| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.7 | Very low | 70.5 | Confident | 241 Ų | 241 | 102.4 Ų | 102.4 | 100% | 1.187 | 65% | 0.649 | S | S | * | * | 0 | 131.6 | 0 | -69.1 | 178.8 | 178.2 | 0 | 0 | 108.2 | |||||
| 2 | A | 41.3 | Very low | 71.1 | Confident | 100 Ų | 100 | 111.5 Ų | 111.5 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -64.9 | 136.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G4 | A2-G4 PolarHBondContact O-N 3.39Š| ||
| 3 | V | 53.8 | Low | 72 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 72% | 0.715 | 65% | 0.645 | S | S | * | * | trans | -77.2 | 104.4 | 164.4 | -179.7 | 0 | 0 | 0 | 0 | 106.2 | S5 | V3-S5 PolarHBondContact O-N 3.35Š| ||
| 4 | G | 61.4 | Low | 72.9 | Confident | 42 Ų | 42 | 105.5 Ų | 105.5 | 43% | 0.433 | 65% | 0.649 | S | S | . | * | trans | -57.1 | 135 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A2 | A2-G4 PolarHBondContact O-N 3.39Š| ||
| 5 | S | 74.9 | Confident | 73.9 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | trans | -52.3 | 136.1 | -176 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | V3 R19 | V3-S5 PolarHBondContact O-N 3.35Å; S5-R19 PolarHBondContact O-NH1 3.34Å; S5-R19 PolarHBondContact O-NH2 3.3Å | ||
| 6 | V | 83.9 | Confident | 75 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 32% | 0.315 | 60% | 0.6 | S | S | . | * | trans | -141.6 | 131.9 | 172.9 | -65.9 | 0 | 0 | 0 | 0 | 107.9 | R18 R19 | V6-R18 WeakPolarHBondContact CG1-O 3.03Å; V6-R19 HydrophobicContact CG1-CG 4.43Å | ||
| 7 | D | 86.1 | Confident | 75.9 | Confident | 167 Ų | 167 | 96.2 Ų | 96.2 | 89% | 0.893 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -77 | -28.9 | -171.2 | -42 | -86.3 | 0 | 0 | 0 | 111.8 | ||
| 8 | V | 86.3 | Confident | 76.5 | Confident | 101 Ų | 101 | 102.8 Ų | 102.8 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -130.4 | 111.3 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | M10 | V8-M10 HydrophobicContact CG1-SD 3.73Š|
| 9 | S | 85.1 | Confident | 77.2 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 67% | 0.671 | 59% | 0.592 | S | S | * | * | trans | -88.4 | 110.9 | 178 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | G11 | S9-G11 PolarHBondContact O-N 3.33Š| ||
| 10 | M | 83.1 | Confident | 78 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 33% | 0.33 | 56% | 0.564 | S | S | . | * | trans | -84 | 18.8 | 174.5 | -54.6 | -49.3 | -47.5 | 0 | 0 | 113.7 | V8 I16 I75 I77 | V8-M10 HydrophobicContact CG1-SD 3.73Å; M10-I16 HydrophobicContact CB-CD1 4.26Å; M10-I16 HydrophobicContact CB-CG2 4.37Å; M10-I16 HydrophobicContact CG-CD1 4.44Å; M10-I16 HydrophobicContact CG-CG2 4.42Å; M10-I75 HydrophobicContact CE-CD1 4.23Å; M10-I75 HydrophobicContact CE-CG2 3.69Å; M10-I77 HydrophobicContact SD-CD1 3.82Å | ||
| 11 | G | 81.6 | Confident | 78.8 | Confident | 49 Ų | 49 | 97 Ų | 97 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | trans | 66.5 | -164.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S9 S13 | S9-G11 PolarHBondContact O-N 3.33Å; G11-S13 VanDerWaalsContact C-N 3.28Å; G11-S13 PolarHBondContact O-N 3.23Å | ||
| 12 | H | 78.3 | Confident | 81.5 | Confident | 212 Ų | 212 | 88.8 Ų | 88.8 | 98% | 0.981 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -82.3 | 60.8 | -173.5 | -63.6 | 116.4 | 0 | 0 | 0 | 113.4 | ||
| 13 | S | 82.3 | Confident | 84 | Confident | 38 Ų | 38 | 87.5 Ų | 87.5 | 27% | 0.266 | 48% | 0.484 | S | S | . | . | trans | -86.7 | 133.7 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | G11 F15 I16 | G11-S13 VanDerWaalsContact C-N 3.28Å; G11-S13 PolarHBondContact O-N 3.23Å; S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact OG-N 3.37Å; S13-F15 VanDerWaalsContact OG-N 3.16Å; S13-I16 PolarHBondContact OG-N 3.48Å | ||
| 14 | S | 84.7 | Confident | 85.7 | Confident | 101 Ų | 101 | 85.3 Ų | 85.3 | 71% | 0.706 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -79.3 | -17 | 168 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 15 | F | 87.9 | Confident | 87 | Confident | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.434 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -94.1 | -15.8 | -178.8 | -59.6 | -72.3 | 0 | 0 | 0 | 113.1 | S13 N44 S72 T73 | S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact OG-N 3.37Å; S13-F15 VanDerWaalsContact OG-N 3.16Å; F15-N44 PolarHBondContact O-ND2 2.9Å; F15-S72 VanDerWaalsContact CD1-CB 3.42Å; F15-T73 HydrophobicContact CB-CG2 3.85Å |
| 16 | I | 91.2 | Very high | 87.2 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 8% | 0.077 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -119.6 | 112.1 | 177.1 | -57.5 | 176.9 | 0 | 0 | 0 | 108.7 | M10 S13 H20 F70 T73 I75 | M10-I16 HydrophobicContact CB-CD1 4.26Å; M10-I16 HydrophobicContact CB-CG2 4.37Å; M10-I16 HydrophobicContact CG-CD1 4.44Å; M10-I16 HydrophobicContact CG-CG2 4.42Å; S13-I16 PolarHBondContact OG-N 3.48Å; I16-H20 WeakPolarHBondContact CA-ND1 3.41Å; I16-H20 HydrophobicContact CG2-CB 3.86Å; I16-H20 WeakPolarHBondContact CG2-ND1 3.23Å; I16-F70 HydrophobicContact CD1-CB 4.18Å; I16-F70 HydrophobicContact CD1-CD1 4.27Å; I16-F70 HydrophobicContact CD1-CD2 3.44Å; I16-F70 VanDerWaalsContact CD1-CD2 3.44Å; I16-F70 HydrophobicContact CD1-CE2 3.8Å; I16-F70 HydrophobicContact CD1-CG 3.69Å; I16-F70 HydrophobicContact CD1-CZ 4.34Å; I16-F70 HydrophobicContact CG1-CB 4.13Å; I16-F70 HydrophobicContact CG1-CD1 4.08Å; I16-F70 HydrophobicContact CG1-CD2 4.13Å; I16-F70 HydrophobicContact CG1-CG 3.84Å; I16-F70 HydrophobicContact CG2-CE1 4.25Å; I16-F70 HydrophobicContact CG2-CZ 4.4Å; I16-T73 HydrophobicContact CD1-CG2 4.27Å; I16-T73 HydrophobicContact CG1-CG2 4.29Å; I16-I75 HydrophobicContact CD1-CB 4.48Å; I16-I75 HydrophobicContact CD1-CD1 3.56Å; I16-I75 HydrophobicContact CD1-CG2 4.44Å |
| 17 | S | 90.4 | Very high | 86.3 | Confident | 44 Ų | 44 | 83.5 Ų | 83.5 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | trans | -62.2 | 147.1 | 175.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | R19 H20 | S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.34Å; S17-H20 PolarHBondContact N-ND1 3.05Å; S17-H20 WeakPolarHBondContact O-CB 3.17Å; S17-H20 PolarHBondContact O-N 3.04Å | ||
| 18 | R | 86.7 | Confident | 85 | Confident | 216 Ų | 216 | 84.7 Ų | 84.7 | 82% | 0.815 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -46.4 | -179 | -75.3 | -175.1 | -78.5 | -179.9 | -3.4 | 113 | V6 | V6-R18 WeakPolarHBondContact CG1-O 3.03Š|
| 19 | R | 90.8 | Very high | 83.4 | Confident | 137 Ų | 137 | 86.4 Ų | 86.4 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 81.5 | 163.1 | -65.4 | -177.1 | -177.7 | -81.2 | -7.3 | 108.5 | S5 V6 S17 L41 | S5-R19 PolarHBondContact O-NH1 3.34Å; S5-R19 PolarHBondContact O-NH2 3.3Å; V6-R19 HydrophobicContact CG1-CG 4.43Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.34Å; R19-L41 WeakPolarHBondContact O-CB 3.4Å |
| 20 | H | 93.4 | Very high | 82 | Confident | 7 Ų | 7 | 85.4 Ų | 85.4 | 3% | 0.032 | 47% | 0.467 | C | S | . | . | trans | -83 | -48.3 | 178.3 | -157.9 | 130.9 | 0 | 0 | 0 | 111.4 | I16 S17 L41 G42 G45 F70 | I16-H20 WeakPolarHBondContact CA-ND1 3.41Å; I16-H20 HydrophobicContact CG2-CB 3.86Å; I16-H20 WeakPolarHBondContact CG2-ND1 3.23Å; S17-H20 PolarHBondContact N-ND1 3.05Å; S17-H20 WeakPolarHBondContact O-CB 3.17Å; S17-H20 PolarHBondContact O-N 3.04Å; H20-L41 CarbonylContact O-C 3.52Å; H20-L41 WeakPolarHBondContact O-CA 3.34Å; H20-L41 PolarHBondContact O-N 3.46Å; H20-G42 PolarHBondContact O-N 3.26Å; H20-G45 PolarHBondContact NE2-O 2.96Å; H20-F70 HydrophobicContact CB-CE1 4.25Å; H20-F70 AromaticContact CD2-CE1 3.91Å; H20-F70 AromaticContact CE1-CD1 3.59Å; H20-F70 AromaticContact CG-CE1 3.73Å; H20-F70 AromaticContact ND1-CD1 3.73Å; H20-F70 AromaticContact ND1-CE1 3.76Å; H20-F70 AromaticContact NE2-CD1 3.89Å | ||
| 21 | L | 94.3 | Very high | 80.7 | Confident | 41 Ų | 41 | 85.5 Ų | 85.5 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.9 | -175.1 | -59 | 179 | 0 | 0 | 0 | 108.2 | L38 C40 V46 F68 F70 | L21-L38 HydrophobicContact CB-CD1 4.03Å; L21-L38 HydrophobicContact CD1-CD1 4.29Å; L21-L38 HydrophobicContact CD2-CD1 4.28Å; L21-L38 HydrophobicContact CG-CD1 4.41Å; L21-C40 HydrophobicContact CD2-CB 4.34Å; L21-V46 HydrophobicContact CD1-CG2 4.17Å; L21-V46 HydrophobicContact CD2-CB 3.98Å; L21-V46 HydrophobicContact CD2-CG1 3.61Å; L21-V46 HydrophobicContact CD2-CG2 4.48Å; L21-F68 HydrophobicContact CD1-CD2 4.37Å; L21-F68 HydrophobicContact CD1-CG 4.47Å; L21-F70 HydrophobicContact CD1-CE1 3.73Å; L21-F70 HydrophobicContact CD1-CZ 3.71Å; L21-F70 HydrophobicContact CG-CE1 4.01Å; L21-F70 HydrophobicContact CG-CZ 4.36Å |
| 22 | E | 93.9 | Very high | 79.5 | Confident | 69 Ų | 69 | 86.5 Ų | 86.5 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 126 | 174.7 | 178.3 | -171.8 | -120.8 | 0 | 0 | 106 | R39 L41 | E22-R39 HydrophobicContact CB-CB 4.49Å; E22-R39 VanDerWaalsContact CD-NH2 3.33Å; E22-R39 PolarHBondContact N-O 2.84Å; E22-R39 VanDerWaalsContact N-O 3.12Å; E22-R39 PolarHBondContact O-N 3.34Å; E22-R39 IonicContact OE1-NH2 3.08Å; E22-R39 PolarHBondContact OE1-NH2 3.37Å; E22-R39 IonicContact OE2-CZ 2.98Å; E22-R39 IonicContact OE2-NE 2.69Å; E22-R39 PolarHBondContact OE2-NE 2.85Å; E22-R39 IonicContact OE2-NH2 2.72Å; E22-R39 PolarHBondContact OE2-NH2 3.37Å; E22-L41 HydrophobicContact CB-CD1 4.06Å |
| 23 | I | 93.1 | Very high | 78.6 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.2 | 175.2 | -58.5 | 172.5 | 0 | 0 | 0 | 106.3 | F36 Y37 L38 L62 F68 F79 | I23-F36 HydrophobicContact CG2-CB 4.36Å; I23-F36 HydrophobicContact CG2-CD1 3.92Å; I23-Y37 WeakPolarHBondContact CA-O 3.48Å; I23-L38 HydrophobicContact CD1-CD1 4.36Å; I23-L38 HydrophobicContact CG1-CD1 3.63Å; I23-L62 HydrophobicContact CD1-CD1 4.29Å; I23-L62 HydrophobicContact CG1-CD1 4.32Å; I23-L62 HydrophobicContact CG2-CD1 4.06Å; I23-F68 HydrophobicContact CD1-CE2 3.71Å; I23-F68 HydrophobicContact CD1-CZ 3.94Å; I23-F79 HydrophobicContact CD1-CD2 4.03Å; I23-F79 HydrophobicContact CD1-CE2 4.39Å; I23-F79 HydrophobicContact CG2-CE2 4.38Å |
| 24 | F | 91.1 | Very high | 78.2 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 32% | 0.32 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.8 | 178.8 | 66.5 | -82.2 | 0 | 0 | 0 | 109.4 | Y37 R39 P59 | F24-Y37 WeakPolarHBondContact CD1-O 3.35Å; F24-Y37 HydrophobicContact CE2-CD2 4.48Å; F24-Y37 HydrophobicContact CE2-CG 4.35Å; F24-Y37 HydrophobicContact CZ-CG 4.27Å; F24-Y37 PolarHBondContact N-O 2.84Å; F24-Y37 PolarHBondContact O-N 2.9Å; F24-R39 HydrophobicContact CE1-CB 4.17Å; F24-P59 HydrophobicContact CE1-CB 3.91Å; F24-P59 HydrophobicContact CE1-CG 4.18Å; F24-P59 HydrophobicContact CZ-CB 3.66Å; F24-P59 HydrophobicContact CZ-CG 3.82Å |
| 25 | T | 88.6 | Confident | 78.2 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 34% | 0.344 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.8 | 169.3 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | R34 E35 F36 | T25-R34 HydrophobicContact CG2-CB 4.19Å; T25-E35 VanDerWaalsContact CA-O 3.27Å; T25-E35 WeakPolarHBondContact CA-O 3.44Å; T25-F36 HydrophobicContact CG2-CD1 3.67Å; T25-F36 HydrophobicContact CG2-CE1 3.69Å; T25-F36 HydrophobicContact CG2-CG 4.11Å; T25-F36 HydrophobicContact CG2-CZ 4.13Å |
| 26 | A | 78.2 | Confident | 78.4 | Confident | 49 Ų | 49 | 83.2 Ų | 83.2 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | E35 Y37 | A26-E35 PolarHBondContact N-O 2.85Å; A26-Y37 HydrophobicContact CB-CD2 3.84Å; A26-Y37 HydrophobicContact CB-CE2 3.51Å |
| 27 | G | 64.7 | Low | 78.5 | Confident | 44 Ų | 44 | 84.9 Ų | 84.9 | 45% | 0.454 | 46% | 0.459 | S | S | . | . | trans | 89.3 | 140 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | D29 | G27-D29 WeakPolarHBondContact CA-OD1 3.38Š| ||
| 28 | E | 58.8 | Low | 78.7 | Confident | 191 Ų | 191 | 82.8 Ų | 82.8 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | trans | -122.9 | 21.9 | 163 | -156.5 | -179.5 | 154.1 | 0 | 0 | 109.9 | G30 | E28-G30 PolarHBondContact O-N 2.74Š| ||
| 29 | D | 52.8 | Low | 79.2 | Confident | 137 Ų | 137 | 77.8 Ų | 77.8 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -78.8 | 49.4 | -169.2 | 30.1 | -70.3 | 0 | 0 | 0 | 113.8 | G27 S31 | G27-D29 WeakPolarHBondContact CA-OD1 3.38Å; D29-S31 PolarHBondContact O-N 3Å |
| 30 | G | 55.6 | Low | 79.4 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 78% | 0.784 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 65.8 | -8.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | E28 | E28-G30 PolarHBondContact O-N 2.74Š|
| 31 | S | 56.5 | Low | 79.4 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | trans | -85.9 | 130.8 | 175.1 | -170.6 | 0 | 0 | 0 | 0 | 110.6 | D29 T33 | D29-S31 PolarHBondContact O-N 3Å; S31-T33 PolarHBondContact O-N 3.41Å; S31-T33 PolarHBondContact OG-OG1 3.36Å | ||
| 32 | G | 56.8 | Low | 79.4 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 71% | 0.711 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -64.6 | -8.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R34 | G32-R34 PolarHBondContact O-N 3.09Š|
| 33 | T | 59.6 | Low | 79.3 | Confident | 83 Ų | 83 | 76 Ų | 76 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | trans | -83.9 | 81.2 | 179.5 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | S31 E35 | S31-T33 PolarHBondContact O-N 3.41Å; S31-T33 PolarHBondContact OG-OG1 3.36Å; T33-E35 PolarHBondContact O-N 3.12Å | ||
| 34 | R | 72.3 | Confident | 79.3 | Confident | 163 Ų | 163 | 74.7 Ų | 74.7 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | trans | -64.9 | 102.9 | 167.5 | -80.5 | -173.2 | 174.9 | 177 | -1.5 | 110.4 | T25 G32 F36 | T25-R34 HydrophobicContact CG2-CB 4.19Å; G32-R34 PolarHBondContact O-N 3.09Å; R34-F36 WeakPolarHBondContact O-CD2 3.17Å | ||
| 35 | E | 85.8 | Confident | 79.5 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 39% | 0.393 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.1 | 174.3 | -58.2 | -158 | 141.4 | 0 | 0 | 110.6 | T25 A26 T33 Y37 Q61 | T25-E35 VanDerWaalsContact CA-O 3.27Å; T25-E35 WeakPolarHBondContact CA-O 3.44Å; A26-E35 PolarHBondContact N-O 2.85Å; T33-E35 PolarHBondContact O-N 3.12Å; E35-Y37 HydrophobicContact CB-CE2 3.8Å; E35-Y37 PolarHBondContact OE2-OH 2.86Å; E35-Q61 PolarHBondContact OE1-NE2 2.91Å; E35-Q61 PolarHBondContact OE2-NE2 2.94Å |
| 36 | F | 91.8 | Very high | 79.9 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 23% | 0.228 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.9 | 179.9 | -69.1 | -93.4 | 0 | 0 | 0 | 110.6 | I23 T25 R34 L62 F79 A81 | I23-F36 HydrophobicContact CG2-CB 4.36Å; I23-F36 HydrophobicContact CG2-CD1 3.92Å; T25-F36 HydrophobicContact CG2-CD1 3.67Å; T25-F36 HydrophobicContact CG2-CE1 3.69Å; T25-F36 HydrophobicContact CG2-CG 4.11Å; T25-F36 HydrophobicContact CG2-CZ 4.13Å; R34-F36 WeakPolarHBondContact O-CD2 3.17Å; F36-L62 HydrophobicContact CB-CB 4.17Å; F36-L62 HydrophobicContact CB-CD1 4.29Å; F36-L62 PolarHBondContact O-N 3.09Å; F36-F79 HydrophobicContact CB-CE1 4.43Å; F36-F79 HydrophobicContact CB-CZ 3.83Å; F36-F79 HydrophobicContact CD1-CE2 4.18Å; F36-F79 AromaticContact CD1-CZ 3.9Å; F36-F79 HydrophobicContact CD1-CZ 3.9Å; F36-F79 AromaticContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CE1-CZ 4.42Å; F36-F79 HydrophobicContact CE2-CZ 4.43Å; F36-F79 HydrophobicContact CG-CE2 4.34Å; F36-F79 AromaticContact CG-CZ 3.61Å; F36-F79 HydrophobicContact CG-CZ 3.61Å; F36-A81 HydrophobicContact CD2-CB 3.92Å; F36-A81 HydrophobicContact CE2-CB 3.75Å |
| 37 | Y | 93.6 | Very high | 80.7 | Confident | 50 Ų | 50 | 69 Ų | 69 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.5 | 179.3 | -67.1 | -94.4 | 0 | 0 | 0 | 111 | I23 F24 A26 E35 P59 L60 Q61 | I23-Y37 WeakPolarHBondContact CA-O 3.48Å; F24-Y37 WeakPolarHBondContact CD1-O 3.35Å; F24-Y37 HydrophobicContact CE2-CD2 4.48Å; F24-Y37 HydrophobicContact CE2-CG 4.35Å; F24-Y37 HydrophobicContact CZ-CG 4.27Å; F24-Y37 PolarHBondContact N-O 2.84Å; F24-Y37 PolarHBondContact O-N 2.9Å; A26-Y37 HydrophobicContact CB-CD2 3.84Å; A26-Y37 HydrophobicContact CB-CE2 3.51Å; E35-Y37 HydrophobicContact CB-CE2 3.8Å; E35-Y37 PolarHBondContact OE2-OH 2.86Å; Y37-P59 HydrophobicContact CD1-CB 4.37Å; Y37-L60 CarbonylContact C-O 3.6Å; Y37-L60 WeakPolarHBondContact CA-O 2.98Å; Y37-Q61 HydrophobicContact CD1-CB 3.93Å; Y37-Q61 HydrophobicContact CD1-CG 4.35Å; Y37-Q61 HydrophobicContact CE1-CB 3.67Å; Y37-Q61 HydrophobicContact CE1-CG 3.87Å |
| 38 | L | 95.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.7 | -179.8 | -177.7 | 76.3 | 0 | 0 | 0 | 111.2 | L21 I23 V46 V48 P59 L60 L62 F68 | L21-L38 HydrophobicContact CB-CD1 4.03Å; L21-L38 HydrophobicContact CD1-CD1 4.29Å; L21-L38 HydrophobicContact CD2-CD1 4.28Å; L21-L38 HydrophobicContact CG-CD1 4.41Å; I23-L38 HydrophobicContact CD1-CD1 4.36Å; I23-L38 HydrophobicContact CG1-CD1 3.63Å; L38-V46 HydrophobicContact CD2-CG1 4.15Å; L38-V48 HydrophobicContact CD2-CG2 3.51Å; L38-P59 WeakPolarHBondContact O-CA 3.45Å; L38-L60 PolarHBondContact N-O 3.06Å; L38-L60 PolarHBondContact O-N 2.98Å; L38-L62 HydrophobicContact CB-CD1 4.13Å; L38-L62 HydrophobicContact CB-CD2 3.7Å; L38-L62 HydrophobicContact CB-CG 3.96Å; L38-L62 HydrophobicContact CD2-CD2 4.26Å; L38-F68 HydrophobicContact CD1-CZ 4.32Å; L38-F68 HydrophobicContact CD2-CD1 4.26Å; L38-F68 HydrophobicContact CD2-CE1 3.99Å |
| 39 | R | 95.4 | Very high | 83.9 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 42% | 0.419 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.2 | 168.6 | -172.4 | 159.5 | 63.7 | 168.2 | -2.3 | 110.2 | E22 F24 L41 | E22-R39 HydrophobicContact CB-CB 4.49Å; E22-R39 VanDerWaalsContact CD-NH2 3.33Å; E22-R39 PolarHBondContact N-O 2.84Å; E22-R39 VanDerWaalsContact N-O 3.12Å; E22-R39 PolarHBondContact O-N 3.34Å; E22-R39 IonicContact OE1-NH2 3.08Å; E22-R39 PolarHBondContact OE1-NH2 3.37Å; E22-R39 IonicContact OE2-CZ 2.98Å; E22-R39 IonicContact OE2-NE 2.69Å; E22-R39 PolarHBondContact OE2-NE 2.85Å; E22-R39 IonicContact OE2-NH2 2.72Å; E22-R39 PolarHBondContact OE2-NH2 3.37Å; F24-R39 HydrophobicContact CE1-CB 4.17Å; R39-L41 HydrophobicContact CG-CD2 3.94Å; R39-L41 HydrophobicContact CG-CG 4.46Å |
| 40 | C | 96 | Very high | 85.7 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.8 | 175.3 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | L21 Q53 R55 G56 | L21-C40 HydrophobicContact CD2-CB 4.34Å; C40-Q53 HydrophobicContact CB-CG 3.82Å; C40-R55 WeakPolarHBondContact O-CA 3.42Å; C40-G56 PolarHBondContact O-N 3.08Å |
| 41 | L | 94 | Very high | 87.5 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | trans | -107.4 | -24.7 | -177.5 | -59.1 | 176.3 | 0 | 0 | 0 | 112.5 | R19 H20 E22 R39 R55 | R19-L41 WeakPolarHBondContact O-CB 3.4Å; H20-L41 CarbonylContact O-C 3.52Å; H20-L41 WeakPolarHBondContact O-CA 3.34Å; H20-L41 PolarHBondContact O-N 3.46Å; E22-L41 HydrophobicContact CB-CD1 4.06Å; R39-L41 HydrophobicContact CG-CD2 3.94Å; R39-L41 HydrophobicContact CG-CG 4.46Å; L41-R55 VanDerWaalsContact O-CD 3.25Å; L41-R55 WeakPolarHBondContact O-CD 3.47Å; L41-R55 WeakPolarHBondContact O-CG 3.33Å; L41-R55 PolarHBondContact O-NE 2.79Å | ||
| 42 | G | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -77.4 | 136.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H20 N44 G45 | H20-G42 PolarHBondContact O-N 3.26Å; G42-N44 PolarHBondContact O-N 3.12Å; G42-N44 VanDerWaalsContact O-N 3.07Å; G42-G45 PolarHBondContact O-N 3.14Å |
| 43 | K | 92.4 | Very high | 91.2 | Very high | 157 Ų | 157 | 58.9 Ų | 58.9 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.2 | -173.6 | 63.9 | 163.6 | -169.4 | 175.7 | 0 | 115.8 | ||
| 44 | N | 93.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9.5 | -175.3 | -63.2 | -24.3 | 0 | 0 | 0 | 112.8 | F15 G42 | F15-N44 PolarHBondContact O-ND2 2.9Å; G42-N44 PolarHBondContact O-N 3.12Å; G42-N44 VanDerWaalsContact O-N 3.07Å |
| 45 | G | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | trans | 68.9 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H20 G42 Q53 P71 | H20-G45 PolarHBondContact NE2-O 2.96Å; G42-G45 PolarHBondContact O-N 3.14Å; G45-Q53 VanDerWaalsContact CA-O 3.23Å; G45-Q53 WeakPolarHBondContact CA-O 3.35Å; G45-P71 VanDerWaalsContact O-CD 3.23Å; G45-P71 WeakPolarHBondContact O-CD 3.46Å | ||
| 46 | V | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.8 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 110 | L21 L38 V48 Q53 F68 F70 | L21-V46 HydrophobicContact CD1-CG2 4.17Å; L21-V46 HydrophobicContact CD2-CB 3.98Å; L21-V46 HydrophobicContact CD2-CG1 3.61Å; L21-V46 HydrophobicContact CD2-CG2 4.48Å; L38-V46 HydrophobicContact CD2-CG1 4.15Å; V46-V48 HydrophobicContact CG1-CG2 4.17Å; V46-Q53 HydrophobicContact CG1-CB 4.05Å; V46-Q53 PolarHBondContact N-O 2.86Å; V46-Q53 PolarHBondContact O-N 3.11Å; V46-F68 HydrophobicContact CG2-CB 3.99Å; V46-F70 HydrophobicContact CB-CD1 4.44Å; V46-F70 HydrophobicContact CG2-CD1 4.13Å; V46-F70 HydrophobicContact CG2-CE1 4.17Å |
