.1129-54.8170.8000120.6
751R34.1Very low32.5Very low214 Ų214136.5 Ų136.581%0.80880%0.803SS**  48.9122.9127.4-161.8169.7-155.5-143.17.2120.1
752P42.3Very low32Very low127 Ų127133.9 Ų133.983%0.82580%0.8SS**  -144.4-178.2103.439.5-25000116.2
753Q33.3Very low31.8Very low178 Ų178133.2 Ų133.283%0.83280%0.8SS**  trans-101.6156.4167.3-68.9-175.2-14.800111.2
754G27.4Very low31.8Very low75 Ų75133.1 Ų133.177%0.77380%0.799SS**  trans115.2143.8137.800000119.9
755S27.3Very low31.9Very low102 Ų102135.6 Ų135.671%0.71380%0.797SS**  trans50.9115.8138.7-172.30000123
756L34.6Very low31.9Very low156 Ų156134.6 Ų134.682%0.81780%0.796SS**  trans52151.9135.6-56.1172000122.6
757I33.3Very low32.9Very low153 Ų153133.6 Ų133.679%0.78579%0.793SS**  trans122.3125.8147.9-62161.1000117.8
758N32.1Very low33.1Very low146 Ų146133.6 Ų133.678%0.78179%0.793SS**  trans28.7140.1155.3-68.8-6.4000127.4
759S35.5Very low33.2Very low98 Ų98136.3 Ų136.369%0.68580%0.8SS**  trans13151.9130.4-420000123.5
760F32.4Very low33.5Very low194 Ų194136.9 Ų136.985%0.85181%0.805SS**  -167.8-177113.2-122.7-95.1000115
761F32.9Very low33.6Very low206 Ų206139.7 Ų139.790%0.90481%0.811SS**  trans78.2133.3-175.1-57.3-76.5000116.3
762G30.8Very low33.4Very low74 Ų74133.5 Ų133.576%0.76381%0.814SS**  cis-162.5164.2-2.200000113.3
763Q31.2Very low32.9Very low193 Ų193132.2 Ų132.290%0.90281%0.814SS**  trans-97.4171.6-159-60.6169.5-84.500117.5
764G31.2Very low33Very low74 Ų74128 Ų12876%0.76381%0.809SS**  trans-172138.315700000113.6
765N34.9Very low33.3Very low160 Ų160129.6 Ų129.686%0.85681%0.809SS**  trans-107141.3179.3-57.8-44.8000110
766G30.4Very low33.7Very low74 Ų74132.6 Ų132.676%0.76381%0.811SS**  94.2152.182.100000111.9
767P49.6Very low33.4Very low115 Ų115131.4 Ų131.475%0.74781%0.806SS**  cis-136.6168.55.542.8-25000118.1
768T35.5Very low33.3Very low127 Ų127131 Ų13178%0.77980%0.804SS**  trans50.6112.3149.152.40000124
769T30Very low33.4Very low152 Ų152135.3 Ų135.393%0.93381%0.809SS**  -159156111.69.90000109.8
770A35.1Very low33.2Very low98 Ų98135 Ų13581%0.8181%0.812SS**  trans-119.1125.5-154.500000117.2
771K31.8Very low33.1Very low218 Ų218134.3 Ų134.395%0.94881%0.814SS**  trans-166.3134.5133.2-105.3164.2-176.71750109.1
772G30.6Very low33.1Very low84 Ų84130.4 Ų130.487%0.86681%0.812SS**  trans-97.3160.2-154.400000118.1
773A31.5Very low33.7Very low100 Ų100136.8 Ų136.883%0.82681%0.813SS**  trans-161.2168.216900000110.1
774A34.9Very low34.2Very low88 Ų88139.2 Ų139.273%0.72781%0.814SS**  trans66.1131.5179.900000115.3
775S34.6Very low34.2Very low109 Ų109144.9 Ų144.976%0.76281%0.814SS**  cis70.6137.549.7770000113.2
776E34Very low34.3Very low165 Ų165142.3 Ų142.377%0.77181%0.808SS**  cis-150.3164.938.7-51.4171.6110.300114
777N29.4Very low34.5Very low132 Ų132145.6 Ų145.671%0.70681%0.813SS**  175.8122.4114.8-100.3-74.9000117.7
778I30.3Very low33.6Very low144 Ų144146 Ų14674%0.73882%0.818SS**  37.1104.8129.3-55.5-176.5000121.9
779R34.7Very low33.3Very low236 Ų236143.4 Ų143.489%0.89182%0.816SS**  44.2126.9126.7178.2-167.1-84.9-129.4-1.6122.3
780A31.8Very low33.4Very low91 Ų91141.8 Ų141.875%0.75281%0.811SS**  trans159.3148132.600000110.6
781M31Very low33.1Very low181 Ų181142.7 Ų142.789%0.89281%0.811SS**  cis-150.3160.9-19.8-81.8-150.5-64.500107.7
782S32Very low33.1Very low123 Ų123139.7 Ų139.786%0.8681%0.805SS**  trans-166.2161.4134-162.80000112.3