| 47 | F | 96.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 61 Ų | 61 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 129.8 | 164.4 | -66.4 | -82 | 0 | 0 | 0 | 109.7 | G50 V51 F52 F68 R69 P71 | F47-G50 WeakPolarHBondContact CD1-O 3.39Å; F47-V51 CarbonylContact C-O 3.51Å; F47-V51 VanDerWaalsContact CA-O 3.28Å; F47-V51 WeakPolarHBondContact CA-O 3.39Å; F47-F52 HydrophobicContact CD1-CB 3.84Å; F47-F52 HydrophobicContact CD1-CD2 4.04Å; F47-F52 HydrophobicContact CD1-CG 4.43Å; F47-F52 HydrophobicContact CD2-CD2 4.38Å; F47-F52 HydrophobicContact CE1-CB 3.7Å; F47-F52 AromaticContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CG 4.16Å; F47-F52 HydrophobicContact CE2-CD2 4.24Å; F47-F52 HydrophobicContact CG-CD2 4.3Å; F47-F52 AromaticContact CZ-CD2 3.99Å; F47-F52 HydrophobicContact CZ-CD2 3.99Å; F47-F68 CarbonylContact O-C 3.59Å; F47-F68 VanDerWaalsContact O-CA 3.31Å; F47-F68 WeakPolarHBondContact O-CA 3.4Å; F47-R69 HydrophobicContact CB-CB 4.34Å; F47-R69 PolarHBondContact N-O 3.24Å; F47-R69 PolarHBondContact O-N 3.39Å; F47-P71 HydrophobicContact CD2-CB 4.42Å; F47-P71 HydrophobicContact CD2-CG 3.93Å; F47-P71 HydrophobicContact CE2-CB 3.83Å; F47-P71 HydrophobicContact CE2-CG 3.65Å |
| 48 | V | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 111.1 | 170.2 | -172.1 | 0 | 0 | 0 | 0 | 107.1 | L38 V46 G50 V51 L60 L62 C66 C67 F68 | L38-V48 HydrophobicContact CD2-CG2 3.51Å; V46-V48 HydrophobicContact CG1-CG2 4.17Å; V48-G50 PolarHBondContact O-N 2.88Å; V48-V51 PolarHBondContact N-O 3.02Å; V48-V51 WeakPolarHBondContact O-CB 3.47Å; V48-V51 PolarHBondContact O-N 3.17Å; V48-L60 HydrophobicContact CB-CD2 3.89Å; V48-L60 HydrophobicContact CG1-CD2 4.15Å; V48-L60 HydrophobicContact CG2-CD2 3.84Å; V48-L62 HydrophobicContact CG1-CD2 4.19Å; V48-C66 HydrophobicContact CG1-CB 4.08Å; V48-C67 WeakPolarHBondContact CA-O 3.25Å; V48-F68 HydrophobicContact CB-CD1 4.42Å; V48-F68 HydrophobicContact CG1-CD1 4.04Å; V48-F68 HydrophobicContact CG1-CE1 4Å; V48-F68 HydrophobicContact CG2-CD1 3.92Å; V48-F68 HydrophobicContact CG2-CE1 4.27Å |
| 49 | D | 93.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 27.7 | -173.8 | -60.1 | -36.8 | 0 | 0 | 0 | 115 | C66 C67 | D49-C66 VanDerWaalsContact OD2-CA 3.28Å; D49-C66 WeakPolarHBondContact OD2-CA 3.47Å; D49-C66 WeakPolarHBondContact OD2-CB 3.43Å; D49-C67 PolarHBondContact N-O 2.83Å; D49-C67 PolarHBondContact OD1-N 3.24Å |
| 50 | G | 90.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -14.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | F47 V48 | F47-G50 WeakPolarHBondContact CD1-O 3.39Å; V48-G50 PolarHBondContact O-N 2.88Å |
| 51 | V | 93.5 | Very high | 94.1 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 58% | 0.582 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.6 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | F47 V48 Q53 | F47-V51 CarbonylContact C-O 3.51Å; F47-V51 VanDerWaalsContact CA-O 3.28Å; F47-V51 WeakPolarHBondContact CA-O 3.39Å; V48-V51 PolarHBondContact N-O 3.02Å; V48-V51 WeakPolarHBondContact O-CB 3.47Å; V48-V51 PolarHBondContact O-N 3.17Å; V51-Q53 PolarHBondContact O-N 3.26Å |
| 52 | F | 95.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 66.4 Ų | 66.4 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112 | -177.4 | -176.5 | -111.5 | 0 | 0 | 0 | 112.9 | F47 R54 P71 | F47-F52 HydrophobicContact CD1-CB 3.84Å; F47-F52 HydrophobicContact CD1-CD2 4.04Å; F47-F52 HydrophobicContact CD1-CG 4.43Å; F47-F52 HydrophobicContact CD2-CD2 4.38Å; F47-F52 HydrophobicContact CE1-CB 3.7Å; F47-F52 AromaticContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CD2 3.89Å; F47-F52 HydrophobicContact CE1-CG 4.16Å; F47-F52 HydrophobicContact CE2-CD2 4.24Å; F47-F52 HydrophobicContact CG-CD2 4.3Å; F47-F52 AromaticContact CZ-CD2 3.99Å; F47-F52 HydrophobicContact CZ-CD2 3.99Å; F52-R54 HydrophobicContact CE1-CB 4.07Å; F52-P71 HydrophobicContact CD2-CG 4.41Å; F52-P71 HydrophobicContact CE2-CG 3.78Å |
| 53 | Q | 95.9 | Very high | 94 | Very high | 20 Ų | 20 | 69.7 Ų | 69.7 | 9% | 0.093 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 114.5 | 174.8 | -174.4 | 68.1 | -20.2 | 0 | 0 | 110.5 | C40 G45 V46 V51 P58 | C40-Q53 HydrophobicContact CB-CG 3.82Å; G45-Q53 VanDerWaalsContact CA-O 3.23Å; G45-Q53 WeakPolarHBondContact CA-O 3.35Å; V46-Q53 HydrophobicContact CG1-CB 4.05Å; V46-Q53 PolarHBondContact N-O 2.86Å; V46-Q53 PolarHBondContact O-N 3.11Å; V51-Q53 PolarHBondContact O-N 3.26Å; Q53-P58 PolarHBondContact NE2-O 3.39Å |
| 54 | R | 95.9 | Very high | 93.9 | Very high | 173 Ų | 173 | 68.3 Ų | 68.3 | 65% | 0.653 | 37% | 0.367 | S | S | * | . | trans | -85.8 | 157.6 | 178.6 | 65.1 | 178.9 | 178.1 | 175.5 | -0.1 | 112.4 | F52 G56 A57 | F52-R54 HydrophobicContact CE1-CB 4.07Å; R54-G56 PolarHBondContact O-N 3.31Å; R54-A57 HydrophobicContact CG-CB 3.83Å; R54-A57 WeakPolarHBondContact O-CB 3.34Å; R54-A57 PolarHBondContact O-N 2.85Å | ||
| 55 | R | 95.1 | Very high | 93.9 | Very high | 171 Ų | 171 | 72 Ų | 72 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.3 | 172.6 | -173.9 | 178.2 | -172.6 | -120.2 | -2.9 | 110.6 | C40 L41 A57 | C40-R55 WeakPolarHBondContact O-CA 3.42Å; L41-R55 VanDerWaalsContact O-CD 3.25Å; L41-R55 WeakPolarHBondContact O-CD 3.47Å; L41-R55 WeakPolarHBondContact O-CG 3.33Å; L41-R55 PolarHBondContact O-NE 2.79Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 3.17Å |
| 56 | G | 91.4 | Very high | 93.9 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 10.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C40 R54 | C40-G56 PolarHBondContact O-N 3.08Å; R54-G56 PolarHBondContact O-N 3.31Å |
| 57 | A | 93.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 73.8 Ų | 73.8 | 11% | 0.107 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -67.3 | 157.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R54 R55 | R54-A57 HydrophobicContact CG-CB 3.83Å; R54-A57 WeakPolarHBondContact O-CB 3.34Å; R54-A57 PolarHBondContact O-N 2.85Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 3.17Å |
| 58 | P | 93.5 | Very high | 93.8 | Very high | 106 Ų | 106 | 71.2 Ų | 71.2 | 69% | 0.688 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 148 | 173.9 | -25.8 | 35.2 | 0 | 0 | 0 | 112.1 | Q53 L60 | Q53-P58 PolarHBondContact NE2-O 3.39Å; P58-L60 PolarHBondContact O-N 3.19Å |
| 59 | P | 94 | Very high | 93.8 | Very high | 61 Ų | 61 | 76.5 Ų | 76.5 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 129.1 | 178 | -25.3 | 34.9 | 0 | 0 | 0 | 112.1 | F24 Y37 L38 | F24-P59 HydrophobicContact CE1-CB 3.91Å; F24-P59 HydrophobicContact CE1-CG 4.18Å; F24-P59 HydrophobicContact CZ-CB 3.66Å; F24-P59 HydrophobicContact CZ-CG 3.82Å; Y37-P59 HydrophobicContact CD1-CB 4.37Å; L38-P59 WeakPolarHBondContact O-CA 3.45Å |
| 60 | L | 93.8 | Very high | 93.9 | Very high | 53 Ų | 53 | 72.3 Ų | 72.3 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.2 | 179.7 | 177.6 | 64.7 | 0 | 0 | 0 | 109.1 | Y37 L38 V48 P58 L62 | Y37-L60 CarbonylContact C-O 3.6Å; Y37-L60 WeakPolarHBondContact CA-O 2.98Å; L38-L60 PolarHBondContact N-O 3.06Å; L38-L60 PolarHBondContact O-N 2.98Å; V48-L60 HydrophobicContact CB-CD2 3.89Å; V48-L60 HydrophobicContact CG1-CD2 4.15Å; V48-L60 HydrophobicContact CG2-CD2 3.84Å; P58-L60 PolarHBondContact O-N 3.19Å; L60-L62 PolarHBondContact O-N 2.72Å |
| 61 | Q | 93.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 71.5 Ų | 71.5 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.1 | 170.6 | -166.4 | -178.3 | 8.8 | 0 | 0 | 109.4 | E35 Y37 | E35-Q61 PolarHBondContact OE1-NE2 2.91Å; E35-Q61 PolarHBondContact OE2-NE2 2.94Å; Y37-Q61 HydrophobicContact CD1-CB 3.93Å; Y37-Q61 HydrophobicContact CD1-CG 4.35Å; Y37-Q61 HydrophobicContact CE1-CB 3.67Å; Y37-Q61 HydrophobicContact CE1-CG 3.87Å |
| 62 | L | 93 | Very high | 93.8 | Very high | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 129.7 | -176.8 | -66.6 | -176.7 | 0 | 0 | 0 | 111 | I23 F36 L38 V48 L60 F68 F79 | I23-L62 HydrophobicContact CD1-CD1 4.29Å; I23-L62 HydrophobicContact CG1-CD1 4.32Å; I23-L62 HydrophobicContact CG2-CD1 4.06Å; F36-L62 HydrophobicContact CB-CB 4.17Å; F36-L62 HydrophobicContact CB-CD1 4.29Å; F36-L62 PolarHBondContact O-N 3.09Å; L38-L62 HydrophobicContact CB-CD1 4.13Å; L38-L62 HydrophobicContact CB-CD2 3.7Å; L38-L62 HydrophobicContact CB-CG 3.96Å; L38-L62 HydrophobicContact CD2-CD2 4.26Å; V48-L62 HydrophobicContact CG1-CD2 4.19Å; L60-L62 PolarHBondContact O-N 2.72Å; L62-F68 HydrophobicContact CD1-CE1 4.3Å; L62-F68 HydrophobicContact CD1-CZ 3.8Å; L62-F68 HydrophobicContact CD2-CE1 3.78Å; L62-F68 HydrophobicContact CD2-CZ 4.15Å; L62-F79 HydrophobicContact CB-CD1 4.41Å; L62-F79 HydrophobicContact CB-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CD1 4.12Å; L62-F79 HydrophobicContact CD1-CD2 4.39Å; L62-F79 HydrophobicContact CD1-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CE2 4.32Å; L62-F79 HydrophobicContact CD1-CG 4.3Å; L62-F79 HydrophobicContact CD1-CZ 4.16Å |
| 63 | P | 91.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 66.5 Ų | 66.5 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 161.4 | 165.7 | -21.3 | 32.8 | 0 | 0 | 0 | 111.8 | M65 | P63-M65 PolarHBondContact O-N 3.07Š|
| 64 | R | 89.4 | Confident | 93.3 | Very high | 128 Ų | 128 | 71.2 Ų | 71.2 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -54.2 | -29.9 | 177.3 | -164.3 | -167.8 | -178.5 | 96.6 | 7.8 | 112.8 | T80 A81 S83 D85 | R64-T80 CarbonylContact O-C 3.54Å; R64-T80 WeakPolarHBondContact O-CA 3.44Å; R64-A81 HydrophobicContact CG-CB 4.04Å; R64-A81 PolarHBondContact NE-O 2.98Å; R64-A81 PolarHBondContact O-N 3.24Å; R64-S83 PolarHBondContact NH2-O 3.01Å; R64-D85 IonicContact CZ-OD2 3.64Å; R64-D85 IonicContact NH1-OD2 2.66Å; R64-D85 PolarHBondContact NH1-OD2 3.49Å; R64-D85 IonicContact NH2-OD2 3.8Å |
| 65 | M | 93.1 | Very high | 93 | Very high | 122 Ų | 122 | 65.1 Ų | 65.1 | 60% | 0.601 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.2 | 170.9 | -66.3 | -179.4 | 69.4 | 0 | 0 | 109.6 | P63 F79 T80 | P63-M65 PolarHBondContact O-N 3.07Å; M65-F79 WeakPolarHBondContact CA-O 3.25Å; M65-T80 HydrophobicContact CG-CG2 3.99Å |
| 66 | C | 95 | Very high | 92.8 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.034 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 160.4 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 112 | V48 D49 F68 F79 | V48-C66 HydrophobicContact CG1-CB 4.08Å; D49-C66 VanDerWaalsContact OD2-CA 3.28Å; D49-C66 WeakPolarHBondContact OD2-CA 3.47Å; D49-C66 WeakPolarHBondContact OD2-CB 3.43Å; C66-F68 VanDerWaalsContact SG-CE1 3.55Å; C66-F79 PolarHBondContact N-O 3.13Å; C66-F79 PolarHBondContact O-N 2.95Å; C66-F79 VanDerWaalsContact SG-CD1 3.58Å |
| 67 | C | 96.1 | Very high | 92.9 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.7 | -179.9 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | V48 D49 I77 | V48-C67 WeakPolarHBondContact CA-O 3.25Å; D49-C67 PolarHBondContact N-O 2.83Å; D49-C67 PolarHBondContact OD1-N 3.24Å; C67-I77 CarbonylContact C-O 3.56Å; C67-I77 WeakPolarHBondContact CA-O 3.28Å |
| 68 | F | 96.4 | Very high | 93 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129.3 | 171.7 | -47 | -39.1 | 0 | 0 | 0 | 110.6 | L21 I23 L38 V46 F47 V48 L62 C66 K76 I77 F79 | L21-F68 HydrophobicContact CD1-CD2 4.37Å; L21-F68 HydrophobicContact CD1-CG 4.47Å; I23-F68 HydrophobicContact CD1-CE2 3.71Å; I23-F68 HydrophobicContact CD1-CZ 3.94Å; L38-F68 HydrophobicContact CD1-CZ 4.32Å; L38-F68 HydrophobicContact CD2-CD1 4.26Å; L38-F68 HydrophobicContact CD2-CE1 3.99Å; V46-F68 HydrophobicContact CG2-CB 3.99Å; F47-F68 CarbonylContact O-C 3.59Å; F47-F68 VanDerWaalsContact O-CA 3.31Å; F47-F68 WeakPolarHBondContact O-CA 3.4Å; V48-F68 HydrophobicContact CB-CD1 4.42Å; V48-F68 HydrophobicContact CG1-CD1 4.04Å; V48-F68 HydrophobicContact CG1-CE1 4Å; V48-F68 HydrophobicContact CG2-CD1 3.92Å; V48-F68 HydrophobicContact CG2-CE1 4.27Å; L62-F68 HydrophobicContact CD1-CE1 4.3Å; L62-F68 HydrophobicContact CD1-CZ 3.8Å; L62-F68 HydrophobicContact CD2-CE1 3.78Å; L62-F68 HydrophobicContact CD2-CZ 4.15Å; C66-F68 VanDerWaalsContact SG-CE1 3.55Å; F68-K76 CarbonylContact O-C 3.52Å; F68-K76 VanDerWaalsContact O-CA 3.26Å; F68-K76 WeakPolarHBondContact O-CA 3.23Å; F68-I77 HydrophobicContact CB-CB 4.33Å; F68-I77 HydrophobicContact CD2-CB 4.17Å; F68-I77 HydrophobicContact CD2-CG2 4.23Å; F68-I77 PolarHBondContact N-O 3.48Å; F68-I77 PolarHBondContact O-N 3.37Å; F68-F79 HydrophobicContact CE1-CB 4.41Å; F68-F79 HydrophobicContact CE2-CB 3.7Å; F68-F79 HydrophobicContact CE2-CG 4.41Å; F68-F79 HydrophobicContact CZ-CB 3.58Å; F68-F79 HydrophobicContact CZ-CD2 4.48Å; F68-F79 HydrophobicContact CZ-CG 4.05Å |
| 69 | R | 95.7 | Very high | 93 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.5 | 174.8 | 177.7 | -171.9 | 170.5 | -140.7 | -4.7 | 110.7 | F47 K76 | F47-R69 HydrophobicContact CB-CB 4.34Å; F47-R69 PolarHBondContact N-O 3.24Å; F47-R69 PolarHBondContact O-N 3.39Å; R69-K76 HydrophobicContact CB-CG 4.4Å; R69-K76 HydrophobicContact CG-CG 4.4Å |
| 70 | F | 95.1 | Very high | 93 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 2% | 0.022 | 34% | 0.335 | C | S | . | . | trans | -85.4 | 127.1 | 177.9 | -53.2 | -86.5 | 0 | 0 | 0 | 110.6 | I16 H20 L21 V46 S72 T73 I75 I77 | I16-F70 HydrophobicContact CD1-CB 4.18Å; I16-F70 HydrophobicContact CD1-CD1 4.27Å; I16-F70 HydrophobicContact CD1-CD2 3.44Å; I16-F70 VanDerWaalsContact CD1-CD2 3.44Å; I16-F70 HydrophobicContact CD1-CE2 3.8Å; I16-F70 HydrophobicContact CD1-CG 3.69Å; I16-F70 HydrophobicContact CD1-CZ 4.34Å; I16-F70 HydrophobicContact CG1-CB 4.13Å; I16-F70 HydrophobicContact CG1-CD1 4.08Å; I16-F70 HydrophobicContact CG1-CD2 4.13Å; I16-F70 HydrophobicContact CG1-CG 3.84Å; I16-F70 HydrophobicContact CG2-CE1 4.25Å; I16-F70 HydrophobicContact CG2-CZ 4.4Å; H20-F70 HydrophobicContact CB-CE1 4.25Å; H20-F70 AromaticContact CD2-CE1 3.91Å; H20-F70 AromaticContact CE1-CD1 3.59Å; H20-F70 AromaticContact CG-CE1 3.73Å; H20-F70 AromaticContact ND1-CD1 3.73Å; H20-F70 AromaticContact ND1-CE1 3.76Å; H20-F70 AromaticContact NE2-CD1 3.89Å; L21-F70 HydrophobicContact CD1-CE1 3.73Å; L21-F70 HydrophobicContact CD1-CZ 3.71Å; L21-F70 HydrophobicContact CG-CE1 4.01Å; L21-F70 HydrophobicContact CG-CZ 4.36Å; V46-F70 HydrophobicContact CB-CD1 4.44Å; V46-F70 HydrophobicContact CG2-CD1 4.13Å; V46-F70 HydrophobicContact CG2-CE1 4.17Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 3.31Å; F70-S72 VanDerWaalsContact O-N 3.12Å; F70-T73 HydrophobicContact CB-CG2 4.42Å; F70-T73 PolarHBondContact O-N 2.78Å; F70-T73 VanDerWaalsContact O-N 3.09Å; F70-T73 PolarHBondContact O-OG1 3.04Å; F70-T73 VanDerWaalsContact O-OG1 3.13Å; F70-I75 HydrophobicContact CD2-CB 4.21Å; F70-I75 HydrophobicContact CD2-CG2 3.82Å; F70-I75 HydrophobicContact CE2-CG2 3.92Å; F70-I77 HydrophobicContact CE2-CD1 3.85Å; F70-I77 HydrophobicContact CE2-CG1 4.39Å; F70-I77 HydrophobicContact CZ-CD1 4.15Å | ||
| 71 | P | 91.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 61 Ų | 61 | 26% | 0.26 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -41.3 | -165.9 | -28.7 | 32 | 0 | 0 | 0 | 115.8 | G45 F47 F52 T73 | G45-P71 VanDerWaalsContact O-CD 3.23Å; G45-P71 WeakPolarHBondContact O-CD 3.46Å; F47-P71 HydrophobicContact CD2-CB 4.42Å; F47-P71 HydrophobicContact CD2-CG 3.93Å; F47-P71 HydrophobicContact CE2-CB 3.83Å; F47-P71 HydrophobicContact CE2-CG 3.65Å; F52-P71 HydrophobicContact CD2-CG 4.41Å; F52-P71 HydrophobicContact CE2-CG 3.78Å; P71-T73 VanDerWaalsContact C-N 3.34Å; P71-T73 PolarHBondContact O-N 3.21Å |
| 72 | S | 89.4 | Confident | 92.3 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 19.5 | -174.6 | -45.4 | 0 | 0 | 0 | 0 | 113.9 | F15 F70 | F15-S72 VanDerWaalsContact CD1-CB 3.42Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 3.31Å; F70-S72 VanDerWaalsContact O-N 3.12Å |
| 73 | T | 91.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -141.1 | 163.8 | -177.3 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | F15 I16 F70 P71 I75 | F15-T73 HydrophobicContact CB-CG2 3.85Å; I16-T73 HydrophobicContact CD1-CG2 4.27Å; I16-T73 HydrophobicContact CG1-CG2 4.29Å; F70-T73 HydrophobicContact CB-CG2 4.42Å; F70-T73 PolarHBondContact O-N 2.78Å; F70-T73 VanDerWaalsContact O-N 3.09Å; F70-T73 PolarHBondContact O-OG1 3.04Å; F70-T73 VanDerWaalsContact O-OG1 3.13Å; P71-T73 VanDerWaalsContact C-N 3.34Å; P71-T73 PolarHBondContact O-N 3.21Å; T73-I75 VanDerWaalsContact C-N 3.28Å; T73-I75 WeakPolarHBondContact OG1-CB 3.44Å; T73-I75 PolarHBondContact OG1-N 3.37Å |
| 74 | S | 90.3 | Very high | 89.7 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 83% | 0.832 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -79.7 | -7.3 | 165.5 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | K76 | S74-K76 PolarHBondContact O-N 3.35Š|
| 75 | I | 90.3 | Very high | 88.2 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | trans | -66.7 | 126.8 | -174.6 | -66.5 | 165.1 | 0 | 0 | 0 | 110.1 | M10 I16 F70 T73 I77 | M10-I75 HydrophobicContact CE-CD1 4.23Å; M10-I75 HydrophobicContact CE-CG2 3.69Å; I16-I75 HydrophobicContact CD1-CB 4.48Å; I16-I75 HydrophobicContact CD1-CD1 3.56Å; I16-I75 HydrophobicContact CD1-CG2 4.44Å; F70-I75 HydrophobicContact CD2-CB 4.21Å; F70-I75 HydrophobicContact CD2-CG2 3.82Å; F70-I75 HydrophobicContact CE2-CG2 3.92Å; T73-I75 VanDerWaalsContact C-N 3.28Å; T73-I75 WeakPolarHBondContact OG1-CB 3.44Å; T73-I75 PolarHBondContact OG1-N 3.37Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å | ||
| 76 | K | 91.9 | Very high | 86 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.4 | 166.9 | -64.8 | -177.4 | -178.1 | -179 | 0 | 108.7 | F68 R69 S74 | F68-K76 CarbonylContact O-C 3.52Å; F68-K76 VanDerWaalsContact O-CA 3.26Å; F68-K76 WeakPolarHBondContact O-CA 3.23Å; R69-K76 HydrophobicContact CB-CG 4.4Å; R69-K76 HydrophobicContact CG-CG 4.4Å; S74-K76 PolarHBondContact O-N 3.35Å |
| 77 | I | 93.6 | Very high | 83.6 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.4 | 172.2 | -56.2 | 174.9 | 0 | 0 | 0 | 106.6 | M10 C67 F68 F70 I75 | M10-I77 HydrophobicContact SD-CD1 3.82Å; C67-I77 CarbonylContact C-O 3.56Å; C67-I77 WeakPolarHBondContact CA-O 3.28Å; F68-I77 HydrophobicContact CB-CB 4.33Å; F68-I77 HydrophobicContact CD2-CB 4.17Å; F68-I77 HydrophobicContact CD2-CG2 4.23Å; F68-I77 PolarHBondContact N-O 3.48Å; F68-I77 PolarHBondContact O-N 3.37Å; F70-I77 HydrophobicContact CE2-CD1 3.85Å; F70-I77 HydrophobicContact CE2-CG1 4.39Å; F70-I77 HydrophobicContact CZ-CD1 4.15Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å |
| 78 | T | 94.6 | Very high | 81.2 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 61% | 0.613 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.1 | 171.5 | -54.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 79 | F | 93.8 | Very high | 78.6 | Confident | 27 Ų | 27 | 88.9 Ų | 88.9 | 12% | 0.118 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.9 | 169.4 | 169.5 | -93 | 0 | 0 | 0 | 109.2 | I23 F36 L62 M65 C66 F68 A81 | I23-F79 HydrophobicContact CD1-CD2 4.03Å; I23-F79 HydrophobicContact CD1-CE2 4.39Å; I23-F79 HydrophobicContact CG2-CE2 4.38Å; F36-F79 HydrophobicContact CB-CE1 4.43Å; F36-F79 HydrophobicContact CB-CZ 3.83Å; F36-F79 HydrophobicContact CD1-CE2 4.18Å; F36-F79 AromaticContact CD1-CZ 3.9Å; F36-F79 HydrophobicContact CD1-CZ 3.9Å; F36-F79 AromaticContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CD2-CZ 3.9Å; F36-F79 HydrophobicContact CE1-CZ 4.42Å; F36-F79 HydrophobicContact CE2-CZ 4.43Å; F36-F79 HydrophobicContact CG-CE2 4.34Å; F36-F79 AromaticContact CG-CZ 3.61Å; F36-F79 HydrophobicContact CG-CZ 3.61Å; L62-F79 HydrophobicContact CB-CD1 4.41Å; L62-F79 HydrophobicContact CB-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CD1 4.12Å; L62-F79 HydrophobicContact CD1-CD2 4.39Å; L62-F79 HydrophobicContact CD1-CE1 4.05Å; L62-F79 HydrophobicContact CD1-CE2 4.32Å; L62-F79 HydrophobicContact CD1-CG 4.3Å; L62-F79 HydrophobicContact CD1-CZ 4.16Å; M65-F79 WeakPolarHBondContact CA-O 3.25Å; C66-F79 PolarHBondContact N-O 3.13Å; C66-F79 PolarHBondContact O-N 2.95Å; C66-F79 VanDerWaalsContact SG-CD1 3.58Å; F68-F79 HydrophobicContact CE1-CB 4.41Å; F68-F79 HydrophobicContact CE2-CB 3.7Å; F68-F79 HydrophobicContact CE2-CG 4.41Å; F68-F79 HydrophobicContact CZ-CB 3.58Å; F68-F79 HydrophobicContact CZ-CD2 4.48Å; F68-F79 HydrophobicContact CZ-CG 4.05Å; F79-A81 HydrophobicContact CE1-CB 4.04Å; F79-A81 HydrophobicContact CZ-CB 4.04Å |
| 80 | T | 93.1 | Very high | 76.1 | Confident | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 118 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 108.5 | R64 M65 L82 | R64-T80 CarbonylContact O-C 3.54Å; R64-T80 WeakPolarHBondContact O-CA 3.44Å; M65-T80 HydrophobicContact CG-CG2 3.99Å; T80-L82 HydrophobicContact CG2-CD2 3.98Å; T80-L82 PolarHBondContact O-N 2.88Å |
| 81 | A | 89.5 | Confident | 73.7 | Confident | 5 Ų | 5 | 100.7 Ų | 100.7 | 4% | 0.041 | 53% | 0.53 | C | S | . | . | trans | -74.3 | 117.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F36 R64 F79 S83 | F36-A81 HydrophobicContact CD2-CB 3.92Å; F36-A81 HydrophobicContact CE2-CB 3.75Å; R64-A81 HydrophobicContact CG-CB 4.04Å; R64-A81 PolarHBondContact NE-O 2.98Å; R64-A81 PolarHBondContact O-N 3.24Å; F79-A81 HydrophobicContact CE1-CB 4.04Å; F79-A81 HydrophobicContact CZ-CB 4.04Å; A81-S83 VanDerWaalsContact C-N 3.3Å | ||
| 82 | L | 84.7 | Confident | 71.5 | Confident | 149 Ų | 149 | 105 Ų | 105 | 78% | 0.78 | 56% | 0.555 | S | S | * | * | trans | -92.8 | 20.3 | 178.5 | -59.5 | 179.3 | 0 | 0 | 0 | 112.7 | T80 S84 | T80-L82 HydrophobicContact CG2-CD2 3.98Å; T80-L82 PolarHBondContact O-N 2.88Å; L82-S84 PolarHBondContact O-N 3.2Å | ||
| 83 | S | 72.8 | Confident | 69.4 | Low | 33 Ų | 33 | 107.5 Ų | 107.5 | 23% | 0.231 | 57% | 0.569 | C | S | . | * | trans | -59.8 | 123.9 | 175.8 | 27.8 | 0 | 0 | 0 | 0 | 110.5 | R64 A81 D85 | R64-S83 PolarHBondContact NH2-O 3.01Å; A81-S83 VanDerWaalsContact C-N 3.3Å; S83-D85 PolarHBondContact O-N 3.07Å | ||
| 84 | S | 56.1 | Low | 67.3 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | trans | -79.5 | 105.7 | 179.3 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | L82 K86 | L82-S84 PolarHBondContact O-N 3.2Å; S84-K86 PolarHBondContact O-N 2.79Å | ||
| 85 | D | 57 | Low | 64.9 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | trans | -68.8 | 75.2 | 169 | -62.8 | -86.8 | 0 | 0 | 0 | 110.6 | R64 S83 K87 | R64-D85 IonicContact CZ-OD2 3.64Å; R64-D85 IonicContact NH1-OD2 2.66Å; R64-D85 PolarHBondContact NH1-OD2 3.49Å; R64-D85 IonicContact NH2-OD2 3.8Å; S83-D85 PolarHBondContact O-N 3.07Å; D85-K87 PolarHBondContact O-N 2.83Å | ||
| 86 | K | 47.6 | Very low | 63.3 | Low | 202 Ų | 202 | 117.9 Ų | 117.9 | 88% | 0.878 | 62% | 0.624 | S | S | * | * | trans | -69.2 | 67.3 | 158.5 | -79.5 | -165.5 | 172.7 | -171.9 | 0 | 108.7 | S84 E88 | S84-K86 PolarHBondContact O-N 2.79Å; K86-E88 VanDerWaalsContact C-N 3.28Å; K86-E88 PolarHBondContact O-N 2.98Å | ||
| 87 | K | 45.5 | Very low | 61 | Low | 186 Ų | 186 | 116.7 Ų | 116.7 | 81% | 0.809 | 63% | 0.628 | S | S | * | * | trans | -75.2 | 83.2 | 174.9 | -172.1 | 179.3 | -178.3 | 179.1 | 0 | 108.7 | D85 | D85-K87 PolarHBondContact O-N 2.83Š| ||
| 88 | E | 45.5 | Very low | 59 | Low | 170 Ų | 170 | 123.4 Ų | 123.4 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | -54.6 | 138.7 | 153.2 | -82.2 | -164.7 | 119.3 | 0 | 0 | 108.7 | K86 R90 | K86-E88 VanDerWaalsContact C-N 3.28Å; K86-E88 PolarHBondContact O-N 2.98Å; E88-R90 PolarHBondContact O-N 2.83Å | ||
| 89 | P | 41.7 | Very low | 56.3 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 67% | 0.666 | S | S | * | * | trans | -72.3 | 82.3 | 172.9 | 31 | -33.6 | 0 | 0 | 0 | 109.1 | N91 | P89-N91 PolarHBondContact O-N 3.41Š| ||
| 90 | R | 41.9 | Very low | 53.8 | Low | 219 Ų | 219 | 130.1 Ų | 130.1 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | trans | -56.4 | 108.7 | 171.3 | -179.8 | 177.4 | -73.9 | 172.6 | -3.6 | 108.3 | E88 V92 | E88-R90 PolarHBondContact O-N 2.83Å; R90-V92 PolarHBondContact O-N 3.06Å | ||
| 91 | N | 46.3 | Very low | 51.4 | Low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 136.5 | 176.5 | -87.3 | -67.5 | 0 | 0 | 0 | 110.2 | P89 P93 | P89-N91 PolarHBondContact O-N 3.41Å; N91-P93 WeakPolarHBondContact O-CD 3.16Å |
| 92 | V | 44.2 | Very low | 49.1 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 122.5 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | R90 E94 | R90-V92 PolarHBondContact O-N 3.06Å; V92-E94 PolarHBondContact O-N 3.4Å |
| 93 | P | 46.1 | Very low | 47.3 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.6 | 168.8 | -17.6 | 32.2 | 0 | 0 | 0 | 109.3 | N91 S95 | N91-P93 WeakPolarHBondContact O-CD 3.16Å; P93-S95 PolarHBondContact O-N 3.07Å |
| 94 | E | 47.4 | Very low | 46 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127.3 | 177.2 | -170.5 | 175.3 | 166.1 | 0 | 0 | 110.2 | V92 | V92-E94 PolarHBondContact O-N 3.4Š|
| 95 | S | 39.9 | Very low | 45.2 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -102 | 112.2 | -179 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | P93 V97 | P93-S95 PolarHBondContact O-N 3.07Å; S95-V97 PolarHBondContact O-N 3.24Å | ||
| 96 | P | 55.6 | Low | 44.6 | Very low | 123 Ų | 123 | 146 Ų | 146 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -87.1 | 75.8 | -165.4 | 34.7 | -37.1 | 0 | 0 | 0 | 112.9 | ||||
| 97 | V | 44.3 | Very low | 44.2 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -126.1 | 109.6 | 171.8 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | S95 | S95-V97 PolarHBondContact O-N 3.24Š| ||
| 98 | K | 50.5 | Low | 44.1 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 126.2 | 175.2 | -66.5 | 179.3 | 179 | 177.7 | 0 | 110.5 | V100 | K98-V100 PolarHBondContact O-N 3.35Š|
| 99 | P | 39.3 | Very low | 44.1 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 120.9 | 165.4 | 29.1 | -31.7 | 0 | 0 | 0 | 109.8 | ||
| 100 | V | 40.3 | Very low | 44.1 | Very low | 141 Ų | 141 | 142 Ų | 142 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 130.9 | 171.7 | 175.6 | 0 | 0 | 0 | 0 | 109 | K98 | K98-V100 PolarHBondContact O-N 3.35Š|
| 101 | Q | 43.5 | Very low | 44.4 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 120.9 | -175.5 | -179.2 | -172.4 | 81 | 0 | 0 | 111.1 | Q103 | Q101-Q103 PolarHBondContact O-N 3.41Š|
| 102 | P | 40.5 | Very low | 44.1 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.4 | 167.1 | -16.8 | 32 | 0 | 0 | 0 | 110.6 | ||
| 103 | Q | 46.5 | Very low | 44.2 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -86 | 119.5 | 176.2 | -76.2 | -89.5 | -43.4 | 0 | 0 | 110.6 | Q101 | Q101-Q103 PolarHBondContact O-N 3.41Š|
| 104 | I | 46.1 | Very low | 44 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -140.3 | 120.4 | 159.7 | -50.7 | 179.3 | 0 | 0 | 0 | 108.1 | ||||
| 105 | S | 39.8 | Very low | 43.9 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 135.4 | -178.1 | -46.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 106 | P | 43.6 | Very low | 44 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134.8 | 169 | 29.9 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 107 | L | 40.6 | Very low | 43.5 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 131.8 | 178.9 | -71.2 | 171.8 | 0 | 0 | 0 | 111.5 | ||
| 108 | T | 41.5 | Very low | 43.4 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.7 | 175.3 | -43.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 109 | I | 45.7 | Very low | 42.6 | Very low | 144 Ų | 144 | 142 Ų | 142 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -110.5 | 120.9 | 166.9 | -61.7 | 178.5 | 0 | 0 | 0 | 107.8 | I111 | I109-I111 HydrophobicContact CG2-CG1 4.35Š| ||
| 110 | N | 43.4 | Very low | 42.5 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -85.3 | 130.3 | 172.6 | -78.4 | -76.2 | 0 | 0 | 0 | 110.1 | ||||
| 111 | I | 46.8 | Very low | 43 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -134 | 130.4 | 160.5 | -57.4 | -178.5 | 0 | 0 | 0 | 106.2 | I109 | I109-I111 HydrophobicContact CG2-CG1 4.35Š| ||
| 112 | P | 39.6 | Very low | 42.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 142.4 | -169.3 | -13.4 | 30 | 0 | 0 | 0 | 114 | ||||
| 113 | D | 46.6 | Very low | 43.2 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 123.2 | 167.3 | -64.9 | -69.3 | 0 | 0 | 0 | 111.8 | ||||
| 114 | N | 42.8 | Very low | 42.4 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -159.1 | 158 | 151.6 | -152.9 | -8.4 | 0 | 0 | 0 | 112.6 | ||||
| 115 | I | 45.3 | Very low | 42.5 | Very low | 143 Ų | 143 | 137 Ų | 137 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 66.4 | 67.7 | 168.2 | -38.1 | -178.8 | 0 | 0 | 0 | 116.1 | ||||
| 116 | A | 42.1 | Very low | 42.4 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 65% | 0.645 | 80% | 0.802 | S | S | * | * | 30.7 | 124.6 | 114.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 117 | H | 44.8 | Very low | 42 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | 76.1 | 152.5 | 143.9 | -77.1 | -122 | 0 | 0 | 0 | 120.9 | ||||
| 118 | L | 41.6 | Very low | 42 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 85.6 | 110.1 | 167.2 | -57.4 | 178.2 | 0 | 0 | 0 | 119.3 | ||||
| 119 | M | 34.8 | Very low | 41.6 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 93% | 0.931 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 139.9 | 154.1 | -45.9 | -147.7 | 80.4 | 0 | 0 | 119.5 | ||||
| 120 | S | 36.8 | Very low | 41.4 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -96.7 | 162.6 | 169.4 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 121 | P | 49.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | -147.2 | 164.9 | 92 | 37 | -19.5 | 0 | 0 | 0 | 117.3 | |||||
| 122 | L | 39.7 | Very low | 40.7 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -10 | 152.1 | 151.1 | -74.2 | 167.8 | 0 | 0 | 0 | 119 | ||||
| 123 | P | 48.2 | Very low | 40.7 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | -152 | 170.7 | 53.3 | 43 | -23.1 | 0 | 0 | 0 | 121.1 | |||||
| 124 | S | 31.4 | Very low | 40.1 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 64.9 | 119.7 | 151.9 | -63.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 125 | P | 47.8 | Very low | 40.1 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -91.5 | 160.8 | 171.7 | 37.3 | -34.8 | 0 | 0 | 0 | 113.6 | ||||
| 126 | T | 36.4 | Very low | 40.4 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -155.1 | 141.7 | 165.9 | -79.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 127 | G | 36.7 | Very low | 40.2 | Very low | 58 Ų | 58 | 130.5 Ų | 130.5 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | trans | 104.2 | 93.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 128 | T | 39.9 | Very low | 40 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | 24.8 | 117.9 | 138.2 | 49.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 129 | I | 33.6 | Very low | 40.6 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 92% | 0.923 | 81% | 0.812 | S | S | * | * | trans | -149.2 | 162.6 | 138.3 | 22 | 171.9 | 0 | 0 | 0 | 111.5 | ||||
| 130 | S | 41.6 | Very low | 41.2 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -110.2 | 132.2 | -170.7 | -51.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 131 | A | 36.3 | Very low | 40.9 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -162.8 | 126.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 132 | A | 39.5 | Very low | 40.5 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | 97.4 | 151.7 | 50.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 133 | N | 38.6 | Very low | 40.2 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 93 | 138.5 | 163.6 | -52.6 | -26.2 | 0 | 0 | 0 | 121.1 | ||||
| 134 | S | 34.9 | Very low | 39.6 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 77.8 | 108 | 148.4 | -58.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 135 | C | 43.1 | Very low | 39.6 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -76.3 | 158.2 | 150.6 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 136 | P | 51.2 | Low | 38.9 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -106.2 | 155.6 | 146.4 | 34.9 | -29.2 | 0 | 0 | 0 | 112 | ||||
| 137 | S | 38.3 | Very low | 38.9 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 165.9 | -174.8 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 138 | S | 39.9 | Very low | 39.1 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65 | 158.5 | 173.6 | -34 | 0 | 0 | 0 | 0 | 114.5 | ||
| 139 | P | 53.3 | Low | 38.7 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 161.8 | 154.3 | 34.1 | -33.8 | 0 | 0 | 0 | 112 | ||
| 140 | R | 47.2 | Very low | 38.4 | Very low | 255 Ų | 255 | 128.7 Ų | 128.7 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | trans | -157.7 | 141.9 | -172.2 | -178.4 | 179.5 | -179.3 | 171 | -0.2 | 112.9 | ||||
| 141 | G | 31.7 | Very low | 38.1 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -176.3 | 139 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 142 | A | 40.3 | Very low | 37.9 | Very low | 111 Ų | 111 | 135 Ų | 135 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | cis | 75 | 127.6 | 29.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 143 | G | 33.4 | Very low | 37.7 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | cis | -128.9 | -156.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 144 | L | 35.6 | Very low | 37.5 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | cis | -159.4 | 165.2 | 22.2 | -81.8 | 167.5 | 0 | 0 | 0 | 112.3 | ||||
| 145 | S | 32.7 | Very low | 37.4 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | trans | 5 | 128 | 152.8 | -171.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 146 | S | 33.2 | Very low | 37 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | -161.2 | 147.5 | 109 | -83.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 147 | Y | 36.4 | Very low | 36.4 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 66% | 0.655 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 156.2 | 177.9 | 40.7 | -92 | 0 | 0 | 0 | 112.4 | ||||
| 148 | R | 40.7 | Very low | 36.6 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | -162 | 155.8 | 124.5 | -85.1 | -114.7 | -172.9 | -85.1 | -2.3 | 109.3 | |||||
| 149 | T | 31.2 | Very low | 36.2 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -112.8 | 142.4 | -164.8 | -43.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 150 | S | 28.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -153.9 | 148.5 | 137.4 | -160.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 151 | R | 35.2 | Very low | 34.7 | Very low | 222 Ų | 222 | 137.7 Ų | 137.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -92.5 | -174.4 | 159.8 | -56.4 | 176.6 | -173.9 | 170.9 | 0.4 | 106.7 | ||||
| 152 | V | 31.7 | Very low | 35.1 | Very low | 133 Ų | 133 | 140 Ų | 140 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | cis | -146 | 169.3 | 22.8 | 178 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 153 | L | 35.3 | Very low | 34.7 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -52.7 | 170.7 | 178.8 | -54.8 | 167.3 | 0 | 0 | 0 | 117.8 | ||||
| 154 | T | 34.2 | Very low | 34.9 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -51.3 | 149.4 | 161.3 | 47.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 155 | S | 32.5 | Very low | 35.1 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -161.1 | 152.6 | 139 | -87.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 156 | E | 35.6 | Very low | 35.2 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -91.3 | 157.6 | 166.6 | -59.4 | -178 | 139.9 | 0 | 0 | 110.6 | ||||
| 157 | I | 38 | Very low | 35.7 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | 176.4 | 129.2 | 135.6 | -92.7 | 155.8 | 0 | 0 | 0 | 111.3 | ||||
| 158 | I | 41.4 | Very low | 36.2 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | 9.3 | 135.3 | 147.1 | -41.5 | 171.8 | 0 | 0 | 0 | 118.6 | ||||
| 159 | G | 32.6 | Very low | 36.2 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 167.3 | 63.1 | 157 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 160 | D | 30.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | 57.6 | 167.3 | 146.3 | -144.8 | 9.2 | 0 | 0 | 0 | 123.2 | ||||
| 161 | N | 37.8 | Very low | 37.5 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 69% | 0.69 | 81% | 0.814 | S | S | * | * | trans | -84.7 | 143.5 | -166.1 | 157 | 63.7 | 0 | 0 | 0 | 116 | ||||
| 162 | S | 38.9 | Very low | 37.5 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -174.3 | 158.3 | 137.7 | 33 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 163 | Q | 33 | Very low | 37.9 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -80.9 | 153.6 | 179.6 | -67.7 | 159.7 | -109 | 0 | 0 | 113 | ||||
| 164 | S | 37.3 | Very low | 38.2 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -156.5 | 135 | 131.2 | -8.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 165 | E | 39.7 | Very low | 38.9 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -77 | 148.9 | 167.8 | -66.4 | 151.7 | 122.8 | 0 | 0 | 109.6 | ||||
| 166 | N | 35.5 | Very low | 39.8 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -157.1 | 83.9 | 166.7 | -152.6 | -19.4 | 0 | 0 | 0 | 110.4 | K168 | N166-K168 PolarHBondContact O-N 2.87Š| ||
| 167 | D | 43.4 | Very low | 40.5 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 119.2 | 170.3 | -74.9 | -68.4 | 0 | 0 | 0 | 110.2 | ||||
| 168 | K | 47.7 | Very low | 41.4 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -141.7 | 82.8 | 168.7 | -154.6 | 160.4 | -166.7 | 168.6 | 0 | 112.1 | N166 A170 | N166-K168 PolarHBondContact O-N 2.87Å; K168-A170 PolarHBondContact O-N 3.36Å; K168-A170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | E | 40.5 | Very low | 42.4 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -35.5 | 111.9 | 154.5 | -81.4 | -73 | 121.7 | 0 | 0 | 110.5 | ||||
| 170 | A | 39.8 | Very low | 44.6 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | -141.2 | 101.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | K168 G172 | K168-A170 PolarHBondContact O-N 3.36Å; K168-A170 VanDerWaalsContact O-N 3.08Å; A170-G172 VanDerWaalsContact C-N 3.3Å; A170-G172 PolarHBondContact O-N 3.11Å | ||
| 171 | S | 46.3 | Very low | 47.2 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 90% | 0.895 | 72% | 0.721 | S | S | * | * | trans | -66.2 | 81.1 | -175.2 | 35.8 | 0 | 0 | 0 | 0 | 112.3 | E173 | S171-E173 PolarHBondContact O-N 3.07Š| ||
| 172 | G | 36.3 | Very low | 49.7 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | trans | -95 | 79.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A170 D174 | A170-G172 VanDerWaalsContact C-N 3.3Å; A170-G172 PolarHBondContact O-N 3.11Å; G172-D174 PolarHBondContact O-N 2.91Å | ||
| 173 | E | 39.7 | Very low | 52.1 | Low | 173 Ų | 173 | 121.3 Ų | 121.3 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | trans | -3 | 107.4 | 167.1 | -159.8 | 170.8 | 138.5 | 0 | 0 | 116.5 | S171 S175 | S171-E173 PolarHBondContact O-N 3.07Å; E173-S175 PolarHBondContact O-N 3.41Å | ||
| 174 | D | 41.5 | Very low | 54.9 | Low | 149 Ų | 149 | 114.9 Ų | 114.9 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | trans | -71.3 | 73.8 | 179 | -174.4 | 31 | 0 | 0 | 0 | 111.9 | G172 P176 | G172-D174 PolarHBondContact O-N 2.91Å; D174-P176 VanDerWaalsContact O-CD 3.3Å; D174-P176 WeakPolarHBondContact O-CD 3.37Å | ||
| 175 | S | 47.9 | Very low | 57.7 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | trans | -63.1 | 111.4 | 165 | -74.7 | 0 | 0 | 0 | 0 | 108.9 | E173 K177 | E173-S175 PolarHBondContact O-N 3.41Å; S175-K177 PolarHBondContact O-N 3.26Å | ||
| 176 | P | 51.6 | Low | 60.4 | Low | 107 Ų | 107 | 105 Ų | 105 | 70% | 0.695 | 58% | 0.583 | S | S | * | * | trans | -67.5 | 111.2 | -166.5 | 25.4 | -34.6 | 0 | 0 | 0 | 111.3 | D174 D178 | D174-P176 VanDerWaalsContact O-CD 3.3Å; D174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-D178 HydrophobicContact CB-CB 4.47Å; P176-D178 PolarHBondContact O-N 3.47Å | ||
| 177 | K | 51.4 | Low | 63.2 | Low | 196 Ų | 196 | 98.5 Ų | 98.5 | 85% | 0.852 | 55% | 0.55 | S | S | * | . | trans | -75.1 | 48.6 | 174.2 | -68.7 | 168.5 | -177.2 | 161.5 | 0 | 111.7 | S175 D179 | S175-K177 PolarHBondContact O-N 3.26Å; K177-D179 VanDerWaalsContact C-N 3.32Å; K177-D179 PolarHBondContact O-N 2.99Å | ||
| 178 | D | 57.1 | Low | 65.7 | Low | 67 Ų | 67 | 91.9 Ų | 91.9 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 20.3 | -172.6 | -158.2 | 43.7 | 0 | 0 | 0 | 113.9 | P176 S180 P216 | P176-D178 HydrophobicContact CB-CB 4.47Å; P176-D178 PolarHBondContact O-N 3.47Å; D178-S180 PolarHBondContact O-N 2.96Å; D178-P216 WeakPolarHBondContact OD2-CD 3.34Å |
| 179 | D | 62.6 | Low | 68 | Low | 113 Ų | 113 | 83.3 Ų | 83.3 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 2.4 | 158.6 | -74 | -46.7 | 0 | 0 | 0 | 112.2 | K177 Y217 | K177-D179 VanDerWaalsContact C-N 3.32Å; K177-D179 PolarHBondContact O-N 2.99Å; D179-Y217 WeakPolarHBondContact O-CD2 3.47Å |
| 180 | S | 77.8 | Confident | 70.7 | Confident | 69 Ų | 69 | 74.2 Ų | 74.2 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -71.5 | 144 | 169.8 | 88.9 | 0 | 0 | 0 | 0 | 110.8 | D178 P182 | D178-S180 PolarHBondContact O-N 2.96Å; S180-P182 WeakPolarHBondContact O-CD 3.42Å |
| 181 | K | 86.5 | Confident | 73.4 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 119.9 | 176.8 | -178.8 | 168.9 | -172.5 | 160.6 | 0 | 109.8 | Y186 Y217 Y218 | K181-Y186 PolarHBondContact NZ-OH 2.95Å; K181-Y217 HydrophobicContact CB-CD1 4.13Å; K181-Y217 HydrophobicContact CB-CE1 3.73Å; K181-Y217 HydrophobicContact CB-CE2 4.19Å; K181-Y217 HydrophobicContact CD-CE1 3.86Å; K181-Y217 HydrophobicContact CG-CD1 4.1Å; K181-Y217 HydrophobicContact CG-CE1 3.58Å; K181-Y218 WeakPolarHBondContact CE-OH 3.49Å |
| 182 | P | 88.6 | Confident | 75.8 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 146.8 | -173.1 | 24.9 | -35.7 | 0 | 0 | 0 | 111.9 | S180 Y184 Y215 Y218 | S180-P182 WeakPolarHBondContact O-CD 3.42Å; P182-Y184 HydrophobicContact CB-CD2 4.09Å; P182-Y184 PolarHBondContact O-N 2.81Å; P182-Y215 HydrophobicContact CB-CD1 3.62Å; P182-Y215 HydrophobicContact CB-CE1 3.78Å; P182-Y215 HydrophobicContact CB-CG 4.41Å; P182-Y215 HydrophobicContact CG-CD1 3.64Å; P182-Y215 HydrophobicContact CG-CE1 4.18Å; P182-Y215 HydrophobicContact CG-CG 3.94Å; P182-Y218 HydrophobicContact CG-CE2 3.7Å |
| 183 | P | 90.3 | Very high | 78.7 | Confident | 62 Ų | 62 | 61 Ų | 61 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -76.6 | 35 | -172.7 | 33.5 | -38.4 | 0 | 0 | 0 | 114 | K272 R273 | P183-K272 HydrophobicContact CG-CB 4.17Å; P183-K272 HydrophobicContact CG-CD 4.3Å; P183-K272 HydrophobicContact CG-CG 4.06Å; P183-R273 WeakPolarHBondContact O-CB 3.37Å; P183-R273 WeakPolarHBondContact O-CG 3.21Å; P183-R273 PolarHBondContact O-N 3.42Å |