783R42.7Very low34.6Very low209 Ų209141 Ų14179%0.78980%0.798SS**  trans-120.3142.1174-61.5179.8178.2-160.71.8110.1
784R41.4Very low35.2Very low243 Ų243142 Ų14292%0.91780%0.797SS**  trans-176.9-179.1131.7-99.2155.8-166.7-92.21.2111.8
785Y32.6Very low34.9Very low194 Ų194145.6 Ų145.676%0.76180%0.804SS**  trans-111.2154-153.4-70.9-102.6000114.3
786S37.1Very low34.9Very low106 Ų106145 Ų14574%0.74181%0.806SS**  trans41.4138.7139.5-52.70000122.2
787V33.5Very low34.9Very low143 Ų143146.2 Ų146.287%0.86781%0.811SS**  170.2159111.4156.60000110.1
788C30.3Very low35Very low124 Ų124147.1 Ų147.184%0.83882%0.816SS**  trans-95.1160.1-170.5-46.70000114.4
789G30.5Very low35.1Very low72 Ų72144.2 Ų144.274%0.74281%0.814SS**  116.5101.2115.200000121.1
790S32.2Very low34.9Very low117 Ų117137.2 Ų137.282%0.81880%0.801SS**  53.8112.2129.4-1660000121.9
791S29Very low35Very low118 Ų118142.3 Ų142.383%0.82581%0.809SS**  trans-156.9138.8142.554.30000112.3
792N31.6Very low35Very low154 Ų154137.4 Ų137.482%0.82481%0.805SS**  trans-101179.1179.8-97.3-11.3000111.7
793P60.7Low34.9Very low111 Ų111137.5 Ų137.572%0.72181%0.806SS**  cis-109.3-90.2-3.917.17.1000114.1
794P45.5Very low34.6Very low123 Ų123131.6 Ų131.680%0.79980%0.802SS**  cis-107.7-135-343.5-32.4000113.6
795N28.4Very low34.1Very low163 Ų163128.1 Ų128.187%0.87280%0.801SS**  trans-101.9142.8-174.4-109.6-16.5000113.5
796A34.7Very low34.2Very low97 Ų97121.3 Ų121.380%0.80279%0.79SS**  -165144125.600000112.7
797Q34.1Very low34Very low190 Ų190121 Ų12189%0.88879%0.788SS**  trans-55.8177.3174-68.3154.1-37.100114.7
798N30Very low34.1Very low150 Ų150120 Ų12080%0.80278%0.783SS**  cis173.4162.9-27.3-174.515.8000105.8
799A32.4Very low34.6Very low84 Ų84120.7 Ų120.769%0.69478%0.776SS**  trans65.5154.4167.700000117.7
800S31.5Very low34.6Very low89 Ų89124 Ų12462%0.62278%0.777SS**  cis-170.6153.1-24.455.70000111.8
801Q34Very low34.7Very low197 Ų197122.4 Ų122.492%0.92177%0.766SS**  trans66.1161.6164.2-60.4168.123.600115.3
802G30.6Very low34.7Very low78 Ų78124.5 Ų124.580%0.80477%0.768SS**  cis-168.7156-5.600000110.5
803S29.4Very low34.8Very low125 Ų125122.5 Ų122.587%0.87477%0.772SS**  trans-108.1137.2-173.1177.90000113
804A36.9Very low33.4Very low85 Ų85122.5 Ų122.570%0.70278%0.775SS**  trans-171.7140138.800000111.8
805N32.2Very low32.7Very low171 Ų171121.1 Ų121.191%0.91477%0.774SS**  trans-88.3147.9162.5-91.7-30000110.5
806G32.8Very low32.8Very low51 Ų51122 Ų12253%0.52678%0.775SS.*  trans-110.1166.8163.100000110.8
807S34.5Very low32.7Very low99 Ų99126.2 Ų126.269%0.69278%0.778SS**  trans-135.6149.1-165.51770000113.6
808T35.3Very low32.6Very low123 Ų123121.4 Ų121.476%0.75577%0.771SS**  trans65.3167.515639.40000115.6
809I40.6Very low32.7Very low138 Ų138119.2 Ų119.271%0.70877%0.767SS**  cis-154.8-172.113.6-143.1155.9000111.5
810N30.3Very low32.6Very low142 Ų142122.7 Ų122.776%0.75977%0.771SS**  trans76148.5164.8-81.5-7.6000120.2
811S33.9Very low32.9Very low83 Ų83124.8 Ų124.858%0.5878%0.775SS**  cis-169.5156.2-28.643.90000112.3
812N29.2Very low32.9Very low162 Ų162122.8 Ų122.887%0.86676%0.763SS**  trans48.6109150.9-57.5-5.9000121.6
813A33.2Very low33.2Very low111 Ų111127.3 Ų127.392%0.91776%0.756SS**  trans-155.8156.4136.500000109.4
814S32.7Very low33.6Very low112 Ų112131.5 Ų131.578%0.78375%0.752SS**  trans-113.6145.1-169.856.90000114.7
815A29.7Very low33.4Very low93 Ų93133.9 Ų133.977%0.76975%0.753SS**  trans44.3126.6143.700000121.9
816M31.7Very low33.5Very low181 Ų181132.7 Ų132.789%0.89275%0.745SS**  trans71.8125.5150.7-87.6176.5166.100121.3
817E31.7Very low33.4Very low186 Ų186134.6 Ų134.687%0.86976%0.756SS**  trans64.9-175.9155-55.1-139130.500118.7
818A32.3Very low33.4Very low89 Ų89134.7 Ų134.774%0.73676%0.762SS**  trans52.373.2-172.700000114.7
819S30.9Very low33.3Very low104 Ų104132 Ų13273%0.72776%0.759SS**  74.615179.185.20000115.4
820M31.2Very low33Very low158 Ų158135 Ų13578%0.77877%0.769SS**  trans65.3123.4167.6-67.5-152.1-68.600120.8
821L37.9Very low33.3Very low133 Ų133131.7 Ų131.770%0.69677%0.769SS**  trans66136.3142.1-84.575.2000118.7
822K35Very low33.2Very low154 Ų154135.6 Ų135.667%0.6778%0.78SS**  cis128.5122.314.7163.9179.5-178.5175.50107.9
823R36.7Very low33.6Very low174 Ų174133 Ų13366%0.65777%0.77SS**  trans97.4122.7168.2-74.1168.7-70.2-155.20.7118.7
824R36.5Very low34.7Very low213 Ų213132.1 Ų132.180%0.80476%0.755SS**  trans73.4157.5136.1-63.7169.7179.1179-3.6118.2
825L33.3Very low35.5Very low135 Ų135132.9 Ų132.971%0.70776%0.757SS**  cis-168.1147.1-29.9-104.4174.1000107.3
826I34.3Very low35.7Very low146 Ų146134.2 Ų134.275%0.74976%0.756SS**  trans70.2127.9149.6-63.4162.7000120.4
827A30.2Very low35.8Very low91 Ų91134 Ų13475%0.75275%0.753SS**  trans-14.2167.1148.600000121.9
828A34.5Very low36.3Very low101 Ų101136.2 Ų136.284%0.83575%0.753SS**  cis-175.5167.2-15.100000112.9
829G33.9Very low37.2Very low67 Ų67137.1 Ų137.169%0.69175%0.751SS**  trans92.5165.1165.400000116.5
830H33.6Very low37.5Very low199 Ų199142.3 Ų142.392%0.92176%0.755SS**  cis-169133.9-14.8-128.966.6000110
831G35.9Very low37.5Very low73 Ų73144.6 Ų144.675%0.75376%0.757SS**  trans80.3167.9170.900000118
832M32.9Very low37.2Very low166 Ų166143.2 Ų143.282%0.81876%0.758SS**  cis-162.5135.4-11.1-99.6-63-83.400112.6
833V38.1Very low37.2Very low107 Ų107140.2 Ų140.265%0.64876%0.762SS**  trans58.4141.1150.6166.80000123
834P55.9Low37Very low92 Ų92139.1 Ų139.160%0.59777%0.774SS**  trans-114.4-175.3-178.944.4-36.6000115.5
835P48.8Very low36.7Very low129 Ų129132.3 Ų132.384%0.83877%0.77SS**  trans-136.2178142.638.3-24.6000116.8
836T34.9Very low36.8Very low121 Ų121130.2 Ų130.274%0.74277%0.773SS**  trans-96.4177.5-158.152.60000118.3
837Q34.3Very low36.9Very low176 Ų176128.1 Ų128.182%0.82277%0.771SS**  trans104.1153.2156.1-61.7-17143.800116.7
838R40.3Very low37Very low233 Ų233130.7 Ų130.788%0.87977%0.767SS**  cis-162.8178.1-32.8-118.1-161.1160.9-178.4-4107.6
839P51.3Low37Very low107 Ų107133 Ų13370%0.69576%0.763SS**  trans-111.7-179.1-161.143.3-39.2000116.7
840R37.2Very low36.8Very low214 Ų214134.6 Ų134.681%0.80876%0.759SS**  trans168.2128135.3-88.9-173.3174-169.7-2.6111.1
841Y31.3Very low36.6Very low206 Ų206131.8 Ų131.881%0.80876%0.756SS**  62.3144.8104.2-61.1-40.7000117.1
842S33.2Very low36.3Very low104 Ų104132.7 Ų132.773%0.72776%0.756SS**  cis-179167.9-10.251.20000113
843A34.6Very low36.1Very low90 Ų90130 Ų13074%0.74475%0.753SS**  trans82.515815100000119.9
844V31.4Very low35.8Very low151 Ų151133.9 Ų133.992%0.91577%0.765SS**  cis-165.5149.5-26.3137.30000107.9
845G31.6Very low34.6Very low70 Ų70132.9 Ų132.972%0.72277%0.771SS**  trans169117.6160.700000116.5
846A33.9Very low33.8Very low92 Ų92132.6 Ų132.676%0.7677%0.772SS**  trans26.2125.3157.700000120