| 184 | Y | 92.4 | Very high | 81.4 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | trans | -116.3 | 142.8 | 179.1 | -55 | -61 | 0 | 0 | 0 | 110.7 | P182 L189 Y215 K272 | P182-Y184 HydrophobicContact CB-CD2 4.09Å; P182-Y184 PolarHBondContact O-N 2.81Å; Y184-L189 HydrophobicContact CD2-CD2 4.21Å; Y184-L189 HydrophobicContact CG-CD2 4.46Å; Y184-Y215 AromaticContact CD2-CE1 3.97Å; Y184-Y215 HydrophobicContact CD2-CE1 3.97Å; Y184-Y215 AromaticContact CD2-CZ 3.77Å; Y184-Y215 VanDerWaalsContact CD2-OH 3.26Å; Y184-Y215 WeakPolarHBondContact CD2-OH 3.39Å; Y184-Y215 AromaticContact CE2-CE1 3.9Å; Y184-Y215 HydrophobicContact CE2-CE1 3.9Å; Y184-Y215 AromaticContact CE2-CZ 3.85Å; Y184-Y215 WeakPolarHBondContact CE2-OH 3.41Å; Y184-K272 HydrophobicContact CE1-CB 4.33Å; Y184-K272 HydrophobicContact CE1-CG 3.76Å; Y184-K272 WeakPolarHBondContact OH-CG 3.46Å | ||
| 185 | S | 94.6 | Very high | 83.9 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | trans | -76.3 | 156.8 | 171.2 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | A187 Q188 L189 | S185-A187 PolarHBondContact O-N 3.34Å; S185-A187 VanDerWaalsContact O-N 3.16Å; S185-Q188 WeakPolarHBondContact O-CB 3.4Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 WeakPolarHBondContact OG-CG 3.2Å; S185-Q188 PolarHBondContact OG-OE1 3.22Å; S185-L189 PolarHBondContact O-N 3.46Å | ||
| 186 | Y | 96.1 | Very high | 86.1 | Confident | 53 Ų | 53 | 49 Ų | 49 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.3 | -34.2 | 177.6 | -62.7 | -57.6 | 0 | 0 | 0 | 113.1 | K181 L189 I190 Y218 W225 S228 I229 | K181-Y186 PolarHBondContact NZ-OH 2.95Å; Y186-L189 HydrophobicContact CD1-CD1 4.2Å; Y186-L189 PolarHBondContact O-N 2.95Å; Y186-I190 VanDerWaalsContact O-CD1 3.31Å; Y186-I190 WeakPolarHBondContact O-CD1 3.43Å; Y186-I190 WeakPolarHBondContact O-CG1 3.23Å; Y186-I190 PolarHBondContact O-N 2.83Å; Y186-Y218 HydrophobicContact CE1-CE1 4.1Å; Y186-W225 HydrophobicContact CE1-CB 4.32Å; Y186-S228 VanDerWaalsContact CD2-CB 3.46Å; Y186-I229 HydrophobicContact CD1-CD1 4.08Å; Y186-I229 HydrophobicContact CG-CD1 4.49Å |
| 187 | A | 95.6 | Very high | 88.1 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S185 L189 I190 V191 | S185-A187 PolarHBondContact O-N 3.34Å; S185-A187 VanDerWaalsContact O-N 3.16Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.1Å; A187-I190 PolarHBondContact O-N 3.01Å; A187-V191 WeakPolarHBondContact O-CG2 3.5Å; A187-V191 PolarHBondContact O-N 2.99Å |
| 188 | Q | 95.7 | Very high | 90.1 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 176.9 | -68.9 | 166.7 | -71.6 | 0 | 0 | 112.1 | S185 I190 V191 Q192 Q268 R271 R273 | S185-Q188 WeakPolarHBondContact O-CB 3.4Å; S185-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 WeakPolarHBondContact OG-CG 3.2Å; S185-Q188 PolarHBondContact OG-OE1 3.22Å; Q188-I190 VanDerWaalsContact C-N 3.32Å; Q188-I190 PolarHBondContact O-N 3.33Å; Q188-V191 PolarHBondContact O-N 2.86Å; Q188-Q192 VanDerWaalsContact O-CG 3.28Å; Q188-Q192 WeakPolarHBondContact O-CG 3.31Å; Q188-Q192 PolarHBondContact O-N 3.49Å; Q188-Q268 PolarHBondContact NE2-O 3.03Å; Q188-R271 PolarHBondContact NE2-O 3.29Å; Q188-R273 VanDerWaalsContact OE1-CD 3.25Å |
| 189 | L | 96 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -37 | 175.8 | -66.6 | 173.8 | 0 | 0 | 0 | 112.6 | Y184 S185 Y186 A187 A193 I211 Y215 Y218 | Y184-L189 HydrophobicContact CD2-CD2 4.21Å; Y184-L189 HydrophobicContact CG-CD2 4.46Å; S185-L189 PolarHBondContact O-N 3.46Å; Y186-L189 HydrophobicContact CD1-CD1 4.2Å; Y186-L189 PolarHBondContact O-N 2.95Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 3.1Å; L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.43Å; L189-A193 VanDerWaalsContact O-N 3.16Å; L189-I211 HydrophobicContact CB-CD1 3.92Å; L189-I211 HydrophobicContact CB-CG1 4.22Å; L189-Y215 HydrophobicContact CD2-CD2 3.71Å; L189-Y215 HydrophobicContact CD2-CE2 3.28Å; L189-Y218 HydrophobicContact CD1-CE2 3.76Å |
| 190 | I | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | 173.9 | -64.4 | 157.9 | 0 | 0 | 0 | 110.7 | Y186 A187 Q188 A193 I194 I207 I229 N232 L233 F239 | Y186-I190 VanDerWaalsContact O-CD1 3.31Å; Y186-I190 WeakPolarHBondContact O-CD1 3.43Å; Y186-I190 WeakPolarHBondContact O-CG1 3.23Å; Y186-I190 PolarHBondContact O-N 2.83Å; A187-I190 PolarHBondContact O-N 3.01Å; Q188-I190 VanDerWaalsContact C-N 3.32Å; Q188-I190 PolarHBondContact O-N 3.33Å; I190-A193 PolarHBondContact O-N 3.01Å; I190-I194 HydrophobicContact CG2-CD1 3.76Å; I190-I194 HydrophobicContact CG2-CG1 4.41Å; I190-I194 WeakPolarHBondContact O-CG1 3.4Å; I190-I194 PolarHBondContact O-N 2.99Å; I190-I207 HydrophobicContact CG1-CG2 4.11Å; I190-I207 HydrophobicContact CG2-CD1 4.28Å; I190-I229 HydrophobicContact CD1-CD1 4.04Å; I190-I229 HydrophobicContact CD1-CG2 4.23Å; I190-I229 HydrophobicContact CG1-CD1 3.79Å; I190-I229 HydrophobicContact CG1-CG2 4.23Å; I190-N232 HydrophobicContact CD1-CB 3.66Å; I190-L233 HydrophobicContact CD1-CD2 4.15Å; I190-L233 HydrophobicContact CD1-CG 4Å; I190-L233 HydrophobicContact CG2-CD2 3.67Å; I190-F239 HydrophobicContact CB-CE1 4.09Å; I190-F239 HydrophobicContact CB-CE2 4.07Å; I190-F239 HydrophobicContact CB-CZ 3.55Å; I190-F239 HydrophobicContact CD1-CE2 3.91Å; I190-F239 HydrophobicContact CD1-CZ 4.29Å; I190-F239 HydrophobicContact CG2-CD1 3.98Å; I190-F239 HydrophobicContact CG2-CD2 4.42Å; I190-F239 HydrophobicContact CG2-CE1 3.4Å; I190-F239 VanDerWaalsContact CG2-CE1 3.4Å; I190-F239 HydrophobicContact CG2-CE2 3.88Å; I190-F239 HydrophobicContact CG2-CG 4.46Å; I190-F239 HydrophobicContact CG2-CZ 3.34Å |
| 191 | V | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -53.3 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | A187 Q188 A193 I194 T195 F239 I257 L265 A269 | A187-V191 WeakPolarHBondContact O-CG2 3.5Å; A187-V191 PolarHBondContact O-N 2.99Å; Q188-V191 PolarHBondContact O-N 2.86Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 3.29Å; V191-I194 PolarHBondContact O-N 3.26Å; V191-I194 VanDerWaalsContact O-N 3.12Å; V191-T195 HydrophobicContact CG1-CG2 3.87Å; V191-T195 WeakPolarHBondContact O-CB 3.3Å; V191-T195 VanDerWaalsContact O-CG2 3.23Å; V191-T195 WeakPolarHBondContact O-CG2 3.46Å; V191-T195 PolarHBondContact O-N 3.26Å; V191-T195 PolarHBondContact O-OG1 3.06Å; V191-F239 HydrophobicContact CG2-CE1 3.89Å; V191-F239 HydrophobicContact CG2-CZ 3.9Å; V191-I257 HydrophobicContact CB-CD1 4.37Å; V191-I257 HydrophobicContact CG1-CD1 3.85Å; V191-I257 HydrophobicContact CG2-CD1 4.36Å; V191-L265 HydrophobicContact CG1-CB 4.21Å; V191-L265 HydrophobicContact CG2-CB 4.22Å; V191-L265 HydrophobicContact CG2-CD2 3.68Å; V191-L265 HydrophobicContact CG2-CG 3.97Å; V191-A269 HydrophobicContact CB-CB 3.99Å; V191-A269 HydrophobicContact CG1-CB 3.55Å |
| 192 | Q | 95.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -48.9 | -50 | 175.3 | -69.7 | 168.8 | 6.6 | 0 | 0 | 111.3 | Q188 I194 T195 M196 Y215 A269 F270 | Q188-Q192 VanDerWaalsContact O-CG 3.28Å; Q188-Q192 WeakPolarHBondContact O-CG 3.31Å; Q188-Q192 PolarHBondContact O-N 3.49Å; Q192-I194 PolarHBondContact O-N 3.12Å; Q192-T195 WeakPolarHBondContact CA-OG1 3.42Å; Q192-T195 PolarHBondContact O-N 2.98Å; Q192-T195 PolarHBondContact O-OG1 3.39Å; Q192-M196 WeakPolarHBondContact O-CB 3.38Å; Q192-M196 WeakPolarHBondContact O-CG 3.44Å; Q192-M196 PolarHBondContact O-N 3.47Å; Q192-Y215 PolarHBondContact OE1-OH 3.47Å; Q192-A269 HydrophobicContact CG-CB 4.12Å; Q192-A269 PolarHBondContact NE2-O 2.8Å; Q192-F270 HydrophobicContact CG-CD1 4.38Å; Q192-F270 HydrophobicContact CG-CE1 3.96Å; Q192-F270 HydrophobicContact CG-CZ 4.22Å |
| 193 | A | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L189 I190 V191 L202 H210 | L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.43Å; L189-A193 VanDerWaalsContact O-N 3.16Å; I190-A193 PolarHBondContact O-N 3.01Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 3.29Å; A193-L202 HydrophobicContact CB-CD2 3.96Å; A193-H210 VanDerWaalsContact CA-CD2 3.47Å; A193-H210 WeakPolarHBondContact CA-CD2 3.42Å; A193-H210 HydrophobicContact CB-CB 3.86Å; A193-H210 VanDerWaalsContact CB-CD2 3.44Å; A193-H210 WeakPolarHBondContact CB-CD2 3.47Å |
| 194 | I | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.4 | -36.2 | 178.2 | -65.9 | 172.1 | 0 | 0 | 0 | 111.1 | I190 V191 Q192 A197 K200 L202 F239 W255 I257 | I190-I194 HydrophobicContact CG2-CD1 3.76Å; I190-I194 HydrophobicContact CG2-CG1 4.41Å; I190-I194 WeakPolarHBondContact O-CG1 3.4Å; I190-I194 PolarHBondContact O-N 2.99Å; V191-I194 PolarHBondContact O-N 3.26Å; V191-I194 VanDerWaalsContact O-N 3.12Å; Q192-I194 PolarHBondContact O-N 3.12Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.42Å; I194-K200 WeakPolarHBondContact CG2-O 3.49Å; I194-L202 HydrophobicContact CG1-CB 4.09Å; I194-F239 HydrophobicContact CD1-CD1 4.21Å; I194-F239 HydrophobicContact CD1-CE1 4.29Å; I194-W255 HydrophobicContact CD1-CB 4.3Å; I194-I257 HydrophobicContact CB-CD1 4.14Å; I194-I257 HydrophobicContact CB-CG1 4.36Å; I194-I257 HydrophobicContact CD1-CG1 4.31Å; I194-I257 HydrophobicContact CG2-CD1 3.97Å; I194-I257 HydrophobicContact CG2-CG1 4.02Å |
| 195 | T | 94.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.4 | -23.6 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | V191 Q192 A197 I257 I266 | V191-T195 HydrophobicContact CG1-CG2 3.87Å; V191-T195 WeakPolarHBondContact O-CB 3.3Å; V191-T195 VanDerWaalsContact O-CG2 3.23Å; V191-T195 WeakPolarHBondContact O-CG2 3.46Å; V191-T195 PolarHBondContact O-N 3.26Å; V191-T195 PolarHBondContact O-OG1 3.06Å; Q192-T195 WeakPolarHBondContact CA-OG1 3.42Å; Q192-T195 PolarHBondContact O-N 2.98Å; Q192-T195 PolarHBondContact O-OG1 3.39Å; T195-A197 VanDerWaalsContact C-N 3.31Å; T195-I257 HydrophobicContact CG2-CD1 3.67Å; T195-I266 HydrophobicContact CG2-CD1 4.08Å; T195-I266 HydrophobicContact CG2-CG1 3.55Å |
| 196 | M | 93.8 | Very high | 95.3 | Very high | 108 Ų | 108 | 39.6 Ų | 39.6 | 53% | 0.532 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.3 | 172.6 | -66.4 | 172.9 | 70.2 | 0 | 0 | 112.6 | Q192 H210 | Q192-M196 WeakPolarHBondContact O-CB 3.38Å; Q192-M196 WeakPolarHBondContact O-CG 3.44Å; Q192-M196 PolarHBondContact O-N 3.47Å; M196-H210 VanDerWaalsContact SD-CE1 3.57Å |
| 197 | A | 93.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -88.5 | 135.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I194 T195 D199 K200 Q201 L202 | I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.42Å; T195-A197 VanDerWaalsContact C-N 3.31Å; A197-D199 PolarHBondContact O-N 3.09Å; A197-K200 PolarHBondContact O-N 2.98Å; A197-K200 VanDerWaalsContact O-N 3.09Å; A197-Q201 WeakPolarHBondContact CB-O 3.33Å; A197-L202 HydrophobicContact CB-CD1 4.05Å |
| 198 | P | 92.8 | Very high | 95.3 | Very high | 138 Ų | 138 | 37.8 Ų | 37.8 | 90% | 0.896 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29 | -176.8 | 27.4 | -35.2 | 0 | 0 | 0 | 112.7 | ||
| 199 | D | 91.8 | Very high | 95.3 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8 | 179.7 | 57.6 | -21.1 | 0 | 0 | 0 | 113.5 | A197 Q201 | A197-D199 PolarHBondContact O-N 3.09Å; D199-Q201 HydrophobicContact CB-CG 3.95Å; D199-Q201 PolarHBondContact O-N 3.23Å; D199-Q201 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q201 PolarHBondContact OD2-NE2 3.35Å |
| 200 | K | 94.1 | Very high | 95.3 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 48.8 | 31.5 | -176.6 | -68.9 | -173.7 | 165 | -157.3 | 0 | 113.9 | I194 A197 E262 | I194-K200 WeakPolarHBondContact CG2-O 3.49Å; A197-K200 PolarHBondContact O-N 2.98Å; A197-K200 VanDerWaalsContact O-N 3.09Å; K200-E262 WeakPolarHBondContact CD-OE1 3.11Å; K200-E262 VanDerWaalsContact CE-OE1 3.25Å; K200-E262 WeakPolarHBondContact CE-OE1 3.23Å; K200-E262 IonicContact NZ-OE1 2.86Å; K200-E262 PolarHBondContact NZ-OE1 2.88Å; K200-E262 IonicContact NZ-OE2 2.66Å; K200-E262 PolarHBondContact NZ-OE2 2.91Å |
| 201 | Q | 94.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 42 Ų | 42 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.3 | 179 | 67.5 | -175.7 | -0.5 | 0 | 0 | 109.2 | A197 D199 F254 W255 R256 | A197-Q201 WeakPolarHBondContact CB-O 3.33Å; D199-Q201 HydrophobicContact CB-CG 3.95Å; D199-Q201 PolarHBondContact O-N 3.23Å; D199-Q201 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q201 PolarHBondContact OD2-NE2 3.35Å; Q201-F254 HydrophobicContact CB-CD1 4.41Å; Q201-F254 HydrophobicContact CG-CD1 3.89Å; Q201-F254 HydrophobicContact CG-CE1 4.3Å; Q201-F254 HydrophobicContact CG-CG 4.42Å; Q201-W255 CarbonylContact C-O 3.58Å; Q201-W255 WeakPolarHBondContact CA-O 3.46Å; Q201-R256 HydrophobicContact CB-CG 3.31Å |
| 202 | L | 95.5 | Very high | 95.2 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142.5 | 178 | -150 | 63.8 | 0 | 0 | 0 | 112 | A193 I194 A197 G206 I207 H210 W255 | A193-L202 HydrophobicContact CB-CD2 3.96Å; I194-L202 HydrophobicContact CG1-CB 4.09Å; A197-L202 HydrophobicContact CB-CD1 4.05Å; L202-G206 VanDerWaalsContact CD2-C 3.43Å; L202-I207 HydrophobicContact CB-CG1 4.01Å; L202-I207 HydrophobicContact CD2-CB 4.44Å; L202-I207 HydrophobicContact CD2-CG1 3.83Å; L202-I207 HydrophobicContact CG-CG1 4.18Å; L202-H210 HydrophobicContact CD2-CB 4.27Å; L202-W255 PolarHBondContact N-O 2.82Å; L202-W255 PolarHBondContact O-N 3.04Å |
| 203 | T | 96.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 155.4 | 172.6 | 71.4 | 0 | 0 | 0 | 0 | 109.9 | N205 G206 I207 F254 | T203-N205 PolarHBondContact O-N 3.28Å; T203-N205 VanDerWaalsContact O-N 3.13Å; T203-G206 WeakPolarHBondContact O-CA 3.5Å; T203-G206 PolarHBondContact O-N 3.44Å; T203-G206 PolarHBondContact OG1-N 3.03Å; T203-I207 WeakPolarHBondContact O-CG1 3.48Å; T203-I207 PolarHBondContact O-N 2.8Å; T203-F254 HydrophobicContact CG2-CD1 3.8Å; T203-F254 HydrophobicContact CG2-CE1 3.67Å; T203-F254 HydrophobicContact CG2-CZ 4.37Å |
| 204 | L | 96 | Very high | 94.9 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.4 | -35.5 | 175.3 | 177.9 | 62.8 | 0 | 0 | 0 | 112.7 | Y208 I229 R230 L233 | L204-Y208 HydrophobicContact CD1-CE1 3.9Å; L204-Y208 HydrophobicContact CD1-CE2 4.45Å; L204-Y208 HydrophobicContact CG-CE1 4.39Å; L204-Y208 HydrophobicContact CG-CE2 4.04Å; L204-Y208 WeakPolarHBondContact O-CD2 3.29Å; L204-Y208 PolarHBondContact O-N 2.9Å; L204-I229 HydrophobicContact CD1-CG2 4.28Å; L204-R230 HydrophobicContact CD1-CG 3.96Å; L204-R230 HydrophobicContact CD2-CG 3.97Å; L204-L233 HydrophobicContact CD1-CD1 3.56Å |
| 205 | N | 95.5 | Very high | 94.7 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 59% | 0.594 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.7 | -44.3 | 175.6 | -167.7 | 75.2 | 0 | 0 | 0 | 111.7 | T203 I207 Y208 T209 | T203-N205 PolarHBondContact O-N 3.28Å; T203-N205 VanDerWaalsContact O-N 3.13Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 2.69Å; N205-Y208 WeakPolarHBondContact O-CB 3.41Å; N205-Y208 PolarHBondContact O-N 2.82Å; N205-T209 PolarHBondContact O-N 3.2Å; N205-T209 PolarHBondContact O-OG1 2.67Å |
| 206 | G | 95.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L202 T203 Y208 T209 H210 | L202-G206 VanDerWaalsContact CD2-C 3.43Å; T203-G206 WeakPolarHBondContact O-CA 3.5Å; T203-G206 PolarHBondContact O-N 3.44Å; T203-G206 PolarHBondContact OG1-N 3.03Å; G206-Y208 VanDerWaalsContact C-N 3.34Å; G206-Y208 PolarHBondContact O-N 3.01Å; G206-T209 PolarHBondContact O-N 2.97Å; G206-H210 WeakPolarHBondContact O-CB 3.45Å; G206-H210 PolarHBondContact O-N 2.88Å |
| 207 | I | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174 | -63.6 | 166.2 | 0 | 0 | 0 | 110.7 | I190 L202 T203 N205 I211 I229 L233 W255 | I190-I207 HydrophobicContact CG1-CG2 4.11Å; I190-I207 HydrophobicContact CG2-CD1 4.28Å; L202-I207 HydrophobicContact CB-CG1 4.01Å; L202-I207 HydrophobicContact CD2-CB 4.44Å; L202-I207 HydrophobicContact CD2-CG1 3.83Å; L202-I207 HydrophobicContact CG-CG1 4.18Å; T203-I207 WeakPolarHBondContact O-CG1 3.48Å; T203-I207 PolarHBondContact O-N 2.8Å; N205-I207 VanDerWaalsContact C-N 3.28Å; N205-I207 PolarHBondContact O-N 2.69Å; I207-I211 HydrophobicContact CG2-CD1 3.88Å; I207-I211 WeakPolarHBondContact O-CB 3.23Å; I207-I211 VanDerWaalsContact O-CG1 3.29Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 3.12Å; I207-I211 VanDerWaalsContact O-N 3.09Å; I207-I229 HydrophobicContact CG2-CG2 3.8Å; I207-L233 HydrophobicContact CD1-CD1 3.93Å; I207-L233 HydrophobicContact CD1-CD2 4.04Å; I207-W255 HydrophobicContact CD1-CB 4.31Å |
| 208 | Y | 96.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 174.5 | -54.5 | -35.9 | 0 | 0 | 0 | 111.3 | L204 N205 G206 H210 I211 T212 W225 Q226 I229 R230 | L204-Y208 HydrophobicContact CD1-CE1 3.9Å; L204-Y208 HydrophobicContact CD1-CE2 4.45Å; L204-Y208 HydrophobicContact CG-CE1 4.39Å; L204-Y208 HydrophobicContact CG-CE2 4.04Å; L204-Y208 WeakPolarHBondContact O-CD2 3.29Å; L204-Y208 PolarHBondContact O-N 2.9Å; N205-Y208 WeakPolarHBondContact O-CB 3.41Å; N205-Y208 PolarHBondContact O-N 2.82Å; G206-Y208 VanDerWaalsContact C-N 3.34Å; G206-Y208 PolarHBondContact O-N 3.01Å; Y208-H210 PolarHBondContact O-N 3.42Å; Y208-I211 PolarHBondContact O-N 3.25Å; Y208-T212 PolarHBondContact O-N 2.85Å; Y208-T212 PolarHBondContact O-OG1 2.8Å; Y208-W225 HydrophobicContact CD1-CH2 4.1Å; Y208-W225 AromaticContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CG-CH2 4.37Å; Y208-Q226 HydrophobicContact CD1-CB 4.2Å; Y208-Q226 HydrophobicContact CD1-CG 3.96Å; Y208-Q226 HydrophobicContact CE1-CB 3.63Å; Y208-Q226 HydrophobicContact CE1-CG 3.91Å; Y208-Q226 HydrophobicContact CG-CG 4.37Å; Y208-I229 HydrophobicContact CD1-CG2 4.35Å; Y208-I229 HydrophobicContact CE1-CB 4.17Å; Y208-I229 HydrophobicContact CE1-CG2 3.98Å; Y208-R230 WeakPolarHBondContact OH-CG 3.29Å; Y208-R230 PolarHBondContact OH-NH1 3.35Å |
| 209 | T | 96.3 | Very high | 94.3 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | N205 G206 T212 K213 | N205-T209 PolarHBondContact O-N 3.2Å; N205-T209 PolarHBondContact O-OG1 2.67Å; G206-T209 PolarHBondContact O-N 2.97Å; T209-T212 PolarHBondContact O-N 3.12Å; T209-T212 PolarHBondContact O-OG1 2.78Å; T209-T212 VanDerWaalsContact O-OG1 3.13Å; T209-K213 VanDerWaalsContact O-CB 3.29Å; T209-K213 WeakPolarHBondContact O-CB 3.31Å; T209-K213 PolarHBondContact O-N 2.85Å |
| 210 | H | 95.8 | Very high | 94 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.2 | -177.2 | 102 | 0 | 0 | 0 | 111.2 | A193 M196 L202 G206 Y208 K213 N214 | A193-H210 VanDerWaalsContact CA-CD2 3.47Å; A193-H210 WeakPolarHBondContact CA-CD2 3.42Å; A193-H210 HydrophobicContact CB-CB 3.86Å; A193-H210 VanDerWaalsContact CB-CD2 3.44Å; A193-H210 WeakPolarHBondContact CB-CD2 3.47Å; M196-H210 VanDerWaalsContact SD-CE1 3.57Å; L202-H210 HydrophobicContact CD2-CB 4.27Å; G206-H210 WeakPolarHBondContact O-CB 3.45Å; G206-H210 PolarHBondContact O-N 2.88Å; Y208-H210 PolarHBondContact O-N 3.42Å; H210-K213 PolarHBondContact O-N 3.39Å; H210-N214 PolarHBondContact CD2-ND2 2.97Å; H210-N214 VanDerWaalsContact CD2-ND2 3.35Å; H210-N214 PolarHBondContact CE1-ND2 3Å; H210-N214 PolarHBondContact NE2-ND2 3.19Å; H210-N214 VanDerWaalsContact NE2-ND2 3.11Å; H210-N214 PolarHBondContact O-N 3.16Å; H210-N214 PolarHBondContact O-ND2 2.85Å |
| 211 | I | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 179 | -69 | 171.6 | 0 | 0 | 0 | 110.6 | L189 I207 Y208 K213 Y215 Y218 W225 I229 | L189-I211 HydrophobicContact CB-CD1 3.92Å; L189-I211 HydrophobicContact CB-CG1 4.22Å; I207-I211 HydrophobicContact CG2-CD1 3.88Å; I207-I211 WeakPolarHBondContact O-CB 3.23Å; I207-I211 VanDerWaalsContact O-CG1 3.29Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 3.12Å; I207-I211 VanDerWaalsContact O-N 3.09Å; Y208-I211 PolarHBondContact O-N 3.25Å; I211-K213 VanDerWaalsContact C-N 3.33Å; I211-K213 PolarHBondContact O-N 2.84Å; I211-Y215 WeakPolarHBondContact O-CB 3.42Å; I211-Y215 PolarHBondContact O-N 3.39Å; I211-Y218 HydrophobicContact CG2-CD2 3.43Å; I211-Y218 VanDerWaalsContact CG2-CD2 3.43Å; I211-Y218 HydrophobicContact CG2-CE2 4.08Å; I211-Y218 HydrophobicContact CG2-CG 3.8Å; I211-W225 HydrophobicContact CB-CH2 4.41Å; I211-W225 HydrophobicContact CB-CZ3 4.28Å; I211-W225 HydrophobicContact CD1-CZ3 4.33Å; I211-W225 HydrophobicContact CG2-CH2 4.26Å; I211-W225 HydrophobicContact CG2-CZ3 4.03Å; I211-I229 HydrophobicContact CD1-CD1 3.46Å; I211-I229 VanDerWaalsContact CD1-CD1 3.46Å; I211-I229 HydrophobicContact CD1-CG1 4.15Å |
| 212 | T | 94.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 23% | 0.233 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.4 | -25.7 | 176.4 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | Y208 T209 R219 W225 | Y208-T212 PolarHBondContact O-N 2.85Å; Y208-T212 PolarHBondContact O-OG1 2.8Å; T209-T212 PolarHBondContact O-N 3.12Å; T209-T212 PolarHBondContact O-OG1 2.78Å; T209-T212 VanDerWaalsContact O-OG1 3.13Å; T212-R219 HydrophobicContact CG2-CG 4.48Å; T212-R219 PolarHBondContact O-NE 3.07Å; T212-R219 PolarHBondContact O-NH2 3.48Å; T212-W225 HydrophobicContact CG2-CH2 3.91Å; T212-W225 HydrophobicContact CG2-CZ2 3.62Å |
| 213 | K | 94.1 | Very high | 93 | Very high | 163 Ų | 163 | 64.6 Ų | 64.6 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.4 | -51.9 | 173.5 | -174.2 | 174.6 | 178.5 | -179.1 | 0 | 110.9 | T209 H210 I211 R219 | T209-K213 VanDerWaalsContact O-CB 3.29Å; T209-K213 WeakPolarHBondContact O-CB 3.31Å; T209-K213 PolarHBondContact O-N 2.85Å; H210-K213 PolarHBondContact O-N 3.39Å; I211-K213 VanDerWaalsContact C-N 3.33Å; I211-K213 PolarHBondContact O-N 2.84Å; K213-R219 PolarHBondContact O-NH2 2.96Å |