847S36.5Very low33.7Very low101 Ų101131.9 Ų131.971%0.70677%0.772SS**SBendcis-158.4154.212.2-83.50000112.1
848Q33.3Very low33.8Very low145 Ų145130.5 Ų130.568%0.67877%0.77SS**  cis-179.9140.4-22.8-111.2-175.991.400104.9
849M35.3Very low33.6Very low151 Ų151126 Ų12674%0.74476%0.762SS**  cis-137.4137.8-10.9-80.4-163.1158.400106.9
850T29.1Very low32.8Very low100 Ų100126.5 Ų126.561%0.61376%0.763SS**  cis81.997.24467.70000116.8
851T29.7Very low33Very low139 Ų139127.9 Ų127.985%0.85377%0.768SS**  trans70.3172.2138.668.30000117
852A28.9Very low33.1Very low92 Ų92127 Ų12776%0.7677%0.769SS**  cis-153.6-177.914.100000115.5
853S28.4Very low33.1Very low109 Ų109127 Ų12776%0.76277%0.769SS**  trans-40.1163167.8178.50000117.5
854Q33Very low32.9Very low190 Ų190129.3 Ų129.389%0.88877%0.773SS**  trans-48150.6160.9-54.6179.3-100113.3
855G31.1Very low32.8Very low71 Ų71125.5 Ų125.573%0.73277%0.765SS**  trans163.689.1161.800000117.1
856S31.7Very low32.7Very low123 Ų123127.8 Ų127.886%0.8677%0.768SS**  trans35.2112.8144.5-53.80000122.1
857S32.5Very low32.7Very low106 Ų106129.8 Ų129.874%0.74177%0.77SS**  trans49.6120.5133.8-160.40000121.1
858L35.5Very low33.1Very low146 Ų146130.3 Ų130.376%0.76477%0.771SS**  179.2141.5103.2-90.3170000113.4
859L36.6Very low33.1Very low139 Ų139128 Ų12873%0.72878%0.777SS**  trans61.1100.2147.5-62.1168.9000123.6
860V34.5Very low32.9Very low118 Ų118131 Ų13172%0.71578%0.782SS**  59.3103.9118.5-179.90000120.8
861R40.3Very low33Very low243 Ų243135.6 Ų135.692%0.91780%0.796SS**  174118.4129.9-89.7150.1-160-124.35.6106.8
862K34Very low33.3Very low187 Ų187136.8 Ų136.881%0.81379%0.79SS**  cis99.4106.137.5-175.1173178177.60112.7
863S33Very low33.4Very low104 Ų104139.7 Ų139.773%0.72779%0.787SS**  trans68.9160157.674.40000117.8
864V31Very low33.8Very low139 Ų139141.1 Ų141.184%0.84279%0.785SS**  cis-144.5144.94.2-169.90000110.2
865G30Very low33.9Very low71 Ų71137.3 Ų137.373%0.73278%0.779SS**  trans66-177.9150.400000119.2
866C27.7Very low34.5Very low117 Ų117139.9 Ų139.979%0.79178%0.783SS**  cis-160.9124.8-17.8-147.50000112.8
867V34.3Very low34.7Very low134 Ų134140.8 Ų140.881%0.81278%0.784SS**  trans68.3154140.6165.90000118.7
868P46Very low34.6Very low112 Ų112139.4 Ų139.473%0.72779%0.786SS**  trans-110.2-164.3-148.243.5-34.5000114.7
869A32.3Very low34.4Very low96 Ų96136 Ų13679%0.79379%0.787SS**  -165.1169.390.200000114.5
870Y31.6Very low34.2Very low216 Ų216134.5 Ų134.585%0.84779%0.794SS**  trans-101.2154.7172.6-76.7-105.4000111.6
871Q30.4Very low34.3Very low195 Ų195133.9 Ų133.991%0.91180%0.795SS**  -154160.8129.9-139.2168.6-5.200113.4
872K36.4Very low34.1Very low165 Ų165129 Ų12972%0.71779%0.786SS**  trans-102.6-173.1169-57.3177.3-177.6176.10107.6
873Q31.3Very low34.3Very low153 Ų153127 Ų12772%0.71578%0.783SS**  cis-174.7137.328.8-155.1159-58.900112.5
874I36.4Very low34.5Very low139 Ų139130.2 Ų130.271%0.71379%0.787SS**  trans50.9125.2140.7-59.8175.7000122.9
875S35.7Very low34.9Very low110 Ų110131.8 Ų131.877%0.76978%0.783SS**  trans68.1163.2151.9-68.10000120.5
876P43.1Very low34.9Very low125 Ų125135.1 Ų135.181%0.81279%0.789SS**  cis-126.9-154544.9-29000115
877T36.5Very low35.4Very low142 Ų142134.5 Ų134.587%0.87178%0.783SS**  trans-80.9130.5-170.8-48.90000115.8
878G30.2Very low35.2Very low76 Ų76136.9 Ų136.978%0.78479%0.786SS**  trans69.6119.6133.900000122.9
879G30.2Very low34.4Very low76 Ų76139.6 Ų139.678%0.78479%0.792SS**  109.8111128.200000120.4
880A33.4Very low34.6Very low106 Ų106139.6 Ų139.688%0.87679%0.793SS**  trans58.9179.4162.200000115.3
881S36Very low34.5Very low106 Ų106134.5 Ų134.574%0.74179%0.789SS**  cis-150.9-159.1-0.6-143.50000107.8
882L36.1Very low34.5Very low139 Ų139131.3 Ų131.373%0.72878%0.782SS**  cis-153.9146.82.5-136.6-173.5000109.1
883L39.7Very low34.3Very low145 Ų145132.8 Ų132.876%0.75979%0.791SS**SBendtrans-157.3107.7163.6-142.9175.2000105.2K885L883-K885 HydrophobicContact CD2-CG 4.09Å; L883-K885 HydrophobicContact CG-CG 4.37Å
884Q36.5Very low34.2Very low172 Ų172128.8 Ų128.880%0.80479%0.792SS**SBendcis-49.2165.320.2-65.7167.1-46.300118.6
885K38.4Very low33.9Very low172 Ų172128.1 Ų128.175%0.74880%0.799SS**  trans-124.4141.6-160.7-62.9169.6175.2173.50113.6L883L883-K885 HydrophobicContact CD2-CG 4.09Å; L883-K885 HydrophobicContact CG-CG 4.37Å
886T29.8Very low33.9Very low142 Ų142126.4 Ų126.487%0.87179%0.792SS**  trans-144.3154.4131.421.20000108.6
887P39.6Very low33.4Very low103 Ų103130 Ų13067%0.66980%0.795SS**  trans-112.5156.3-151.139.7-32.7000116.3
888Q29Very low33.1Very low184 Ų184130.5 Ų130.586%0.8679%0.793SS**  trans48.9133.1145.5-60.7171.7-22.400118.6
889I30.6Very low33.1Very low169 Ų169133.6 Ų133.687%0.86779%0.791SS**  -168.8166.579.7-80.3155.3000107.9
890A34.8Very low33.1Very low97 Ų97139.2 Ų139.280%0.80279%0.794SS**  trans-116.2139.9-179.200000115.2
891S31.2Very low33.1Very low109 Ų109138.1 Ų138.176%0.76279%0.785SS**  trans-159.7139.4166.241.40000107.4
892V30.5Very low32.8Very low128 Ų128142.3 Ų142.378%0.77679%0.793SS**  cis93.7135.344.3170.20000112.4
893Q32.3Very low32.6Very low195 Ų195141.6 Ų141.691%0.91180%0.797SS**  trans70.6146.2-170.5-62.8165.1-92.800115.9
894G29.3Very low31.9Very low70 Ų70144.4 Ų144.472%0.72280%0.803SS**  cis162.6136-13.700000115
895S29.8Very low31.9Very low124 Ų124141.8 Ų141.887%0.86780%0.801SS**  trans47.4118.6155.8178.10000121.1
896A34.7Very low31.3Very low75 Ų75138.4 Ų138.462%0.6281%0.805SS**  -170.4158.8111.100000113.4
897F33.2Very low31.1Very low200 Ų200135.8 Ų135.888%0.87780%0.797SS**  trans58.490.5166.3-57.9-67.7000119.7
898N30.4Very low30.6Very low153 Ų153137.4 Ų137.482%0.81881%0.806SS**  trans-81.8150.4137.8-70.2-84.4000108.4
899D30.6Very low30.6Very low141 Ų141133.8 Ų133.875%0.75481%0.807SS**  trans-165.4130.9136.6-104.3-26.1000113.3
900F29.1Very low30.4Very low194 Ų194130.9 Ų130.985%0.85180%0.802SS**  trans43.9161.2156.9-78.7-98.1000123.9
901A34Very low30Very low82 Ų82131.8 Ų131.868%0.67880%0.797SS**  -167.3158.8-76.100000110.4
902Q29.7Very low29.8Very low195 Ų195134 Ų13491%0.91180%0.801SS**  trans-86.6139.3169.1-72.1-172.3-15.500111.8
903P32.6Very low29.5Very low124 Ų124131.4 Ų131.481%0.80580%0.8SS**  trans-104.6120.9178.135.5-30.6000115
904K23.9Very low29.3Very low203 Ų203131 Ų13188%0.88380%0.797SS**  trans-160.2159.5147.1-119.4-170.5175.8170.80109.7
905P36Very low29.3Very low117 Ų117136.3 Ų136.376%0.7680%0.804SS**  -127.8155-96.939-25.7000115.2
906A26.5Very low29.2Very low102 Ų102135.8 Ų135.884%0.84380%0.8SS**  trans-158.6153.5163.900000114.2
907A25.9Very low29.1Very low86 Ų86137.9 Ų137.971%0.71181%0.81SS**  trans-25.4127.8167.300000116.7
908T29.1Very low29.4Very low138 Ų138133.6 Ų133.685%0.84780%0.802SS**  85.8107.352.163.40000116.7