| 214 | N | 92.4 | Very high | 92.9 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -83.3 | -22.6 | -172.8 | -65.6 | -87.6 | 0 | 0 | 0 | 114.5 | H210 | H210-N214 PolarHBondContact CD2-ND2 2.97Å; H210-N214 VanDerWaalsContact CD2-ND2 3.35Å; H210-N214 PolarHBondContact CE1-ND2 3Å; H210-N214 PolarHBondContact NE2-ND2 3.19Å; H210-N214 VanDerWaalsContact NE2-ND2 3.11Å; H210-N214 PolarHBondContact O-N 3.16Å; H210-N214 PolarHBondContact O-ND2 2.85Å |
| 215 | Y | 92.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 13% | 0.129 | 33% | 0.331 | C | S | . | . | trans | -129.7 | 97.5 | -175.3 | -61.1 | -69.9 | 0 | 0 | 0 | 111 | P182 Y184 L189 Q192 I211 Y217 Y218 | P182-Y215 HydrophobicContact CB-CD1 3.62Å; P182-Y215 HydrophobicContact CB-CE1 3.78Å; P182-Y215 HydrophobicContact CB-CG 4.41Å; P182-Y215 HydrophobicContact CG-CD1 3.64Å; P182-Y215 HydrophobicContact CG-CE1 4.18Å; P182-Y215 HydrophobicContact CG-CG 3.94Å; Y184-Y215 AromaticContact CD2-CE1 3.97Å; Y184-Y215 HydrophobicContact CD2-CE1 3.97Å; Y184-Y215 AromaticContact CD2-CZ 3.77Å; Y184-Y215 VanDerWaalsContact CD2-OH 3.26Å; Y184-Y215 WeakPolarHBondContact CD2-OH 3.39Å; Y184-Y215 AromaticContact CE2-CE1 3.9Å; Y184-Y215 HydrophobicContact CE2-CE1 3.9Å; Y184-Y215 AromaticContact CE2-CZ 3.85Å; Y184-Y215 WeakPolarHBondContact CE2-OH 3.41Å; L189-Y215 HydrophobicContact CD2-CD2 3.71Å; L189-Y215 HydrophobicContact CD2-CE2 3.28Å; Q192-Y215 PolarHBondContact OE1-OH 3.47Å; I211-Y215 WeakPolarHBondContact O-CB 3.42Å; I211-Y215 PolarHBondContact O-N 3.39Å; Y215-Y217 VanDerWaalsContact C-N 3.28Å; Y215-Y217 PolarHBondContact O-N 3.23Å; Y215-Y218 PolarHBondContact O-N 3.09Å; Y215-Y218 VanDerWaalsContact O-N 3.13Å | ||
| 216 | P | 90.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -41.7 | -175.2 | -28.7 | 36.1 | 0 | 0 | 0 | 114.2 | D178 Y218 R219 | D178-P216 WeakPolarHBondContact OD2-CD 3.34Å; P216-Y218 PolarHBondContact O-N 3.13Å; P216-R219 VanDerWaalsContact O-CB 3.23Å; P216-R219 WeakPolarHBondContact O-CB 3.48Å; P216-R219 VanDerWaalsContact O-CG 3.3Å; P216-R219 WeakPolarHBondContact O-CG 3.28Å; P216-R219 PolarHBondContact O-N 3.16Å |
| 217 | Y | 92.2 | Very high | 92.8 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 26% | 0.255 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -42.2 | -39.6 | 174.9 | 173.1 | -105.9 | 0 | 0 | 0 | 114.9 | D179 K181 Y215 R219 T220 A221 | D179-Y217 WeakPolarHBondContact O-CD2 3.47Å; K181-Y217 HydrophobicContact CB-CD1 4.13Å; K181-Y217 HydrophobicContact CB-CE1 3.73Å; K181-Y217 HydrophobicContact CB-CE2 4.19Å; K181-Y217 HydrophobicContact CD-CE1 3.86Å; K181-Y217 HydrophobicContact CG-CD1 4.1Å; K181-Y217 HydrophobicContact CG-CE1 3.58Å; Y215-Y217 VanDerWaalsContact C-N 3.28Å; Y215-Y217 PolarHBondContact O-N 3.23Å; Y217-R219 VanDerWaalsContact C-N 3.29Å; Y217-R219 PolarHBondContact O-N 3Å; Y217-T220 PolarHBondContact O-OG1 3.47Å; Y217-A221 HydrophobicContact CE1-CB 4.35Å; Y217-A221 VanDerWaalsContact O-CB 3.23Å; Y217-A221 WeakPolarHBondContact O-CB 3.3Å; Y217-A221 PolarHBondContact O-N 2.96Å |
| 218 | Y | 92.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -80.7 | -3.8 | -177.3 | -68.4 | -66 | 0 | 0 | 0 | 114.4 | K181 P182 Y186 L189 I211 Y215 P216 W225 | K181-Y218 WeakPolarHBondContact CE-OH 3.49Å; P182-Y218 HydrophobicContact CG-CE2 3.7Å; Y186-Y218 HydrophobicContact CE1-CE1 4.1Å; L189-Y218 HydrophobicContact CD1-CE2 3.76Å; I211-Y218 HydrophobicContact CG2-CD2 3.43Å; I211-Y218 VanDerWaalsContact CG2-CD2 3.43Å; I211-Y218 HydrophobicContact CG2-CE2 4.08Å; I211-Y218 HydrophobicContact CG2-CG 3.8Å; Y215-Y218 PolarHBondContact O-N 3.09Å; Y215-Y218 VanDerWaalsContact O-N 3.13Å; P216-Y218 PolarHBondContact O-N 3.13Å; Y218-W225 HydrophobicContact CD1-CB 3.96Å; Y218-W225 AromaticContact CD1-CD1 3.77Å; Y218-W225 AromaticContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CE3 4.38Å; Y218-W225 AromaticContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CE1-CB 4.01Å; Y218-W225 HydrophobicContact CE1-CG 4.18Å; Y218-W225 HydrophobicContact CG-CD2 4.37Å; Y218-W225 WeakPolarHBondContact O-CZ2 3.5Å; Y218-W225 PolarHBondContact O-NE1 3.35Å |
| 219 | R | 91.2 | Very high | 92.9 | Very high | 150 Ų | 150 | 64.6 Ų | 64.6 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -75.1 | -43 | 173.1 | -59.7 | 171.2 | -170.5 | 154.6 | 8.8 | 111.6 | T212 K213 P216 Y217 | T212-R219 HydrophobicContact CG2-CG 4.48Å; T212-R219 PolarHBondContact O-NE 3.07Å; T212-R219 PolarHBondContact O-NH2 3.48Å; K213-R219 PolarHBondContact O-NH2 2.96Å; P216-R219 VanDerWaalsContact O-CB 3.23Å; P216-R219 WeakPolarHBondContact O-CB 3.48Å; P216-R219 VanDerWaalsContact O-CG 3.3Å; P216-R219 WeakPolarHBondContact O-CG 3.28Å; P216-R219 PolarHBondContact O-N 3.16Å; Y217-R219 VanDerWaalsContact C-N 3.29Å; Y217-R219 PolarHBondContact O-N 3Å |
| 220 | T | 86.4 | Confident | 92.9 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 72% | 0.718 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -95.2 | -26.2 | -176.4 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | Y217 | Y217-T220 PolarHBondContact O-OG1 3.47Å |
| 221 | A | 85.9 | Confident | 93 | Very high | 27 Ų | 27 | 69 Ų | 69 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -66.1 | 146.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y217 | Y217-A221 HydrophobicContact CE1-CB 4.35Å; Y217-A221 VanDerWaalsContact O-CB 3.23Å; Y217-A221 WeakPolarHBondContact O-CB 3.3Å; Y217-A221 PolarHBondContact O-N 2.96Å |
| 222 | D | 86.6 | Confident | 93 | Very high | 147 Ų | 147 | 70.1 Ų | 70.1 | 79% | 0.786 | 35% | 0.353 | S | S | * | . | trans | -46.9 | 140.4 | 179.3 | -77.4 | -50.6 | 0 | 0 | 0 | 114.4 | G224 W225 | D222-G224 PolarHBondContact O-N 3.44Å; D222-W225 PolarHBondContact O-N 2.91Å; D222-W225 VanDerWaalsContact O-N 3.14Å | ||
| 223 | K | 90.3 | Very high | 93.1 | Very high | 169 Ų | 169 | 68.4 Ų | 68.4 | 74% | 0.735 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -5.3 | 177 | -60.3 | -178.7 | -176.7 | 176.6 | 0 | 114.6 | W225 Q226 | K223-W225 PolarHBondContact O-N 3.14Å; K223-Q226 WeakPolarHBondContact O-CB 3.29Å; K223-Q226 PolarHBondContact O-N 3.22Å |
| 224 | G | 92.7 | Very high | 93.2 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.3 | -33 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114 | D222 Q226 N227 S228 | D222-G224 PolarHBondContact O-N 3.44Å; G224-Q226 VanDerWaalsContact C-N 3.29Å; G224-Q226 PolarHBondContact O-N 3.18Å; G224-N227 VanDerWaalsContact O-CB 3.3Å; G224-N227 WeakPolarHBondContact O-CB 3.39Å; G224-N227 PolarHBondContact O-N 3.36Å; G224-S228 PolarHBondContact O-N 3.41Å |
| 225 | W | 94.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 66.8 Ų | 66.8 | 5% | 0.053 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 177.2 | 71.5 | -105 | 0 | 0 | 0 | 112.4 | Y186 Y208 I211 T212 Y218 D222 K223 N227 S228 I229 | Y186-W225 HydrophobicContact CE1-CB 4.32Å; Y208-W225 HydrophobicContact CD1-CH2 4.1Å; Y208-W225 AromaticContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CD1-CZ3 3.87Å; Y208-W225 HydrophobicContact CG-CH2 4.37Å; I211-W225 HydrophobicContact CB-CH2 4.41Å; I211-W225 HydrophobicContact CB-CZ3 4.28Å; I211-W225 HydrophobicContact CD1-CZ3 4.33Å; I211-W225 HydrophobicContact CG2-CH2 4.26Å; I211-W225 HydrophobicContact CG2-CZ3 4.03Å; T212-W225 HydrophobicContact CG2-CH2 3.91Å; T212-W225 HydrophobicContact CG2-CZ2 3.62Å; Y218-W225 HydrophobicContact CD1-CB 3.96Å; Y218-W225 AromaticContact CD1-CD1 3.77Å; Y218-W225 AromaticContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CD2 3.83Å; Y218-W225 HydrophobicContact CD1-CE3 4.38Å; Y218-W225 AromaticContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CD1-CG 3.62Å; Y218-W225 HydrophobicContact CE1-CB 4.01Å; Y218-W225 HydrophobicContact CE1-CG 4.18Å; Y218-W225 HydrophobicContact CG-CD2 4.37Å; Y218-W225 WeakPolarHBondContact O-CZ2 3.5Å; Y218-W225 PolarHBondContact O-NE1 3.35Å; D222-W225 PolarHBondContact O-N 2.91Å; D222-W225 VanDerWaalsContact O-N 3.14Å; K223-W225 PolarHBondContact O-N 3.14Å; W225-N227 PolarHBondContact O-N 2.76Å; W225-S228 WeakPolarHBondContact O-CA 3.32Å; W225-S228 WeakPolarHBondContact O-CB 3.45Å; W225-S228 PolarHBondContact O-N 3.16Å; W225-I229 HydrophobicContact CE3-CG1 3.88Å; W225-I229 HydrophobicContact CZ3-CG1 4.06Å; W225-I229 PolarHBondContact O-N 2.95Å |
| 226 | Q | 95.6 | Very high | 93.4 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -30.2 | 174.7 | -59.8 | -178.4 | -7.3 | 0 | 0 | 111.8 | Y208 K223 G224 I229 R230 | Y208-Q226 HydrophobicContact CD1-CB 4.2Å; Y208-Q226 HydrophobicContact CD1-CG 3.96Å; Y208-Q226 HydrophobicContact CE1-CB 3.63Å; Y208-Q226 HydrophobicContact CE1-CG 3.91Å; Y208-Q226 HydrophobicContact CG-CG 4.37Å; K223-Q226 WeakPolarHBondContact O-CB 3.29Å; K223-Q226 PolarHBondContact O-N 3.22Å; G224-Q226 VanDerWaalsContact C-N 3.29Å; G224-Q226 PolarHBondContact O-N 3.18Å; Q226-I229 PolarHBondContact O-N 3.48Å; Q226-R230 WeakPolarHBondContact O-CG 2.91Å; Q226-R230 PolarHBondContact O-N 3.31Å; Q226-R230 VanDerWaalsContact O-N 3.1Å; Q226-R230 PolarHBondContact O-NH1 3.06Å |
| 227 | N | 96.3 | Very high | 93.5 | Very high | 93 Ų | 93 | 76.6 Ų | 76.6 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | 173.3 | -157.2 | 52.8 | 0 | 0 | 0 | 111.7 | G224 W225 I229 R230 H231 | G224-N227 VanDerWaalsContact O-CB 3.3Å; G224-N227 WeakPolarHBondContact O-CB 3.39Å; G224-N227 PolarHBondContact O-N 3.36Å; W225-N227 PolarHBondContact O-N 2.76Å; N227-I229 VanDerWaalsContact C-N 3.3Å; N227-I229 PolarHBondContact O-N 3.04Å; N227-R230 PolarHBondContact O-N 3.23Å; N227-R230 PolarHBondContact OD1-NE 3.45Å; N227-R230 PolarHBondContact OD1-NH2 3.28Å; N227-H231 WeakPolarHBondContact O-CB 3.46Å; N227-H231 PolarHBondContact O-N 2.84Å |
| 228 | S | 96.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 76.3 Ų | 76.3 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 171.8 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | Y186 G224 W225 H231 N232 | Y186-S228 VanDerWaalsContact CD2-CB 3.46Å; G224-S228 PolarHBondContact O-N 3.41Å; W225-S228 WeakPolarHBondContact O-CA 3.32Å; W225-S228 WeakPolarHBondContact O-CB 3.45Å; W225-S228 PolarHBondContact O-N 3.16Å; S228-H231 PolarHBondContact O-N 3.11Å; S228-N232 PolarHBondContact O-N 2.86Å; S228-N232 PolarHBondContact O-ND2 2.99Å |
| 229 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -52.1 | 173.7 | -65.6 | -67.1 | 0 | 0 | 0 | 111.3 | Y186 I190 L204 I207 Y208 I211 W225 Q226 N227 H231 N232 L233 | Y186-I229 HydrophobicContact CD1-CD1 4.08Å; Y186-I229 HydrophobicContact CG-CD1 4.49Å; I190-I229 HydrophobicContact CD1-CD1 4.04Å; I190-I229 HydrophobicContact CD1-CG2 4.23Å; I190-I229 HydrophobicContact CG1-CD1 3.79Å; I190-I229 HydrophobicContact CG1-CG2 4.23Å; L204-I229 HydrophobicContact CD1-CG2 4.28Å; I207-I229 HydrophobicContact CG2-CG2 3.8Å; Y208-I229 HydrophobicContact CD1-CG2 4.35Å; Y208-I229 HydrophobicContact CE1-CB 4.17Å; Y208-I229 HydrophobicContact CE1-CG2 3.98Å; I211-I229 HydrophobicContact CD1-CD1 3.46Å; I211-I229 VanDerWaalsContact CD1-CD1 3.46Å; I211-I229 HydrophobicContact CD1-CG1 4.15Å; W225-I229 HydrophobicContact CE3-CG1 3.88Å; W225-I229 HydrophobicContact CZ3-CG1 4.06Å; W225-I229 PolarHBondContact O-N 2.95Å; Q226-I229 PolarHBondContact O-N 3.48Å; N227-I229 VanDerWaalsContact C-N 3.3Å; N227-I229 PolarHBondContact O-N 3.04Å; I229-H231 PolarHBondContact O-N 3.35Å; I229-N232 PolarHBondContact O-N 3.43Å; I229-L233 HydrophobicContact CG2-CD1 4.07Å; I229-L233 WeakPolarHBondContact O-CG 3.42Å; I229-L233 PolarHBondContact O-N 3.15Å |
| 230 | R | 97.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 72.6 Ų | 72.6 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.3 | -38.6 | 176 | -69.7 | -175.5 | -60.1 | -94.9 | 11.4 | 112.7 | L204 Y208 Q226 N227 S234 | L204-R230 HydrophobicContact CD1-CG 3.96Å; L204-R230 HydrophobicContact CD2-CG 3.97Å; Y208-R230 WeakPolarHBondContact OH-CG 3.29Å; Y208-R230 PolarHBondContact OH-NH1 3.35Å; Q226-R230 WeakPolarHBondContact O-CG 2.91Å; Q226-R230 PolarHBondContact O-N 3.31Å; Q226-R230 VanDerWaalsContact O-N 3.1Å; Q226-R230 PolarHBondContact O-NH1 3.06Å; N227-R230 PolarHBondContact O-N 3.23Å; N227-R230 PolarHBondContact OD1-NE 3.45Å; N227-R230 PolarHBondContact OD1-NH2 3.28Å; R230-S234 PolarHBondContact O-N 2.93Å; R230-S234 PolarHBondContact O-OG 2.81Å |
| 231 | H | 96.8 | Very high | 94.6 | Very high | 102 Ų | 102 | 73.9 Ų | 73.9 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 174.8 | 177.6 | 45.5 | 0 | 0 | 0 | 112 | N227 S228 I229 L233 S234 L235 | N227-H231 WeakPolarHBondContact O-CB 3.46Å; N227-H231 PolarHBondContact O-N 2.84Å; S228-H231 PolarHBondContact O-N 3.11Å; I229-H231 PolarHBondContact O-N 3.35Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 3.13Å; H231-S234 PolarHBondContact O-N 2.8Å; H231-S234 PolarHBondContact O-OG 2.98Å; H231-L235 WeakPolarHBondContact O-CB 3.38Å; H231-L235 PolarHBondContact O-N 3.04Å |
| 232 | N | 97.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 74.8 Ų | 74.8 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 179.6 | -84.5 | -101.3 | 0 | 0 | 0 | 112.6 | I190 S228 I229 S234 N236 | I190-N232 HydrophobicContact CD1-CB 3.66Å; S228-N232 PolarHBondContact O-N 2.86Å; S228-N232 PolarHBondContact O-ND2 2.99Å; I229-N232 PolarHBondContact O-N 3.43Å; N232-S234 VanDerWaalsContact C-N 3.28Å; N232-S234 PolarHBondContact O-N 3.3Å; N232-N236 PolarHBondContact O-N 3.27Å; N232-N236 PolarHBondContact O-ND2 2.66Å |
| 233 | L | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 174.4 | -72 | 169 | 0 | 0 | 0 | 113.7 | I190 L204 I207 I229 H231 F239 W255 | I190-L233 HydrophobicContact CD1-CD2 4.15Å; I190-L233 HydrophobicContact CD1-CG 4Å; I190-L233 HydrophobicContact CG2-CD2 3.67Å; L204-L233 HydrophobicContact CD1-CD1 3.56Å; I207-L233 HydrophobicContact CD1-CD1 3.93Å; I207-L233 HydrophobicContact CD1-CD2 4.04Å; I229-L233 HydrophobicContact CG2-CD1 4.07Å; I229-L233 WeakPolarHBondContact O-CG 3.42Å; I229-L233 PolarHBondContact O-N 3.15Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 3.13Å; L233-F239 HydrophobicContact CD2-CB 4.14Å; L233-F239 HydrophobicContact CD2-CD2 4.09Å; L233-F239 HydrophobicContact CD2-CG 4.02Å; L233-W255 HydrophobicContact CB-CD2 4.24Å; L233-W255 HydrophobicContact CB-CE3 4.14Å; L233-W255 HydrophobicContact CB-CH2 3.94Å; L233-W255 HydrophobicContact CB-CZ2 4.06Å; L233-W255 HydrophobicContact CB-CZ3 3.98Å; L233-W255 HydrophobicContact CD1-CD2 4.23Å; L233-W255 HydrophobicContact CD1-CG 4.31Å; L233-W255 HydrophobicContact CD2-CB 4.15Å; L233-W255 HydrophobicContact CD2-CD2 3.81Å; L233-W255 HydrophobicContact CD2-CE3 3.92Å; L233-W255 HydrophobicContact CD2-CG 3.91Å; L233-W255 HydrophobicContact CG-CD2 4.32Å; L233-W255 WeakPolarHBondContact O-CZ3 3.49Å |
| 234 | S | 95 | Very high | 95.1 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -99.2 | -19.9 | 179.3 | 45.2 | 0 | 0 | 0 | 0 | 114 | R230 H231 N232 | R230-S234 PolarHBondContact O-N 2.93Å; R230-S234 PolarHBondContact O-OG 2.81Å; H231-S234 PolarHBondContact O-N 2.8Å; H231-S234 PolarHBondContact O-OG 2.98Å; N232-S234 VanDerWaalsContact C-N 3.28Å; N232-S234 PolarHBondContact O-N 3.3Å |
| 235 | L | 94.8 | Very high | 94.7 | Very high | 105 Ų | 105 | 67 Ų | 67 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.8 | -38 | 177.2 | -179.5 | 68 | 0 | 0 | 0 | 112.5 | H231 | H231-L235 WeakPolarHBondContact O-CB 3.38Å; H231-L235 PolarHBondContact O-N 3.04Å |
| 236 | N | 94.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 75.4 Ų | 75.4 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | trans | -101.7 | 115.5 | -170.5 | -63.1 | -77.6 | 0 | 0 | 0 | 111.2 | N232 Y238 F239 | N232-N236 PolarHBondContact O-N 3.27Å; N232-N236 PolarHBondContact O-ND2 2.66Å; N236-Y238 HydrophobicContact CB-CD1 4.12Å; N236-Y238 HydrophobicContact CB-CD2 3.92Å; N236-Y238 HydrophobicContact CB-CE1 3.7Å; N236-Y238 HydrophobicContact CB-CE2 3.52Å; N236-Y238 HydrophobicContact CB-CG 4.23Å; N236-Y238 VanDerWaalsContact CG-CZ 3.45Å; N236-Y238 PolarHBondContact O-N 2.79Å; N236-Y238 VanDerWaalsContact O-N 3.11Å; N236-Y238 PolarHBondContact OD1-OH 2.86Å; N236-F239 HydrophobicContact CB-CD2 3.95Å; N236-F239 HydrophobicContact CB-CE2 4.34Å; N236-F239 PolarHBondContact O-N 3.2Å | ||
| 237 | R | 93.7 | Very high | 92.9 | Very high | 238 Ų | 238 | 81 Ų | 81 | 90% | 0.898 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.1 | -177.6 | -67.2 | -177 | -179.9 | 166.6 | -1.1 | 114.7 | F239 | R237-F239 PolarHBondContact O-N 3.45Š|
| 238 | Y | 95.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 82.4 Ų | 82.4 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -8.1 | 176.1 | 52.8 | -112.5 | 0 | 0 | 0 | 114 | N236 I257 D258 S261 L265 | N236-Y238 HydrophobicContact CB-CD1 4.12Å; N236-Y238 HydrophobicContact CB-CD2 3.92Å; N236-Y238 HydrophobicContact CB-CE1 3.7Å; N236-Y238 HydrophobicContact CB-CE2 3.52Å; N236-Y238 HydrophobicContact CB-CG 4.23Å; N236-Y238 VanDerWaalsContact CG-CZ 3.45Å; N236-Y238 PolarHBondContact O-N 2.79Å; N236-Y238 VanDerWaalsContact O-N 3.11Å; N236-Y238 PolarHBondContact OD1-OH 2.86Å; Y238-I257 CarbonylContact O-C 3.55Å; Y238-I257 WeakPolarHBondContact O-CA 3.33Å; Y238-D258 PolarHBondContact O-N 3.04Å; Y238-S261 WeakPolarHBondContact CB-OG 3.27Å; Y238-L265 HydrophobicContact CD1-CD1 4.35Å; Y238-L265 HydrophobicContact CD2-CD2 3.39Å; Y238-L265 HydrophobicContact CD2-CG 4.46Å; Y238-L265 HydrophobicContact CE2-CD2 3.75Å; Y238-L265 HydrophobicContact CG-CD1 4.34Å; Y238-L265 HydrophobicContact CG-CD2 3.79Å |
| 239 | F | 96.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 86.9 Ų | 86.9 | 4% | 0.039 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 102.8 | 166.9 | -65.7 | -47.6 | 0 | 0 | 0 | 109.5 | I190 V191 I194 L233 N236 R237 W255 R256 I257 | I190-F239 HydrophobicContact CB-CE1 4.09Å; I190-F239 HydrophobicContact CB-CE2 4.07Å; I190-F239 HydrophobicContact CB-CZ 3.55Å; I190-F239 HydrophobicContact CD1-CE2 3.91Å; I190-F239 HydrophobicContact CD1-CZ 4.29Å; I190-F239 HydrophobicContact CG2-CD1 3.98Å; I190-F239 HydrophobicContact CG2-CD2 4.42Å; I190-F239 HydrophobicContact CG2-CE1 3.4Å; I190-F239 VanDerWaalsContact CG2-CE1 3.4Å; I190-F239 HydrophobicContact CG2-CE2 3.88Å; I190-F239 HydrophobicContact CG2-CG 4.46Å; I190-F239 HydrophobicContact CG2-CZ 3.34Å; V191-F239 HydrophobicContact CG2-CE1 3.89Å; V191-F239 HydrophobicContact CG2-CZ 3.9Å; I194-F239 HydrophobicContact CD1-CD1 4.21Å; I194-F239 HydrophobicContact CD1-CE1 4.29Å; L233-F239 HydrophobicContact CD2-CB 4.14Å; L233-F239 HydrophobicContact CD2-CD2 4.09Å; L233-F239 HydrophobicContact CD2-CG 4.02Å; N236-F239 HydrophobicContact CB-CD2 3.95Å; N236-F239 HydrophobicContact CB-CE2 4.34Å; N236-F239 PolarHBondContact O-N 3.2Å; R237-F239 PolarHBondContact O-N 3.45Å; F239-W255 HydrophobicContact CB-CE3 4.19Å; F239-W255 HydrophobicContact CB-CZ3 4.49Å; F239-R256 CarbonylContact C-O 3.57Å; F239-R256 WeakPolarHBondContact CA-O 3.41Å; F239-I257 HydrophobicContact CD1-CG1 4.35Å; F239-I257 HydrophobicContact CE1-CG1 4.2Å |
| 240 | I | 96.1 | Very high | 89.9 | Confident | 67 Ų | 67 | 88.4 Ų | 88.4 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.1 | -179.9 | 63.6 | 177.7 | 0 | 0 | 0 | 110.2 | V242 W255 R256 D258 | I240-V242 HydrophobicContact CD1-CG2 4.43Å; I240-V242 HydrophobicContact CG1-CG2 4.2Å; I240-W255 WeakPolarHBondContact O-CA 3.4Å; I240-R256 HydrophobicContact CD1-CB 4.17Å; I240-R256 HydrophobicContact CG1-CB 3.76Å; I240-R256 PolarHBondContact N-O 2.83Å; I240-R256 PolarHBondContact O-N 3.05Å; I240-D258 HydrophobicContact CG2-CB 4.21Å |
| 241 | K | 96.3 | Very high | 89.1 | Confident | 144 Ų | 144 | 93.8 Ų | 93.8 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.6 | 175.8 | -177.7 | -167.7 | 170.9 | -164.5 | 0 | 108.9 | S253 W255 | K241-S253 WeakPolarHBondContact CE-OG 3.26Å; K241-W255 HydrophobicContact CB-CE3 4.09Å; K241-W255 HydrophobicContact CB-CH2 3.96Å; K241-W255 HydrophobicContact CB-CZ2 4.36Å; K241-W255 HydrophobicContact CB-CZ3 3.8Å; K241-W255 HydrophobicContact CG-CH2 4.36Å; K241-W255 HydrophobicContact CG-CZ2 4.31Å |
| 242 | V | 94.1 | Very high | 88.7 | Confident | 45 Ų | 45 | 91.5 Ų | 91.5 | 27% | 0.273 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.3 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | I240 S253 F254 R256 | I240-V242 HydrophobicContact CD1-CG2 4.43Å; I240-V242 HydrophobicContact CG1-CG2 4.2Å; V242-S253 WeakPolarHBondContact O-CB 3.35Å; V242-F254 HydrophobicContact CB-CB 4.26Å; V242-F254 PolarHBondContact N-O 3.19Å; V242-F254 PolarHBondContact O-N 2.86Å; V242-R256 HydrophobicContact CG2-CB 4.23Å; V242-R256 HydrophobicContact CG2-CG 3.96Å |
| 243 | A | 91.9 | Very high | 88.5 | Confident | 78 Ų | 78 | 91.6 Ų | 91.6 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 157.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 244 | R | 87.8 | Confident | 88.5 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 22% | 0.223 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 157 | 167.3 | -61.9 | -170.2 | -176.8 | -84.4 | 3.9 | 109.5 | G250 K251 G252 F254 | R244-G250 VanDerWaalsContact CD-O 3.23Å; R244-G250 WeakPolarHBondContact CD-O 2.96Å; R244-G250 VanDerWaalsContact NE-C 3.34Å; R244-G250 PolarHBondContact NE-O 2.8Å; R244-K251 PolarHBondContact NH2-O 2.99Å; R244-G252 PolarHBondContact NE-O 3.38Å; R244-F254 HydrophobicContact CB-CE2 4.49Å; R244-F254 HydrophobicContact CG-CD2 4.02Å; R244-F254 HydrophobicContact CG-CE2 3.94Å; R244-F254 VanDerWaalsContact NH1-CE2 3.33Å; R244-F254 VanDerWaalsContact NH1-CZ 3.32Å |