909A28.5Very low29.3Very low107 Ų107132.7 Ų132.788%0.88480%0.802SS**  trans172.8151.4146.800000108.1
910S25.9Very low29.2Very low108 Ų108130.8 Ų130.876%0.75580%0.8SS**  cis-164.3146.2-22.9-1740000105.5
911V27.5Very low29.3Very low116 Ų116125.9 Ų125.970%0.70380%0.795SS**  172.7140.899.51530000108.7
912N25.4Very low29Very low157 Ų157128.9 Ų128.984%0.8480%0.799SS**  trans19.8144.5155.6-46.8-5.1000120.8
913G26.1Very low29.2Very low73 Ų73128.5 Ų128.575%0.75380%0.795SS**  cis-170.3176.91.300000108.2
914E26.8Very low29.4Very low185 Ų185134.3 Ų134.386%0.86480%0.801SS**  cis-139.417016.4-70.5176.8116.500112
915E28.8Very low29.6Very low183 Ų183129.9 Ų129.986%0.85580%0.795SS**  trans28.7116.6157.8-59.5-174.6160.700119.7
916S28.2Very low29.4Very low112 Ų112131.8 Ų131.878%0.78380%0.798SS**  cis-170.4146.240.747.20000113.6
917S33.2Very low29.5Very low119 Ų119132.9 Ų132.983%0.83279%0.794SS**  trans-178149.3174.3-83.20000108.5
918P38.7Very low30Very low111 Ų111135.1 Ų135.172%0.72180%0.799SS**  -162.7172.290.441.1-19.9000119.2
919T28Very low30.1Very low133 Ų133133.3 Ų133.382%0.81680%0.798SS**  trans64.8155.5149.946.60000120.8
920S30.1Very low30.2Very low102 Ų102134 Ų13471%0.71379%0.787SS**  cis-167.9136.7-15.154.90000114.3
921A29.3Very low30.3Very low90 Ų90135.6 Ų135.674%0.74479%0.791SS**  59.6169.2121.800000125.4
922L29.2Very low30.7Very low146 Ų146138.4 Ų138.476%0.76479%0.794SS**  trans84.4143.1175.1-47.6178.3000115.9
923K32.9Very low31.2Very low187 Ų187137.2 Ų137.281%0.81379%0.793SS**  cis-153.2-177.6-6.9-125.5162.7-176160.10111.6
924R37.1Very low31.3Very low246 Ų246139 Ų13993%0.92879%0.794SS**  trans-92.7154.2-158.2-59176.6-178.3164.9-0.5117.5
925S28.8Very low31.8Very low109 Ų109140.5 Ų140.576%0.76280%0.798SS**  trans-148.2167.9143.3-144.60000107.9
926L30.8Very low32.2Very low157 Ų157140.7 Ų140.782%0.82280%0.799SS**  cis-132.2-99.9-3.4-174.775.5000110.5
927V30Very low32.3Very low125 Ų125142.6 Ų142.676%0.75880%0.8SS**  trans-147.6143-168.9166.50000110.9
928V35.5Very low32.3Very low134 Ų134145.1 Ų145.181%0.81280%0.804SS**  trans-111.1135.6163.2171.70000108.8
929A30.5Very low32.2Very low100 Ų100147.9 Ų147.983%0.82681%0.811SS**  trans-110.2140.216100000108.9
930N30.4Very low32.4Very low122 Ų122150.6 Ų150.665%0.65282%0.815SS**  trans-134.7130.8-167160.748.5000111
931T28.4Very low32.6Very low140 Ų140155.1 Ų155.186%0.85982%0.824SS**  trans-139.8129.2157.245.40000109.7
932K35.4Very low32.6Very low175 Ų175155.9 Ų155.976%0.76183%0.831SS**  trans-100.8141.4177.6-76.1-171.7174-174.30111.9
933T37.6Very low32.6Very low132 Ų132154 Ų15481%0.8183%0.83SS**  trans26.6126.1142.463.80000120.5
934S26.7Very low32.4Very low110 Ų110153.2 Ų153.277%0.76983%0.829SS**  -149.3135.7123.1-171.60000109.8
935F37.8Very low32Very low217 Ų217147 Ų14795%0.95282%0.819SS**  trans-149.169.9-178.2-124-71.8000109.3
936Q38.3Very low32.1Very low187 Ų187147.9 Ų147.987%0.87482%0.82SS**  trans-15044.3-176.4-156.3167.99.700114
937D29.3Very low32.2Very low152 Ų152147.6 Ų147.681%0.81381%0.814SS**  trans-155.787.4162.7-158.50.2000113
938L34Very low32.2Very low173 Ų173152.5 Ų152.591%0.90682%0.819SS**  trans-165.759.4152.6-146.775.9000113.1
939L37Very low32Very low168 Ų168153.2 Ų153.288%0.8882%0.818SS**  trans-138.863.4170.7-154.881.4000113.1
940Q30.6Very low32.3Very low190 Ų190155.6 Ų155.689%0.88881%0.81SS**  trans-127.8122.5166.8-145.78897.900109.8
941Q35.3Very low32.5Very low197 Ų197156.2 Ų156.292%0.92181%0.812SS**  trans-90.2144.7173.5-66.7175.1-46.700110.3
942A28.9Very low32.9Very low107 Ų107155.7 Ų155.788%0.88480%0.8SS**  trans-148.4139.8152.200000109.7
943S29.4Very low33Very low107 Ų107152.5 Ų152.575%0.74880%0.799SS**  trans-96.8174.3-171.749.80000113.3
944Q29.4Very low32.9Very low170 Ų170150.7 Ų150.779%0.79479%0.792SS**  trans105.1104.4157.8-55.8-159.810.700120.2
945T28.7Very low33.8Very low115 Ų115154 Ų15471%0.70680%0.795SS**  54.5117.6129.259.80000123.6
946V30.9Very low33.8Very low128 Ų128149.9 Ų149.978%0.77679%0.788SS**  65.997.2123.7-177.40000118.5
947Q31.2Very low33.4Very low150 Ų150144.9 Ų144.970%0.70178%0.779SS**  164.4118.1115.6-84.7-147.72100112.3
948R31.8Very low33.6Very low228 Ų228142.5 Ų142.586%0.8678%0.78SS**  -175157124-101.1160.3-16481.7-4.6113.2
949N30.3Very low33.5Very low149 Ų149140.9 Ų140.980%0.79778%0.778SS**  trans-77.8154-167.6-58.6-40.6000114.2
950K36.4Very low33.3Very low151 Ų151140.4 Ų140.466%0.65777%0.774SS**  11.1134.4122.6-122.5-172.6-169-99.90115.3E952K950-E952 WeakPolarHBondContact CE-OE1 3.37Å; K950-E952 IonicContact NZ-OE1 2.71Å; K950-E952 PolarHBondContact NZ-OE1 3.25Å; K950-E952 IonicContact NZ-OE2 3.77Å; K950-E952 PolarHBondContact NZ-OE2 3.37Å
951I36.1Very low33.4Very low135 Ų135135.4 Ų135.469%0.69277%0.766SS**  cis-142.5129.143-82.3173.5000107.7
952E35.7Very low33.1Very low129 Ų129130.8 Ų130.860%0.60376%0.761SS**  59.9143.388.2-91.9156-165.100111.7K950K950-E952 WeakPolarHBondContact CE-OE1 3.37Å; K950-E952 IonicContact NZ-OE1 2.71Å; K950-E952 PolarHBondContact NZ-OE1 3.25Å; K950-E952 IonicContact NZ-OE2 3.77Å; K950-E952 PolarHBondContact NZ-OE2 3.37Å
953S38.6Very low33.5Very low108 Ų108132.4 Ų132.476%0.75576%0.755SS**  cis-174.6170.921.932.70000106.9
954S35.4Very low33.9Very low94 Ų94135.1 Ų135.166%0.65776%0.761SS**  cis-174.3140.2-20.761.70000104.4
955E45.3Very low34.3Very low179 Ų179136.4 Ų136.484%0.83676%0.764SS**  40.8131.566.9-166.1163.1-130.200114.7
956T36.6Very low34.5Very low131 Ų131136.2 Ų136.280%0.80477%0.767SS**  trans-170.195.7152.24.90000110.9
957A31.2Very low35.3Very low82 Ų82136.9 Ų136.968%0.67877%0.766SS**  trans-65154139.200000108.5T959A957-T959 PolarHBondContact O-N 3.36Å
958A32.3Very low35.8Very low102 Ų102136.8 Ų136.884%0.84377%0.77SS**  trans-8691.2-174.700000111.9I960A958-I960 PolarHBondContact O-N 2.99Å
959T31.6Very low36.3Very low139 Ų139132.7 Ų132.785%0.85377%0.766SS**PPolyproline II helixtrans-69.6124.8167.2-46.30000109.9A957A957-T959 PolarHBondContact O-N 3.36Å
960I33.5Very low36.7Very low157 Ų157132.8 Ų132.881%0.80577%0.765SS**PPolyproline II helixtrans-88.2136.6168.4-64.6176.2000107.6A958A958-I960 PolarHBondContact O-N 2.99Å
961A32.5Very low36.9Very low86 Ų86134.5 Ų134.571%0.71177%0.773SS**PPolyproline II helixtrans-72.9139.7177.300000111
962A30.6Very low37.3Very low99 Ų99139.9 Ų139.982%0.81878%0.784SS**PPolyproline II helixtrans-95.3132.2161.900000108.4
963D36.2Very low37.3Very low142 Ų142142.1 Ų142.176%0.75980%0.795SS**PPolyproline II helixtrans-103.1138.1166.7-67.4-40.4000108.4
964D37.7Very low37.2Very low163 Ų163142.9 Ų142.987%0.87280%0.797SS**  trans1.7113.6173.8-56-28.2000120.2
965F38Very low37.4Very low197 Ų197144.7 Ų144.786%0.86480%0.804SS**  trans-132.7129.3153.8-80.4-89.7000110.4