| 245 | S | 84.4 | Confident | 88.6 | Confident | 63 Ų | 63 | 91 Ų | 91 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 146.9 | 157 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | E247 E248 | S245-E247 PolarHBondContact O-N 2.81Å; S245-E248 PolarHBondContact O-N 3.31Å |
| 246 | Q | 76.4 | Confident | 88.6 | Confident | 190 Ų | 190 | 90.4 Ų | 90.4 | 89% | 0.888 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.1 | 178.4 | -178.1 | 58.8 | 26.6 | 0 | 0 | 112.7 | E248 | Q246-E248 VanDerWaalsContact C-N 3.34Š|
| 247 | E | 76.8 | Confident | 88.7 | Confident | 167 Ų | 167 | 89.2 Ų | 89.2 | 78% | 0.78 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.3 | 175.3 | -178.6 | 177.6 | -138.5 | 0 | 0 | 113.5 | S245 P249 | S245-E247 PolarHBondContact O-N 2.81Å; E247-P249 WeakPolarHBondContact O-CD 3.28Å |
| 248 | E | 75 | Confident | 88.8 | Confident | 123 Ų | 123 | 80.6 Ų | 80.6 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | trans | -111.4 | 91.5 | -173.1 | -86.4 | -69.1 | 150 | 0 | 0 | 110.9 | S245 Q246 G250 | S245-E248 PolarHBondContact O-N 3.31Å; Q246-E248 VanDerWaalsContact C-N 3.34Å; E248-G250 PolarHBondContact O-N 3.5Å | ||
| 249 | P | 70.5 | Confident | 88.8 | Confident | 129 Ų | 129 | 82 Ų | 82 | 84% | 0.838 | 44% | 0.441 | S | S | * | . | trans | -73.4 | 51.9 | -175.5 | 30.9 | -37.3 | 0 | 0 | 0 | 113.8 | E247 | E247-P249 WeakPolarHBondContact O-CD 3.28Š| ||
| 250 | G | 80.4 | Confident | 88.7 | Confident | 33 Ų | 33 | 85.8 Ų | 85.8 | 34% | 0.34 | 47% | 0.474 | S | S | . | . | trans | -86.6 | 144.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R244 E248 G252 | R244-G250 VanDerWaalsContact CD-O 3.23Å; R244-G250 WeakPolarHBondContact CD-O 2.96Å; R244-G250 VanDerWaalsContact NE-C 3.34Å; R244-G250 PolarHBondContact NE-O 2.8Å; E248-G250 PolarHBondContact O-N 3.5Å; G250-G252 PolarHBondContact O-N 2.75Å | ||
| 251 | K | 80.8 | Confident | 88.5 | Confident | 207 Ų | 207 | 83.6 Ų | 83.6 | 90% | 0.9 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -62 | 126.5 | 177.7 | -174 | 172.4 | -177.4 | 171 | 0 | 112.4 | R244 | R244-K251 PolarHBondContact NH2-O 2.99Š|
| 252 | G | 88.5 | Confident | 88.3 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 84.2 | -157.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R244 G250 | R244-G252 PolarHBondContact NE-O 3.38Å; G250-G252 PolarHBondContact O-N 2.75Å |
| 253 | S | 94 | Very high | 88.2 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | trans | -131.8 | 160.9 | -172.8 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | K241 V242 | K241-S253 WeakPolarHBondContact CE-OG 3.26Å; V242-S253 WeakPolarHBondContact O-CB 3.35Å | ||
| 254 | F | 95.4 | Very high | 88.3 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 17% | 0.167 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 154.2 | 169.4 | -70.8 | -78.5 | 0 | 0 | 0 | 110.7 | Q201 T203 V242 R244 | Q201-F254 HydrophobicContact CB-CD1 4.41Å; Q201-F254 HydrophobicContact CG-CD1 3.89Å; Q201-F254 HydrophobicContact CG-CE1 4.3Å; Q201-F254 HydrophobicContact CG-CG 4.42Å; T203-F254 HydrophobicContact CG2-CD1 3.8Å; T203-F254 HydrophobicContact CG2-CE1 3.67Å; T203-F254 HydrophobicContact CG2-CZ 4.37Å; V242-F254 HydrophobicContact CB-CB 4.26Å; V242-F254 PolarHBondContact N-O 3.19Å; V242-F254 PolarHBondContact O-N 2.86Å; R244-F254 HydrophobicContact CB-CE2 4.49Å; R244-F254 HydrophobicContact CG-CD2 4.02Å; R244-F254 HydrophobicContact CG-CE2 3.94Å; R244-F254 VanDerWaalsContact NH1-CE2 3.33Å; R244-F254 VanDerWaalsContact NH1-CZ 3.32Å |
| 255 | W | 96.8 | Very high | 88.4 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 15% | 0.152 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.8 | 170.7 | -67.7 | 91.7 | 0 | 0 | 0 | 108.9 | I194 Q201 L202 I207 L233 F239 I240 K241 | I194-W255 HydrophobicContact CD1-CB 4.3Å; Q201-W255 CarbonylContact C-O 3.58Å; Q201-W255 WeakPolarHBondContact CA-O 3.46Å; L202-W255 PolarHBondContact N-O 2.82Å; L202-W255 PolarHBondContact O-N 3.04Å; I207-W255 HydrophobicContact CD1-CB 4.31Å; L233-W255 HydrophobicContact CB-CD2 4.24Å; L233-W255 HydrophobicContact CB-CE3 4.14Å; L233-W255 HydrophobicContact CB-CH2 3.94Å; L233-W255 HydrophobicContact CB-CZ2 4.06Å; L233-W255 HydrophobicContact CB-CZ3 3.98Å; L233-W255 HydrophobicContact CD1-CD2 4.23Å; L233-W255 HydrophobicContact CD1-CG 4.31Å; L233-W255 HydrophobicContact CD2-CB 4.15Å; L233-W255 HydrophobicContact CD2-CD2 3.81Å; L233-W255 HydrophobicContact CD2-CE3 3.92Å; L233-W255 HydrophobicContact CD2-CG 3.91Å; L233-W255 HydrophobicContact CG-CD2 4.32Å; L233-W255 WeakPolarHBondContact O-CZ3 3.49Å; F239-W255 HydrophobicContact CB-CE3 4.19Å; F239-W255 HydrophobicContact CB-CZ3 4.49Å; I240-W255 WeakPolarHBondContact O-CA 3.4Å; K241-W255 HydrophobicContact CB-CE3 4.09Å; K241-W255 HydrophobicContact CB-CH2 3.96Å; K241-W255 HydrophobicContact CB-CZ2 4.36Å; K241-W255 HydrophobicContact CB-CZ3 3.8Å; K241-W255 HydrophobicContact CG-CH2 4.36Å; K241-W255 HydrophobicContact CG-CZ2 4.31Å |
| 256 | R | 96 | Very high | 88.8 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 161.8 | 176.1 | -67.3 | -173.3 | 73 | 179 | -6.1 | 110 | Q201 F239 I240 V242 | Q201-R256 HydrophobicContact CB-CG 3.31Å; F239-R256 CarbonylContact C-O 3.57Å; F239-R256 WeakPolarHBondContact CA-O 3.41Å; I240-R256 HydrophobicContact CD1-CB 4.17Å; I240-R256 HydrophobicContact CG1-CB 3.76Å; I240-R256 PolarHBondContact N-O 2.83Å; I240-R256 PolarHBondContact O-N 3.05Å; V242-R256 HydrophobicContact CG2-CB 4.23Å; V242-R256 HydrophobicContact CG2-CG 3.96Å |
| 257 | I | 96.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 138.7 | 164.5 | -59.7 | 158.7 | 0 | 0 | 0 | 107.5 | V191 I194 T195 Y238 F239 P259 E262 L265 | V191-I257 HydrophobicContact CB-CD1 4.37Å; V191-I257 HydrophobicContact CG1-CD1 3.85Å; V191-I257 HydrophobicContact CG2-CD1 4.36Å; I194-I257 HydrophobicContact CB-CD1 4.14Å; I194-I257 HydrophobicContact CB-CG1 4.36Å; I194-I257 HydrophobicContact CD1-CG1 4.31Å; I194-I257 HydrophobicContact CG2-CD1 3.97Å; I194-I257 HydrophobicContact CG2-CG1 4.02Å; T195-I257 HydrophobicContact CG2-CD1 3.67Å; Y238-I257 CarbonylContact O-C 3.55Å; Y238-I257 WeakPolarHBondContact O-CA 3.33Å; F239-I257 HydrophobicContact CD1-CG1 4.35Å; F239-I257 HydrophobicContact CE1-CG1 4.2Å; I257-P259 WeakPolarHBondContact O-CD 3.36Å; I257-E262 HydrophobicContact CG2-CB 4.06Å; I257-E262 HydrophobicContact CG2-CG 4.23Å; I257-L265 HydrophobicContact CG1-CD2 4.48Å; I257-L265 HydrophobicContact CG2-CB 4.49Å; I257-L265 HydrophobicContact CG2-CD2 3.6Å |
| 258 | D | 96.3 | Very high | 90.1 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | trans | -60.1 | 118.8 | 169.5 | 166.7 | 20.3 | 0 | 0 | 0 | 110 | Y238 I240 A260 S261 E262 | Y238-D258 PolarHBondContact O-N 3.04Å; I240-D258 HydrophobicContact CG2-CB 4.21Å; D258-A260 PolarHBondContact O-N 3.17Å; D258-A260 VanDerWaalsContact O-N 3.12Å; D258-A260 PolarHBondContact OD1-N 2.67Å; D258-A260 VanDerWaalsContact OD1-N 3.09Å; D258-S261 WeakPolarHBondContact O-CA 3.32Å; D258-S261 PolarHBondContact O-N 3.13Å; D258-S261 PolarHBondContact O-OG 3.46Å; D258-E262 PolarHBondContact O-N 2.88Å; D258-E262 VanDerWaalsContact O-N 3.08Å | ||
| 259 | P | 94.1 | Very high | 90.8 | Very high | 90 Ų | 90 | 68 Ų | 68 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -52.2 | -33.9 | -179.2 | -28.6 | 36.4 | 0 | 0 | 0 | 114.4 | I257 S261 E262 | I257-P259 WeakPolarHBondContact O-CD 3.36Å; P259-S261 PolarHBondContact O-N 3.02Å; P259-S261 VanDerWaalsContact O-N 3.17Å; P259-E262 PolarHBondContact O-N 2.77Å |
| 260 | A | 94 | Very high | 91.6 | Very high | 88 Ų | 88 | 67 Ų | 67 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.2 | -17.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D258 | D258-A260 PolarHBondContact O-N 3.17Å; D258-A260 VanDerWaalsContact O-N 3.12Å; D258-A260 PolarHBondContact OD1-N 2.67Å; D258-A260 VanDerWaalsContact OD1-N 3.09Å |
| 261 | S | 91.7 | Very high | 91.9 | Very high | 21 Ų | 21 | 73.1 Ų | 73.1 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -109.7 | -15 | 179 | 75.8 | 0 | 0 | 0 | 0 | 114 | Y238 D258 P259 G263 K264 L265 | Y238-S261 WeakPolarHBondContact CB-OG 3.27Å; D258-S261 WeakPolarHBondContact O-CA 3.32Å; D258-S261 PolarHBondContact O-N 3.13Å; D258-S261 PolarHBondContact O-OG 3.46Å; P259-S261 PolarHBondContact O-N 3.02Å; P259-S261 VanDerWaalsContact O-N 3.17Å; S261-G263 PolarHBondContact O-N 3.2Å; S261-K264 PolarHBondContact O-N 2.96Å; S261-L265 PolarHBondContact O-N 3.26Å |
| 262 | E | 93.3 | Very high | 91.8 | Very high | 35 Ų | 35 | 70.5 Ų | 70.5 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.7 | -53.8 | -163.5 | -170.8 | -173.5 | -170.2 | 0 | 0 | 113.2 | K200 I257 D258 P259 K264 L265 I266 | K200-E262 WeakPolarHBondContact CD-OE1 3.11Å; K200-E262 VanDerWaalsContact CE-OE1 3.25Å; K200-E262 WeakPolarHBondContact CE-OE1 3.23Å; K200-E262 IonicContact NZ-OE1 2.86Å; K200-E262 PolarHBondContact NZ-OE1 2.88Å; K200-E262 IonicContact NZ-OE2 2.66Å; K200-E262 PolarHBondContact NZ-OE2 2.91Å; I257-E262 HydrophobicContact CG2-CB 4.06Å; I257-E262 HydrophobicContact CG2-CG 4.23Å; D258-E262 PolarHBondContact O-N 2.88Å; D258-E262 VanDerWaalsContact O-N 3.08Å; P259-E262 PolarHBondContact O-N 2.77Å; E262-K264 PolarHBondContact O-N 2.86Å; E262-L265 WeakPolarHBondContact O-CA 3.43Å; E262-L265 WeakPolarHBondContact O-CB 3.3Å; E262-L265 PolarHBondContact O-N 2.79Å; E262-I266 HydrophobicContact CG-CD1 3.74Å; E262-I266 HydrophobicContact CG-CG1 4.32Å; E262-I266 WeakPolarHBondContact O-CG1 3.26Å; E262-I266 PolarHBondContact O-N 2.97Å |
| 263 | G | 92.4 | Very high | 91 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S261 L265 I266 E267 | S261-G263 PolarHBondContact O-N 3.2Å; G263-L265 VanDerWaalsContact C-N 3.27Å; G263-L265 PolarHBondContact O-N 2.92Å; G263-I266 PolarHBondContact O-N 3.02Å; G263-E267 PolarHBondContact O-N 3.23Å; G263-E267 VanDerWaalsContact O-N 3.11Å |
| 264 | K | 92.1 | Very high | 89.7 | Confident | 150 Ų | 150 | 84 Ų | 84 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.1 | -32 | 176.9 | -65.7 | 175.7 | -178.1 | 170.4 | 0 | 111.8 | S261 E262 Q268 | S261-K264 PolarHBondContact O-N 2.96Å; E262-K264 PolarHBondContact O-N 2.86Å; K264-Q268 VanDerWaalsContact O-CG 3.29Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 3.01Å |
| 265 | L | 91.8 | Very high | 88 | Confident | 22 Ų | 22 | 87.3 Ų | 87.3 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73.1 | -46 | 176 | -107 | 64.4 | 0 | 0 | 0 | 112.3 | V191 Y238 I257 S261 E262 G263 E267 Q268 A269 | V191-L265 HydrophobicContact CG1-CB 4.21Å; V191-L265 HydrophobicContact CG2-CB 4.22Å; V191-L265 HydrophobicContact CG2-CD2 3.68Å; V191-L265 HydrophobicContact CG2-CG 3.97Å; Y238-L265 HydrophobicContact CD1-CD1 4.35Å; Y238-L265 HydrophobicContact CD2-CD2 3.39Å; Y238-L265 HydrophobicContact CD2-CG 4.46Å; Y238-L265 HydrophobicContact CE2-CD2 3.75Å; Y238-L265 HydrophobicContact CG-CD1 4.34Å; Y238-L265 HydrophobicContact CG-CD2 3.79Å; I257-L265 HydrophobicContact CG1-CD2 4.48Å; I257-L265 HydrophobicContact CG2-CB 4.49Å; I257-L265 HydrophobicContact CG2-CD2 3.6Å; S261-L265 PolarHBondContact O-N 3.26Å; E262-L265 WeakPolarHBondContact O-CA 3.43Å; E262-L265 WeakPolarHBondContact O-CB 3.3Å; E262-L265 PolarHBondContact O-N 2.79Å; G263-L265 VanDerWaalsContact C-N 3.27Å; G263-L265 PolarHBondContact O-N 2.92Å; L265-E267 VanDerWaalsContact C-N 3.35Å; L265-E267 PolarHBondContact O-N 3.38Å; L265-Q268 CarbonylContact O-C 3.53Å; L265-Q268 PolarHBondContact O-N 3.02Å; L265-A269 WeakPolarHBondContact O-CB 3.23Å; L265-A269 PolarHBondContact O-N 3.27Å |
| 266 | I | 92.5 | Very high | 86.2 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.1 | -50.4 | 176.5 | -72.1 | 168.1 | 0 | 0 | 0 | 110.2 | T195 E262 G263 Q268 A269 F270 | T195-I266 HydrophobicContact CG2-CD1 4.08Å; T195-I266 HydrophobicContact CG2-CG1 3.55Å; E262-I266 HydrophobicContact CG-CD1 3.74Å; E262-I266 HydrophobicContact CG-CG1 4.32Å; E262-I266 WeakPolarHBondContact O-CG1 3.26Å; E262-I266 PolarHBondContact O-N 2.97Å; G263-I266 PolarHBondContact O-N 3.02Å; I266-Q268 PolarHBondContact O-N 3.2Å; I266-A269 VanDerWaalsContact O-CB 3.3Å; I266-A269 WeakPolarHBondContact O-CB 3.32Å; I266-A269 PolarHBondContact O-N 2.96Å; I266-F270 HydrophobicContact CG2-CE2 4.46Å; I266-F270 WeakPolarHBondContact O-CD2 3.36Å |
| 267 | E | 90.7 | Very high | 83.8 | Confident | 106 Ų | 106 | 96 Ų | 96 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -31 | -179 | -160.3 | -129.6 | 120.3 | 0 | 0 | 112.4 | G263 L265 R271 | G263-E267 PolarHBondContact O-N 3.23Å; G263-E267 VanDerWaalsContact O-N 3.11Å; L265-E267 VanDerWaalsContact C-N 3.35Å; L265-E267 PolarHBondContact O-N 3.38Å; E267-R271 WeakPolarHBondContact O-CD 3.45Å; E267-R271 WeakPolarHBondContact O-CG 3.47Å; E267-R271 PolarHBondContact O-NE 2.89Å; E267-R271 IonicContact OE1-CZ 3.2Å; E267-R271 IonicContact OE1-NE 3.17Å; E267-R271 PolarHBondContact OE1-NE 2.96Å; E267-R271 IonicContact OE1-NH2 2.67Å; E267-R271 PolarHBondContact OE1-NH2 3.47Å |
| 268 | Q | 89.6 | Confident | 81.2 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -86.3 | -18 | 174.5 | -67.9 | -179.4 | 24.6 | 0 | 0 | 113.9 | Q188 K264 L265 I266 F270 | Q188-Q268 PolarHBondContact NE2-O 3.03Å; K264-Q268 VanDerWaalsContact O-CG 3.29Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 3.01Å; L265-Q268 CarbonylContact O-C 3.53Å; L265-Q268 PolarHBondContact O-N 3.02Å; I266-Q268 PolarHBondContact O-N 3.2Å; Q268-F270 PolarHBondContact O-N 3.45Å |
| 269 | A | 88.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 102.9 Ų | 102.9 | 1% | 0.008 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V191 Q192 L265 I266 | V191-A269 HydrophobicContact CB-CB 3.99Å; V191-A269 HydrophobicContact CG1-CB 3.55Å; Q192-A269 HydrophobicContact CG-CB 4.12Å; Q192-A269 PolarHBondContact NE2-O 2.8Å; L265-A269 WeakPolarHBondContact O-CB 3.23Å; L265-A269 PolarHBondContact O-N 3.27Å; I266-A269 VanDerWaalsContact O-CB 3.3Å; I266-A269 WeakPolarHBondContact O-CB 3.32Å; I266-A269 PolarHBondContact O-N 2.96Å |
| 270 | F | 87.3 | Confident | 76.5 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 48% | 0.478 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -91.9 | -11.3 | -176.7 | -59.4 | -79.9 | 0 | 0 | 0 | 113.4 | Q192 I266 Q268 K272 | Q192-F270 HydrophobicContact CG-CD1 4.38Å; Q192-F270 HydrophobicContact CG-CE1 3.96Å; Q192-F270 HydrophobicContact CG-CZ 4.22Å; I266-F270 HydrophobicContact CG2-CE2 4.46Å; I266-F270 WeakPolarHBondContact O-CD2 3.36Å; Q268-F270 PolarHBondContact O-N 3.45Å; F270-K272 PolarHBondContact O-N 3.38Å |
| 271 | R | 86.4 | Confident | 74.2 | Confident | 160 Ų | 160 | 109 Ų | 109 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -69.1 | 97.2 | 174.6 | -72.1 | 177.8 | -177.9 | -83.6 | 10.2 | 110.5 | Q188 E267 R273 | Q188-R271 PolarHBondContact NE2-O 3.29Å; E267-R271 WeakPolarHBondContact O-CD 3.45Å; E267-R271 WeakPolarHBondContact O-CG 3.47Å; E267-R271 PolarHBondContact O-NE 2.89Å; E267-R271 IonicContact OE1-CZ 3.2Å; E267-R271 IonicContact OE1-NE 3.17Å; E267-R271 PolarHBondContact OE1-NE 2.96Å; E267-R271 IonicContact OE1-NH2 2.67Å; E267-R271 PolarHBondContact OE1-NH2 3.47Å; R271-R273 PolarHBondContact O-N 3.15Å |
| 272 | K | 79.8 | Confident | 71.9 | Confident | 152 Ų | 152 | 119 Ų | 119 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 125.8 | 172.8 | -67.1 | -179.3 | 179.6 | 179.7 | 0 | 110.1 | P183 Y184 F270 | P183-K272 HydrophobicContact CG-CB 4.17Å; P183-K272 HydrophobicContact CG-CD 4.3Å; P183-K272 HydrophobicContact CG-CG 4.06Å; Y184-K272 HydrophobicContact CE1-CB 4.33Å; Y184-K272 HydrophobicContact CE1-CG 3.76Å; Y184-K272 WeakPolarHBondContact OH-CG 3.46Å; F270-K272 PolarHBondContact O-N 3.38Å |
| 273 | R | 72.6 | Confident | 69.4 | Low | 138 Ų | 138 | 121.9 Ų | 121.9 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -77 | 135.8 | 179.8 | -52.2 | -166.4 | 98.7 | 178.1 | 9.8 | 109.8 | P183 Q188 R271 | P183-R273 WeakPolarHBondContact O-CB 3.37Å; P183-R273 WeakPolarHBondContact O-CG 3.21Å; P183-R273 PolarHBondContact O-N 3.42Å; Q188-R273 VanDerWaalsContact OE1-CD 3.25Å; R271-R273 PolarHBondContact O-N 3.15Å |
| 274 | R | 66.4 | Low | 67.1 | Low | 229 Ų | 229 | 125.7 Ų | 125.7 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 138.3 | 166.5 | -69.5 | -177.3 | -180 | 164.3 | 1.1 | 109.5 | R276 | R274-R276 PolarHBondContact O-N 3.41Å; R274-R276 VanDerWaalsContact O-N 3.15Å |
| 275 | P | 59.3 | Low | 65.1 | Low | 106 Ų | 106 | 124.3 Ų | 124.3 | 69% | 0.688 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -60 | 119.7 | -178.1 | 23.3 | -33.2 | 0 | 0 | 0 | 110.7 | G277 | P275-G277 PolarHBondContact O-N 2.83Š|
| 276 | R | 58.5 | Low | 62.6 | Low | 250 Ų | 250 | 126.6 Ų | 126.6 | 94% | 0.943 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 64.7 | 174.6 | -79.6 | -80.3 | -172.9 | 145 | -2.2 | 109.8 | R274 | R274-R276 PolarHBondContact O-N 3.41Å; R274-R276 VanDerWaalsContact O-N 3.15Å |
| 277 | G | 46.7 | Very low | 60.7 | Low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.4 | -26.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P275 P279 | P275-G277 PolarHBondContact O-N 2.83Å; G277-P279 WeakPolarHBondContact O-CD 3.49Å |
| 278 | V | 41.7 | Very low | 58.7 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | trans | -90.3 | 120.1 | 172.3 | -74.1 | 0 | 0 | 0 | 0 | 111 | C280 | V278-C280 PolarHBondContact O-N 2.97Š| ||
| 279 | P | 44.6 | Very low | 56.4 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 121.5 | 159.5 | -13.5 | 29.2 | 0 | 0 | 0 | 107.9 | G277 F281 | G277-P279 WeakPolarHBondContact O-CD 3.49Å; P279-F281 HydrophobicContact CB-CD2 4.17Å; P279-F281 HydrophobicContact CB-CE2 4.44Å; P279-F281 PolarHBondContact O-N 2.81Å | ||
| 280 | C | 47.1 | Very low | 54.1 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | -74.4 | 75.8 | 172.6 | -66 | 0 | 0 | 0 | 0 | 110.3 | V278 R282 | V278-C280 PolarHBondContact O-N 2.97Å; C280-R282 PolarHBondContact O-N 2.77Å | ||
| 281 | F | 45.2 | Very low | 51.9 | Low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | trans | -68.1 | 66.5 | 155.1 | -83.4 | -79 | 0 | 0 | 0 | 109.2 | P279 | P279-F281 HydrophobicContact CB-CD2 4.17Å; P279-F281 HydrophobicContact CB-CE2 4.44Å; P279-F281 PolarHBondContact O-N 2.81Å | ||
| 282 | R | 42.4 | Very low | 49.7 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -92.8 | 92.2 | 156.5 | -76.7 | -159.4 | -178.9 | -83.4 | 4.3 | 107 | C280 | C280-R282 PolarHBondContact O-N 2.77Š| ||
| 283 | T | 41.2 | Very low | 47.9 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 59% | 0.589 | 77% | 0.774 | S | S | * | * | trans | -54 | 131.3 | 168.4 | -40.4 | 0 | 0 | 0 | 0 | 108.8 | V285 | T283-V285 HydrophobicContact CG2-CG2 3.81Å; T283-V285 PolarHBondContact O-N 3.31Å | ||
| 284 | P | 45.2 | Very low | 46.6 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -79.5 | 65.6 | 178.7 | 33.3 | -35.6 | 0 | 0 | 0 | 110.9 | ||
| 285 | V | 49.6 | Very low | 45.4 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -133.5 | 113.8 | 170.9 | -71 | 0 | 0 | 0 | 0 | 109.3 | T283 | T283-V285 HydrophobicContact CG2-CG2 3.81Å; T283-V285 PolarHBondContact O-N 3.31Å | ||
| 286 | G | 39 | Very low | 44.2 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 163.4 | 113.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 287 | P | 52 | Low | 44 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -81.6 | 172.3 | -171.3 | 34.2 | -36.6 | 0 | 0 | 0 | 112.7 | ||||
| 288 | L | 50 | Low | 43.5 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | 68.1 | 89.4 | 171.6 | -47 | -178.9 | 0 | 0 | 0 | 116.1 | ||||
| 289 | S | 40.1 | Very low | 43.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | -179.7 | 129.8 | 105 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 290 | S | 41.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -87 | 124.3 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 291 | R | 40.8 | Very low | 42.3 | Very low | 252 Ų | 252 | 133.5 Ų | 133.5 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | -153.9 | 129.3 | 146.2 | -113 | 166.4 | -167.8 | -99.8 | 3.2 | 110.9 | ||||
| 292 | S | 40 | Very low | 41.7 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 150.2 | -163.5 | -45.6 | 0 | 0 | 0 | 0 | 113 | ||
| 293 | A | 40.9 | Very low | 41.4 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 142 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 294 | P | 46.6 | Very low | 41.2 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 140.5 | -174.4 | 30.8 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 295 | A | 41.3 | Very low | 40.9 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -105.5 | 132.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 296 | S | 34 | Very low | 40.2 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 157.9 | 174.6 | -92 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 297 | P | 54.9 | Low | 40.1 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -105.5 | -174.7 | -148.8 | 41.3 | -38.4 | 0 | 0 | 0 | 115.1 | ||||
| 298 | N | 35.5 | Very low | 39.4 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 82.4 | 134.8 | 170.8 | -50.8 | -23.5 | 0 | 0 | 0 | 114.4 | ||||
| 299 | H | 37.3 | Very low | 38.6 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | cis | -143.4 | 168.8 | 7.4 | -164.7 | -97 | 0 | 0 | 0 | 112.2 | ||||
| 300 | M | 36 | Very low | 38.4 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -61.1 | 158.5 | 171.3 | -48.7 | 102.8 | 70.7 | 0 | 0 | 111.7 | ||||
| 301 | G | 33.6 | Very low | 38.1 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | 145.5 | -179.3 | 2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 302 | V | 33.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 76.4 | 99.6 | 165.1 | -170.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 303 | L | 36.2 | Very low | 38.2 | Very low | 157 Ų | 157 | 120.6 Ų | 120.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 70.2 | 136.8 | 139.1 | -59.5 | 175.9 | 0 | 0 | 0 | 125.1 | ||||
| 304 | S | 35.7 | Very low | 37.9 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 59.4 | 99 | 137.8 | -60 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 305 | A | 40.1 | Very low | 37.3 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | 57.3 | 152.3 | 109.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 306 | H | 33.6 | Very low | 37.1 | Very low | 182 Ų | 182 | 123.3 Ų | 123.3 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 88.8 | 112.9 | 163.5 | -54.2 | -76.7 | 0 | 0 | 0 | 120.8 | ||||
| 307 | S | 37.1 | Very low | 37.2 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | 46.7 | 109.4 | 128 | -167.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 308 | S | 37.8 | Very low | 36.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 38.5 | 113.6 | 130.4 | -53 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 309 | G | 32.6 | Very low | 36.4 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 106.4 | 159.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 310 | V | 36.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | cis | -165.4 | 144.2 | -5.3 | 116.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 311 | Q | 34.6 | Very low | 36.1 | Very low | 171 Ų | 171 | 127 Ų | 127 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | 64.2 | 155.8 | 169.2 | -72.9 | 175.5 | 86.5 | 0 | 0 | 117.1 | ||||
| 312 | T | 33.4 | Very low | 37 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | cis | -172.7 | 174.3 | -5.3 | 25.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 313 | P | 50.7 | Low | 37.1 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | -133.6 | -174.8 | -38.8 | 39.6 | -22.4 | 0 | 0 | 0 | 113.7 | ||||
| 314 | D | 33.6 | Very low | 37.5 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 67.1 | 147.6 | 156.2 | -88.4 | -76 | 0 | 0 | 0 | 121 | ||||
| 315 | S | 35 | Very low | 37.4 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | cis | -151.7 | 167 | 3.3 | -148.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 316 | L | 36.2 | Very low | 37.2 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 57.6 | 105.9 | 160.9 | -55.4 | -173.1 | 0 | 0 | 0 | 121.3 | ||||
| 317 | S | 36.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 146.5 | 79.6 | 110.4 | -64.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 318 | R | 38.7 | Very low | 36.6 | Very low | 244 Ų | 244 | 135.1 Ų | 135.1 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -163 | 123.5 | 154.2 | -147.7 | 174.1 | -178.2 | -179.5 | -0.2 | 114.7 | ||||
| 319 | E | 34.3 | Very low | 36.5 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -128.5 | 160.5 | 159.5 | -62.5 | -171.4 | 98.8 | 0 | 0 | 107.8 | ||||
| 320 | G | 33.5 | Very low | 37.4 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -164.6 | 173.4 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 321 | S | 33.7 | Very low | 38.5 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -148 | 174 | 179.2 | -150.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 322 | P | 52 | Low | 38.4 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -136 | -158.5 | 0.7 | 38 | -14.9 | 0 | 0 | 0 | 114.1 | ||||
| 323 | V | 36.9 | Very low | 38.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -68.3 | 168.4 | 162.2 | -131.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 324 | P | 44.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -150.1 | 174.1 | 25.7 | 44.8 | -23.7 | 0 | 0 | 0 | 121.1 | ||||
| 325 | M | 34.3 | Very low | 38.4 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | trans | 67.2 | 139.9 | 144.2 | -95.1 | 177 | 133.9 | 0 | 0 | 125.7 | ||||
| 326 | E | 34 | Very low | 38.3 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 58.4 | 128.5 | 152.4 | -60.1 | -167.5 | 149.3 | 0 | 0 | 123.9 | ||||
| 327 | A | 32.6 | Very low | 38 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | trans | -164.8 | 164 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 328 | E | 26.3 | Very low | 37.8 | Very low | 198 Ų | 198 | 133.7 Ų | 133.7 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -102.3 | 178.9 | -168.7 | -153.7 | 167.7 | 108.5 | 0 | 0 | 114.6 | ||||
| 329 | A | 36.8 | Very low | 37.4 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -79.4 | -178.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 330 | P | 50.6 | Low | 37.3 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | cis | -145.7 | -144.8 | 37.3 | 38.2 | -11.9 | 0 | 0 | 0 | 113.7 | ||||
| 331 | P | 59.8 | Low | 37.2 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -123.1 | 162 | -63.8 | 30.2 | -13.6 | 0 | 0 | 0 | 114.6 | |||||
| 332 | A | 32.8 | Very low | 37.3 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | 167.1 | 156.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 333 | A | 38.2 | Very low | 36.1 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -137.4 | -170.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 334 | P | 48.8 | Very low | 35.7 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -138.1 | 168.1 | -4 | 40.9 | -24.2 | 0 | 0 | 0 | 116.5 | ||||
| 335 | T | 30.4 | Very low | 35.1 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | trans | -156.5 | 173.9 | 141.9 | -11.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 336 | Q | 33.6 | Very low | 34.9 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -123.7 | 149.2 | -152.6 | -55 | 178.2 | 14.6 | 0 | 0 | 115.9 | ||||
| 337 | T | 29.7 | Very low | 34.9 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 68.9 | 153 | 144.4 | 47.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 338 | A | 32.5 | Very low | 34.9 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 82.7 | 71.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 339 | A | 30.8 | Very low | 35.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | 34.7 | 160.7 | 116.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 340 | V | 31.1 | Very low | 34.9 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 106.9 | 92.3 | 154.4 | -169.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 341 | Q | 31.9 | Very low | 33.8 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 71.1 | 146.1 | 143 | -60 | -69 | -2.9 | 0 | 0 | 122.1 | ||||
| 342 | P | 36.1 | Very low | 32.4 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | trans | -109.2 | 166.7 | -174.4 | 41.7 | -34.8 | 0 | 0 | 0 | 115.1 | ||||
| 343 | K | 26.9 | Very low | 32.4 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -151.3 | 122.6 | 161.6 | -164.5 | 163.3 | -175.4 | 171.3 | 0 | 114.4 | ||||
| 344 | L | 28.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | trans | 40 | 113.4 | 155.7 | -63.1 | 169.2 | 0 | 0 | 0 | 119.6 | ||||
| 345 | A | 30.9 | Very low | 31.4 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 138.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 346 | V | 30.7 | Very low | 31.5 | Very low | 140 Ų | 140 | 148 Ų | 148 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 135 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 347 | I | 34.2 | Very low | 31.7 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 123.1 | 172.6 | -62.3 | 175.2 | 0 | 0 | 0 | 109 | ||
| 348 | Q | 31.6 | Very low | 31.8 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 135.5 | 176.8 | -168.2 | 168.8 | 4.9 | 0 | 0 | 110.7 | ||
| 349 | E | 32.7 | Very low | 31.8 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 150.8 | -173.5 | -166.5 | 168.3 | -156.1 | 0 | 0 | 113 | ||
| 350 | A | 30.4 | Very low | 32.1 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73 | 149.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 351 | R | 28.6 | Very low | 32.2 | Very low | 236 Ų | 236 | 148.4 Ų | 148.4 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -106.6 | 147.1 | 166.8 | -76.9 | -174.1 | 168.2 | 122.8 | -4 | 110.8 | ||||
| 352 | F | 28.8 | Very low | 32.5 | Very low | 208 Ų | 208 | 147 Ų | 147 | 91% | 0.912 | 83% | 0.829 | S | S | * | * | trans | -138.8 | 136.6 | 161.4 | -122.2 | -88.9 | 0 | 0 | 0 | 111.1 | ||||
| 353 | A | 33.8 | Very low | 32.3 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 66% | 0.661 | 83% | 0.83 | S | S | * | * | trans | 8.2 | 125.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 354 | Q | 33.2 | Very low | 32.7 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | -151.7 | 154.8 | 117.4 | -126.6 | -179.4 | -16.8 | 0 | 0 | 112 | |||||
| 355 | N | 32.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | -110 | 127.9 | -169.7 | -57.8 | 51.2 | 0 | 0 | 0 | 111.9 | ||||
| 356 | S | 32.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -175.7 | 145.2 | 144.1 | -80.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 357 | P | 37.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -102.1 | 136.2 | -179.5 | 15.3 | 4.8 | 0 | 0 | 0 | 113.3 | ||||
| 358 | G | 31.3 | Very low | 34 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 165.6 | 119.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 359 | S | 33.9 | Very low | 34.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 135.8 | -166.2 | -53.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 360 | P | 36.8 | Very low | 34.2 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 162.2 | 168.9 | 36.1 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 361 | L | 33.5 | Very low | 34.2 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 166.8 | 177.5 | -66.6 | 169 | 0 | 0 | 0 | 113 | ||
| 362 | N | 36.8 | Very low | 34.3 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -32.5 | 133.1 | 168.5 | 179.9 | 20 | 0 | 0 | 0 | 115.2 | ||||
| 363 | S | 33.2 | Very low | 34.6 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -143.7 | 130.7 | 167.5 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 364 | Q | 34 | Very low | 34.5 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 149.6 | 174.2 | -74.1 | -81.5 | -3 | 0 | 0 | 110.8 | V366 | Q364-V366 PolarHBondContact O-N 3.28Š|
| 365 | P | 39 | Very low | 34.6 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76 | 116.9 | 176.4 | 30.5 | -33 | 0 | 0 | 0 | 111.9 | ||
| 366 | V | 38.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 121.9 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | Q364 I368 | Q364-V366 PolarHBondContact O-N 3.28Å; V366-I368 HydrophobicContact CG1-CG1 4.41Å |
| 367 | L | 34.4 | Very low | 34.5 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -81 | 115.7 | 175.5 | -70.4 | 169.8 | 0 | 0 | 0 | 110.9 | ||||
| 368 | I | 40.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -104.8 | 103.5 | 172.5 | -57.3 | 179.2 | 0 | 0 | 0 | 109.3 | V366 V370 | V366-I368 HydrophobicContact CG1-CG1 4.41Å; I368-V370 HydrophobicContact CG2-CG2 4.14Å; I368-V370 PolarHBondContact O-N 2.78Å | ||
| 369 | A | 34.5 | Very low | 34.3 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -81.9 | 102.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | Q371 | A369-Q371 PolarHBondContact O-N 3.39Š| ||
| 370 | V | 34.4 | Very low | 34.2 | Very low | 122 Ų | 122 | 150 Ų | 150 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | trans | -86.3 | 97.6 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | I368 R372 | I368-V370 HydrophobicContact CG2-CG2 4.14Å; I368-V370 PolarHBondContact O-N 2.78Å; V370-R372 PolarHBondContact O-N 2.84Å | ||
| 371 | Q | 30.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 108 | 173.6 | -168.8 | 178.4 | 50.9 | 0 | 0 | 110.4 | A369 Q373 | A369-Q371 PolarHBondContact O-N 3.39Å; Q371-Q373 PolarHBondContact O-N 2.66Å | ||
| 372 | R | 31 | Very low | 34.5 | Very low | 235 Ų | 235 | 146.9 Ų | 146.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -77 | 111.7 | 173.8 | -100.9 | -178.2 | 167.2 | 138.5 | -2.4 | 110.7 | V370 | V370-R372 PolarHBondContact O-N 2.84Š| ||
| 373 | Q | 33.3 | Very low | 34.5 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.7 | 164.2 | -74.3 | -176.9 | -19.2 | 0 | 0 | 110.8 | Q371 | Q371-Q373 PolarHBondContact O-N 2.66Š|
| 374 | M | 33 | Very low | 34.4 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 135.8 | -178.7 | -179.8 | 171.5 | 167.8 | 0 | 0 | 109.5 | Q376 | M374-Q376 PolarHBondContact O-N 3.45Š|
| 375 | P | 35.5 | Very low | 34.6 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.6 | -178.8 | 27.7 | -34.1 | 0 | 0 | 0 | 110.9 | T377 | P375-T377 PolarHBondContact O-N 3.43Š|
| 376 | Q | 30.3 | Very low | 34.2 | Very low | 186 Ų | 186 | 152 Ų | 152 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 124.9 | 172.3 | -70.7 | -171.7 | -13.4 | 0 | 0 | 110.5 | M374 | M374-Q376 PolarHBondContact O-N 3.45Š|
| 377 | T | 32.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 151 Ų | 151 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | trans | -93.3 | 101.7 | 171.8 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | P375 M379 | P375-T377 PolarHBondContact O-N 3.43Å; T377-M379 PolarHBondContact O-N 2.83Å | ||
| 378 | T | 31.3 | Very low | 33.8 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | -63 | 104.6 | 177.5 | -47.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 379 | M | 32.2 | Very low | 33.8 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 140.2 | 174.1 | -64.8 | -92.1 | 72.4 | 0 | 0 | 110.2 | T377 | T377-M379 PolarHBondContact O-N 2.83Š|
| 380 | K | 33.2 | Very low | 33.6 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 137.8 | 168.3 | -68.1 | -176.9 | 176.9 | -175.4 | 0 | 109 | ||
| 381 | P | 34.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 143.4 | 173.3 | 29.1 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 382 | V | 40.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 149 Ų | 149 | 60% | 0.6 | 82% | 0.822 | S | S | * | * | trans | -113.8 | 116.7 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | Y384 | V382-Y384 HydrophobicContact CB-CE2 3.99Å; V382-Y384 HydrophobicContact CG1-CD2 4.15Å; V382-Y384 HydrophobicContact CG1-CE1 4.35Å; V382-Y384 HydrophobicContact CG1-CE2 3.6Å | ||
| 383 | T | 37 | Very low | 33.5 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 120.6 | 176.1 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 384 | Y | 32 | Very low | 33.6 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 128.6 | 171.5 | -68.3 | -87.2 | 0 | 0 | 0 | 109.8 | V382 | V382-Y384 HydrophobicContact CB-CE2 3.99Å; V382-Y384 HydrophobicContact CG1-CD2 4.15Å; V382-Y384 HydrophobicContact CG1-CE1 4.35Å; V382-Y384 HydrophobicContact CG1-CE2 3.6Å |
| 385 | A | 37.6 | Very low | 34 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 130.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 386 | M | 30.6 | Very low | 33.7 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 96% | 0.956 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 142.9 | 174.5 | 59.2 | -176.2 | 177.9 | 0 | 0 | 110.5 | ||
| 387 | A | 32.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -133.9 | 127.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 388 | T | 32.3 | Very low | 33.8 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -105.5 | 154.2 | 172.8 | 36.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 389 | P | 40.8 | Very low | 34 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -90.8 | 158.3 | -161.7 | 35.5 | -37 | 0 | 0 | 0 | 114.6 | ||||
| 390 | A | 29.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -140.1 | 156.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 391 | M | 29.7 | Very low | 33.9 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -89.4 | 149.8 | -171.6 | -79.7 | 171 | 54.2 | 0 | 0 | 114.6 | ||||
| 392 | V | 33 | Very low | 33.6 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 82% | 0.817 | S | S | * | * | trans | 17.6 | 118.4 | 139.2 | -172 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 393 | T | 30.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | -177.3 | 149.1 | 120.8 | -74 | 0 | 0 | 0 | 0 | 110 | |||||
| 394 | T | 37 | Very low | 32.8 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -119.3 | 167.9 | 170.8 | 58.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 395 | P | 41.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | cis | -135.5 | -161.2 | 8 | 28.5 | -2.2 | 0 | 0 | 0 | 114.3 | ||||
| 396 | V | 28.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | 87.3 | 111.5 | 158.3 | -171.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 397 | S | 32.7 | Very low | 32.4 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 27 | 108.9 | 141.5 | -161.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 398 | S | 32.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -176.5 | 159.8 | 115.8 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 399 | A | 34.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -104.1 | 144.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 400 | P | 34.7 | Very low | 31.5 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -126.8 | 156.9 | 147.1 | 36.2 | -26.3 | 0 | 0 | 0 | 113.7 | ||||
| 401 | V | 28.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -68.1 | 141.6 | -179.4 | 176 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 402 | M | 27.7 | Very low | 31.6 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -135.3 | 148.6 | 150.3 | -65.6 | -155.7 | 85.9 | 0 | 0 | 110.6 | ||||
| 403 | Q | 30.5 | Very low | 31.4 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -82.9 | 135.5 | -176.5 | -64.1 | 162 | -75 | 0 | 0 | 111.6 | ||||
| 404 | T | 30.9 | Very low | 31.5 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -117.1 | 110.5 | 170.3 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | H406 | T404-H406 WeakPolarHBondContact CG2-NE2 3.45Å; T404-H406 PolarHBondContact O-CD2 3.36Å; T404-H406 PolarHBondContact O-N 2.84Å | ||
| 405 | V | 30.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -81.3 | 100.2 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V407 | V405-V407 HydrophobicContact CG1-CG2 4.12Å; V405-V407 PolarHBondContact O-N 2.85Å; V405-V407 VanDerWaalsContact O-N 3.14Å | ||
| 406 | H | 29.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -81.9 | 86.1 | 176.4 | -77.3 | -90.9 | 0 | 0 | 0 | 111.9 | T404 V408 | T404-H406 WeakPolarHBondContact CG2-NE2 3.45Å; T404-H406 PolarHBondContact O-CD2 3.36Å; T404-H406 PolarHBondContact O-N 2.84Å; H406-V408 VanDerWaalsContact C-N 3.29Å; H406-V408 HydrophobicContact CB-CG2 4.35Å; H406-V408 PolarHBondContact O-N 2.77Å | ||
| 407 | V | 31.1 | Very low | 30.5 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 85.8 | 164.5 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | V405 H409 | V405-V407 HydrophobicContact CG1-CG2 4.12Å; V405-V407 PolarHBondContact O-N 2.85Å; V405-V407 VanDerWaalsContact O-N 3.14Å; V407-H409 PolarHBondContact O-N 3.04Å; V407-H409 VanDerWaalsContact O-N 3.12Å | ||
| 408 | V | 30 | Very low | 30.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -76.1 | 97.1 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | H406 Q410 | H406-V408 VanDerWaalsContact C-N 3.29Å; H406-V408 HydrophobicContact CB-CG2 4.35Å; H406-V408 PolarHBondContact O-N 2.77Å; V408-Q410 HydrophobicContact CG1-CB 4.36Å; V408-Q410 PolarHBondContact O-N 3.42Å | ||
| 409 | H | 28.4 | Very low | 30.4 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 76.5 | 173.3 | -145.1 | 85.2 | 0 | 0 | 0 | 110 | V407 I411 | V407-H409 PolarHBondContact O-N 3.04Å; V407-H409 VanDerWaalsContact O-N 3.12Å; H409-I411 PolarHBondContact O-N 2.88Å | ||
| 410 | Q | 29.1 | Very low | 30.1 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 119.2 | -178.9 | -170.3 | -179.1 | 105 | 0 | 0 | 110.2 | V408 P412 | V408-Q410 HydrophobicContact CG1-CB 4.36Å; V408-Q410 PolarHBondContact O-N 3.42Å; Q410-P412 WeakPolarHBondContact O-CD 3.3Å |
| 411 | I | 29.9 | Very low | 29.8 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.5 | 172.2 | -58.7 | 173.6 | 0 | 0 | 0 | 107.7 | H409 | H409-I411 PolarHBondContact O-N 2.88Š|
| 412 | P | 32 | Very low | 29.9 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.8 | -176.2 | -23.2 | 34.8 | 0 | 0 | 0 | 112.9 | Q410 V414 | Q410-P412 WeakPolarHBondContact O-CD 3.3Å; P412-V414 PolarHBondContact O-N 3.46Å |
| 413 | A | 28.6 | Very low | 30.4 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 117.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T415 | A413-T415 PolarHBondContact O-N 3.08Š|
| 414 | V | 31.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -87.9 | 89.8 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | P412 M416 | P412-V414 PolarHBondContact O-N 3.46Å; V414-M416 PolarHBondContact O-N 2.8Å | ||