966S33.4Very low36.7Very low111 Ų111142.9 Ų142.978%0.77680%0.8SS**  trans-68.9134.7174.9-53.20000111.4
967L47.4Very low36.9Very low142 Ų142142.4 Ų142.474%0.74380%0.799SS**SBendtrans-82.8-14.8-170.7-66.4174.5000114.7N969 L970L967-N969 PolarHBondContact O-N 2.93Å; L967-L970 PolarHBondContact O-N 3.1Å
968D42.2Very low37.6Very low148 Ų148142.4 Ų142.479%0.79180%0.799SS**THydrogen-bonded Turntrans-72.67.9-169.6-54.1-48.2000115.7
969N42.6Very low38.2Very low143 Ų143146.5 Ų146.577%0.76580%0.801SS**THydrogen-bonded Turntrans-137.49.3178.6-92.9-73.8000115L967 K971L967-N969 PolarHBondContact O-N 2.93Å; N969-K971 VanDerWaalsContact C-N 3.35Å; N969-K971 PolarHBondContact O-N 2.92Å
970L37.2Very low38.5Very low150 Ų150146.6 Ų146.679%0.78580%0.796SS**  trans-78.283.6-180-151.177.1000111.4L967L967-L970 PolarHBondContact O-N 3.1Å
971K42Very low38.7Very low188 Ų188146.7 Ų146.782%0.81779%0.793SS**PPolyproline II helixtrans-61.9146.3169.8-70.1-177.1179.2178.50110.2N969N969-K971 VanDerWaalsContact C-N 3.35Å; N969-K971 PolarHBondContact O-N 2.92Å
972R43.2Very low38.9Very low247 Ų247150 Ų15093%0.93280%0.798SS**PPolyproline II helixtrans-49.9137.8-178.4-59170.9-177.2159.7-0.8111.7
973E36.2Very low39.6Very low176 Ų176153 Ų15382%0.82280%0.801SS**PPolyproline II helixtrans-60.9155.2159.3-85.8-173130.400110.5V975E973-V975 PolarHBondContact O-N 3.08Å
974P36.9Very low39.8Very low124 Ų124152.8 Ų152.881%0.80580%0.798SS**PPolyproline II helixtrans-67.2129-179.128-34.3000111.2
975V39.7Very low39.8Very low132 Ų132153.5 Ų153.580%0.880%0.801SS**PPolyproline II helixtrans-75.1127.6159.9176.20000107.2E973 P977E973-V975 PolarHBondContact O-N 3.08Å; V975-P977 WeakPolarHBondContact O-CD 3.47Å
976D30.7Very low39.9Very low141 Ų141147.8 Ų147.875%0.75480%0.798SS**  trans-87.7113.5175.9-148.9-10000109.1A978D976-A978 VanDerWaalsContact C-N 3.29Å; D976-A978 PolarHBondContact O-N 3.4Å
977P40.2Very low40Very low122 Ų122152.8 Ų152.879%0.79282%0.823SS**  trans-90.456.3-166.237.6-36.5000111.8V975V975-P977 WeakPolarHBondContact O-CD 3.47Å
978A44.8Very low39.7Very low81 Ų81153.4 Ų153.467%0.66983%0.827SS**  trans-112-19.1-169.100000115.6D976D976-A978 VanDerWaalsContact C-N 3.29Å; D976-A978 PolarHBondContact O-N 3.4Å
979E46.8Very low39.5Very low189 Ų189153.6 Ų153.688%0.88383%0.829SS**SBendtrans-132.564.7-178.8-68.6-167.2152.100112.2
980D37.8Very low39.3Very low140 Ų140154.2 Ų154.275%0.74983%0.833SS**SBendtrans-153.9140.4152.5-118.2-33.4000111
981H36.2Very low39.5Very low160 Ų160154.5 Ų154.574%0.74184%0.836SS**  trans60.392.6177.1-50.2-43.8000118.3
982N37.4Very low39.3Very low154 Ų154152.4 Ų152.482%0.82484%0.837SS**  trans-137.642.7143.3-126.7-13.8000112.1I984N982-I984 PolarHBondContact O-N 3.28Å
983D46.1Very low39.1Very low164 Ų164146.1 Ų146.188%0.87783%0.83SS**  trans-75.291.1159.7-82.5-38.7000108.6
984I40.3Very low39.3Very low136 Ų136143.9 Ų143.970%0.69783%0.831SS**  trans-144.362.7168.2-159.4163.6000114.6N982N982-I984 PolarHBondContact O-N 3.28Å
985L37.5Very low39.4Very low178 Ų178145.5 Ų145.593%0.93283%0.833SS**SBendtrans-127.491133-75.4-178.2000107.4
986G38.4Very low39.4Very low77 Ų77146.6 Ų146.679%0.79484%0.836SS**  trans-75.5127.5-173.700000113.3
987V36.8Very low40.2Very low217 Ų217147.1 Ų147.1100%1.31584%0.843SS**  trans-139.30160.5-177.90000107.5

Retrieved 987 of 987 residues in 258.9 ms (Link to these results)