| 415 | T | 30.4 | Very low | 30.2 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -75 | 109.8 | 169.4 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | A413 | A413-T415 PolarHBondContact O-N 3.08Š| ||
| 416 | M | 28.7 | Very low | 30.1 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 116.6 | 167.6 | -75 | -164.6 | 163 | 0 | 0 | 109.9 | V414 | V414-M416 PolarHBondContact O-N 2.8Š|
| 417 | A | 29.3 | Very low | 29.9 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 136 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 418 | T | 31.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.7 | 172.3 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 419 | V | 29.6 | Very low | 30.2 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | trans | -95.8 | 115.3 | 164.8 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 420 | G | 28.2 | Very low | 30.2 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 125.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 421 | G | 28.6 | Very low | 30.7 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 138.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 422 | Q | 31.9 | Very low | 30.6 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 141.9 | 166.1 | -70.2 | 179.5 | -23.7 | 0 | 0 | 110 | ||
| 423 | P | 37.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81 | 152 | 166.1 | 34.1 | -33.1 | 0 | 0 | 0 | 111.2 | ||
| 424 | A | 28.4 | Very low | 30.4 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -117.1 | 150.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 425 | S | 28.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -142.1 | 147.2 | -178 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 426 | M | 27.8 | Very low | 30.3 | Very low | 191 Ų | 191 | 131 Ų | 131 | 94% | 0.941 | 82% | 0.816 | S | S | * | * | trans | -91 | 168.3 | -167.4 | -65.9 | 168.6 | 64.1 | 0 | 0 | 114.3 | ||||
| 427 | E | 27.2 | Very low | 30.4 | Very low | 184 Ų | 184 | 127 Ų | 127 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -73.9 | 153.3 | -179.1 | -56.7 | 156.1 | 98.3 | 0 | 0 | 114.2 | ||||
| 428 | S | 27 | Very low | 30.4 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -173.1 | 160.7 | 133.2 | -82.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 429 | P | 39.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -108 | 178.8 | -150.3 | 41 | -37.7 | 0 | 0 | 0 | 118.5 | ||||
| 430 | E | 28 | Very low | 30.6 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -31 | 162.8 | 161.6 | -86.3 | -173.9 | 113.1 | 0 | 0 | 118.3 | ||||
| 431 | P | 40 | Very low | 30.9 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | -155.7 | -170.4 | 50.3 | 45.7 | -24.5 | 0 | 0 | 0 | 119.9 | |||||
| 432 | Q | 27.6 | Very low | 31 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 72 | 154.7 | 158.8 | -75.8 | -173.5 | -76.3 | 0 | 0 | 118.6 | ||||
| 433 | E | 26.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 62% | 0.617 | 79% | 0.794 | S | S | * | * | cis | -169.1 | 157.3 | -23.6 | -166.3 | -174.9 | 109.5 | 0 | 0 | 108.8 | ||||
| 434 | N | 30.7 | Very low | 30.5 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 66.3 | 152.8 | 172.5 | -59.8 | -60.7 | 0 | 0 | 0 | 117.6 | ||||
| 435 | G | 29.4 | Very low | 30.4 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | cis | 162.9 | 126.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 436 | G | 29.4 | Very low | 30.3 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | 87.5 | 160.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 437 | G | 31.2 | Very low | 30.2 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | 111.9 | 73 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 438 | G | 30.2 | Very low | 30.2 | Very low | 84 Ų | 84 | 131 Ų | 131 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | -92.1 | 172.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 439 | G | 31.1 | Very low | 30.2 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 102.1 | 136.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 440 | D | 33.5 | Very low | 30 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | cis | -162.4 | 158.2 | -9.8 | -155.7 | -4.1 | 0 | 0 | 0 | 111.1 | ||||
| 441 | R | 33.9 | Very low | 30.2 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 73% | 0.725 | 76% | 0.758 | S | S | * | * | trans | 64.5 | 117.7 | 163.2 | -55 | -177.5 | 76.5 | 147.8 | 1.5 | 118.2 | ||||
| 442 | Q | 32.2 | Very low | 30 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | 99.6 | 126.9 | 82.7 | -165.8 | 159.2 | 29.2 | 0 | 0 | 110.2 | |||||
| 443 | E | 27.9 | Very low | 29.9 | Very low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | cis | -164.1 | -174.7 | 9.7 | -145.3 | 155.8 | -129.4 | 0 | 0 | 113.1 | ||||
| 444 | V | 30.4 | Very low | 30 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 60.3 | 96.5 | 168.8 | -163.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 445 | K | 25.8 | Very low | 29.8 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | 81.9 | 139.8 | 44.4 | -157.7 | -168.6 | 178 | 178.1 | 0 | 115.3 | ||||
| 446 | V | 27.3 | Very low | 30 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 83 | 143.2 | 168.4 | -167.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 447 | K | 24.9 | Very low | 30.1 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | cis | -173.9 | 150 | -43 | 179 | 176.2 | 171.1 | -171.9 | 0 | 105.9 | ||||
| 448 | V | 27.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | -86 | 154.7 | -176.7 | 173.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 449 | E | 26.9 | Very low | 30.4 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | trans | 72 | 156.4 | 165.6 | -90.7 | -113.3 | 104.9 | 0 | 0 | 118.5 | V451 | E449-V451 PolarHBondContact OE1-N 3.23Š| ||
| 450 | P | 35.9 | Very low | 30.4 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -131 | 176.1 | 9.4 | 41.7 | -25.2 | 0 | 0 | 0 | 118.6 | ||||
| 451 | V | 32.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | -58.8 | 136.4 | 168.3 | 169.6 | 0 | 0 | 0 | 0 | 113.1 | E449 | E449-V451 PolarHBondContact OE1-N 3.23Š| ||
| 452 | P | 35.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | -149.7 | -175.2 | 109 | 40 | -21.5 | 0 | 0 | 0 | 116.5 | |||||
| 453 | S | 24.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -100.4 | -167.2 | -161.3 | -46.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 454 | I | 28.9 | Very low | 31 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 82.4 | 144.4 | 154.8 | -11.8 | 176.3 | 0 | 0 | 0 | 120.3 | ||||
| 455 | T | 26.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 89.2 | 149 | 156.1 | 63.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 456 | A | 33.3 | Very low | 31.6 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -144 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 457 | S | 31.5 | Very low | 31.6 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 78.6 | 155 | -171.2 | -22.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 458 | S | 31.9 | Very low | 32.1 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | -161 | 156.3 | 7.7 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 459 | I | 35.8 | Very low | 32.5 | Very low | 172 Ų | 172 | 123.8 Ų | 123.8 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 146.7 | 143.5 | -66.7 | 161.1 | 0 | 0 | 0 | 117.1 | ||||
| 460 | G | 31.8 | Very low | 32.9 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | -173.7 | -173.7 | -2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 461 | G | 34.6 | Very low | 32.5 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | 171 | -171 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 462 | V | 32.6 | Very low | 32.3 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | 74.4 | 149.2 | -173.7 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 463 | G | 33.4 | Very low | 32.5 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | 141.2 | 150.6 | -1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 464 | R | 37.8 | Very low | 32.6 | Very low | 228 Ų | 228 | 125.6 Ų | 125.6 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | cis | -137.6 | 147.3 | 14.6 | -81.4 | 178.1 | 173.1 | 157.2 | -2.2 | 109.1 | ||||
| 465 | I | 35 | Very low | 32.5 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | 62.5 | 128.9 | 75.6 | -51.2 | 169.3 | 0 | 0 | 0 | 111.9 | |||||
| 466 | I | 33.7 | Very low | 32.5 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -122.5 | -174.8 | 26.3 | -6.8 | 167.4 | 0 | 0 | 0 | 110.7 | ||||
| 467 | Q | 28.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | cis | -154.2 | 134.6 | 6.6 | -160.1 | 154.4 | -34 | 0 | 0 | 107.9 | ||||
| 468 | S | 34 | Very low | 32.2 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | 72.2 | 136.1 | 73.5 | 125.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 469 | S | 37.2 | Very low | 32.1 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -170.4 | 150.2 | 3.5 | 29 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 470 | Q | 34.1 | Very low | 31.7 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | 70.8 | 155.6 | 150.4 | -71.7 | 178.9 | 12.2 | 0 | 0 | 119.9 | ||||
| 471 | A | 28.9 | Very low | 31.6 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | cis | -139.5 | 177.4 | 6.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 472 | A | 28 | Very low | 31.3 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -118.8 | -153.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 473 | P | 39.8 | Very low | 31 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | cis | -143.8 | -159.5 | 15.6 | 35.7 | -8.9 | 0 | 0 | 0 | 116.4 | ||||
| 474 | L | 26.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 84.2 | 144.6 | 164.5 | -50.7 | -174.8 | 0 | 0 | 0 | 118.8 | ||||
| 475 | T | 27.2 | Very low | 31 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | cis | 178.9 | 128.9 | -47.6 | 28 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 476 | T | 27 | Very low | 30.8 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -170.6 | 109 | 158.5 | -79.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 477 | V | 30 | Very low | 30.6 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | 69.2 | 100.5 | 66.7 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | I479 | V477-I479 HydrophobicContact CG1-CD1 4.04Å; V477-I479 HydrophobicContact CG1-CG1 4.03Å | |||
| 478 | T | 28 | Very low | 30.8 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -113.7 | 126 | 167.9 | -55.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 479 | I | 29 | Very low | 30.8 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -122.6 | 138.9 | 177.4 | -65.1 | 176.8 | 0 | 0 | 0 | 108.9 | V477 | V477-I479 HydrophobicContact CG1-CD1 4.04Å; V477-I479 HydrophobicContact CG1-CG1 4.03Å | ||
| 480 | V | 28.6 | Very low | 31 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -100.5 | 138.4 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 481 | Q | 29.8 | Very low | 31.2 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -142 | 142 | 162.1 | -174.2 | 53.5 | 53.6 | 0 | 0 | 109.9 | ||||
| 482 | Q | 28.8 | Very low | 31.3 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -101.6 | 136.2 | -176.8 | -62.9 | 170.2 | -31.4 | 0 | 0 | 111.4 | ||||
| 483 | A | 25.8 | Very low | 31.5 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 47.2 | 176.1 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 484 | P | 41.5 | Very low | 31 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -134.8 | -172.3 | -7.7 | 45.8 | -30.3 | 0 | 0 | 0 | 114.7 | ||||
| 485 | L | 29.5 | Very low | 31.2 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | 61.4 | 138.6 | 154.9 | -67.8 | 170.7 | 0 | 0 | 0 | 121 | ||||
| 486 | G | 29.8 | Very low | 31.3 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 154.5 | 77.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 487 | Q | 29.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -78.6 | 141.1 | 176 | -64.8 | 178 | -71.7 | 0 | 0 | 111.6 | ||||
| 488 | H | 32.7 | Very low | 31.5 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -133.1 | 111.1 | 139.9 | -99.3 | -76.9 | 0 | 0 | 0 | 110.7 | ||||
| 489 | Q | 34.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 130.7 | -175.6 | 176.7 | 69.5 | 57.2 | 0 | 0 | 109.9 | I492 | Q489-I492 HydrophobicContact CG-CD1 4.48Å; Q489-I492 HydrophobicContact CG-CG1 4.47Å |
| 490 | L | 41.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 147.6 | 163.8 | -72.9 | 173.2 | 0 | 0 | 0 | 110.2 | ||
| 491 | P | 37.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 157 | -159.1 | -24.1 | 36.2 | 0 | 0 | 0 | 116.2 | ||
| 492 | I | 31.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 64% | 0.641 | 77% | 0.771 | S | S | * | * | trans | -121.2 | 164.4 | -175.9 | -28.2 | 175.5 | 0 | 0 | 0 | 110.4 | Q489 | Q489-I492 HydrophobicContact CG-CD1 4.48Å; Q489-I492 HydrophobicContact CG-CG1 4.47Å | ||
| 493 | K | 32.2 | Very low | 31.7 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 101.2 | 145.9 | 148.1 | -77.6 | 174.2 | 175.8 | 178.9 | 0 | 116.8 | ||||
| 494 | A | 29.6 | Very low | 32.4 | Very low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | cis | -156.7 | 156.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 495 | I | 29.8 | Very low | 31.8 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 43.2 | 114 | 77.2 | -41.3 | 174.5 | 0 | 0 | 0 | 110.8 | |||||
| 496 | T | 30.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | -150 | 152.4 | 61.9 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 497 | Q | 30.7 | Very low | 31.8 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | 84.2 | 138.7 | 100.1 | -171.8 | 176.4 | 5.1 | 0 | 0 | 119.2 | |||||
| 498 | N | 30.6 | Very low | 31.7 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -37.1 | 150.4 | 174.7 | -43.3 | -20 | 0 | 0 | 0 | 118.7 | ||||
| 499 | G | 29.7 | Very low | 31.4 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | 129.9 | 122.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 500 | T | 30.4 | Very low | 31.2 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | -6.7 | 139.5 | 148.9 | 45.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 501 | H | 29.5 | Very low | 30.6 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | -178.5 | 157.8 | 73.7 | -167.5 | -148.4 | 0 | 0 | 0 | 113.1 | |||||
| 502 | L | 28 | Very low | 30.3 | Very low | 141 Ų | 141 | 125 Ų | 125 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 67.8 | 145.3 | 161.1 | -80.5 | 170.4 | 0 | 0 | 0 | 123.5 | ||||
| 503 | V | 30.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -90.4 | 164.4 | 164.9 | -148.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 504 | P | 39.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -138.2 | 161.3 | 109.3 | 37 | -26.1 | 0 | 0 | 0 | 116 | |||||
| 505 | I | 29.7 | Very low | 30.7 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -76.9 | 144.2 | -173.1 | -61.9 | 151.5 | 0 | 0 | 0 | 112.3 | ||||
| 506 | S | 29.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 156.4 | 148.1 | 140.2 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 507 | T | 28.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | -167.2 | 146.6 | -15.7 | 24.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 508 | A | 28.1 | Very low | 31.5 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 62.2 | 165.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 509 | A | 27.6 | Very low | 31.7 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -164.9 | 165.4 | -36.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 510 | S | 29.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 72.9 | 143.5 | 147.8 | 74.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 511 | S | 30 | Very low | 32.1 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | 79.3 | 152.8 | 150.6 | 77.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 512 | A | 30.6 | Very low | 32.1 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -142.8 | 159.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 513 | N | 33.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 141.7 | 178.8 | -51.7 | -29.5 | 0 | 0 | 0 | 114.9 | ||||
| 514 | P | 39.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | -138.4 | 149.7 | 102.5 | 33.9 | -20.2 | 0 | 0 | 0 | 115.9 | |||||
| 515 | L | 29.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 23.2 | 129.8 | 140.8 | -57.4 | 169.2 | 0 | 0 | 0 | 120.1 | ||||
| 516 | H | 34.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 117.6 Ų | 117.6 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | 81.9 | 123.7 | 43.7 | -171 | -120.4 | 0 | 0 | 0 | 113.7 | ||||
| 517 | L | 35.9 | Very low | 32.3 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -147.8 | 150 | 175.2 | -122.7 | 167.3 | 0 | 0 | 0 | 111.3 | ||||
| 518 | L | 36.9 | Very low | 32.3 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -102 | 175 | -167.5 | -133.8 | 72.6 | 0 | 0 | 0 | 110 | ||||
| 519 | A | 36 | Very low | 33.5 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 54% | 0.537 | 76% | 0.761 | S | S | . | * | cis | -164.3 | 167.2 | 8.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 520 | T | 32.7 | Very low | 33.7 | Very low | 119 Ų | 119 | 123 Ų | 123 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | 63.8 | 153.8 | 147.3 | 49.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 521 | H | 35 | Very low | 33.8 | Very low | 171 Ų | 171 | 126.3 Ų | 126.3 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -138.2 | 150.4 | 22.9 | -93 | -91.9 | 0 | 0 | 0 | 114.7 | ||||
| 522 | A | 30.1 | Very low | 33.7 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | 41.9 | 152.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 523 | S | 34.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | cis | 175.8 | 156 | -17.5 | -87.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 524 | A | 31.9 | Very low | 33.7 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | cis | -148.6 | -162.2 | -11.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 525 | S | 30.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -149.1 | 164.1 | 14 | -75.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 526 | A | 34 | Very low | 33.4 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 57.1 | 123.5 | 64.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 527 | S | 29.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | cis | -150.8 | 172.3 | 16.2 | -71 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 528 | L | 29.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -91.1 | -158.4 | 177.6 | -52.4 | 162.8 | 0 | 0 | 0 | 110.9 | ||||
| 529 | P | 52.9 | Low | 32.8 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | cis | -139.3 | -175.3 | -13.6 | 39 | -19 | 0 | 0 | 0 | 116.1 | ||||
| 530 | T | 31.9 | Very low | 33.3 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 139.5 | 156.4 | 140.7 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 531 | K | 30.2 | Very low | 34.6 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | cis | -170.8 | 157.8 | -32.9 | -177.3 | 172.1 | 176.5 | 174.1 | 0 | 109.4 | ||||
| 532 | R | 29 | Very low | 34.3 | Very low | 217 Ų | 217 | 133.3 Ų | 133.3 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | 91.5 | 128.8 | 172.5 | -54.3 | -175.3 | -176.1 | -159.9 | -1.5 | 114.3 | ||||
| 533 | Q | 31.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | 88.1 | 124.8 | 38.6 | -175.5 | -175.9 | 17 | 0 | 0 | 111.4 | ||||
| 534 | N | 30.5 | Very low | 34.4 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | cis | -141.7 | -176.6 | 3.1 | -133.6 | 47 | 0 | 0 | 0 | 108.9 | ||||
| 535 | G | 31.8 | Very low | 34.4 | Very low | 59 Ų | 59 | 144.3 Ų | 144.3 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | cis | 143.3 | 149.4 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 536 | E | 31.8 | Very low | 34.7 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | 68.6 | 152.7 | 173 | -75 | 176.3 | 93.9 | 0 | 0 | 118.1 | ||||
| 537 | L | 32.2 | Very low | 34.8 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | cis | -156.3 | 139.1 | 8.2 | -126.2 | 164.9 | 0 | 0 | 0 | 113.7 | ||||
| 538 | Q | 31.6 | Very low | 35.3 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | 57.3 | 145.9 | 149.5 | -89 | 164.6 | 16.5 | 0 | 0 | 128.5 | ||||
| 539 | D | 30 | Very low | 35.6 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -85.6 | -169.5 | 171.4 | -73.8 | -79 | 0 | 0 | 0 | 114.9 | ||||
| 540 | P | 46.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -128.2 | -115.1 | -31 | 27.7 | -1.9 | 0 | 0 | 0 | 114.7 | ||||
| 541 | P | 60.9 | Low | 35.2 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -133.1 | -146.4 | -137.6 | 44 | -18.9 | 0 | 0 | 0 | 116 | ||||
| 542 | E | 28.1 | Very low | 35.4 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | 87.3 | 161.6 | 175.8 | -60.8 | -153 | 144.1 | 0 | 0 | 118.4 | ||||
| 543 | S | 34.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | cis | -162.7 | 167.8 | -43.6 | 72.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 544 | K | 33.8 | Very low | 36.6 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | 33.6 | 125.2 | 156.4 | -63.8 | 171 | -178.8 | 168.2 | 0 | 120.9 | ||||
| 545 | R | 30.9 | Very low | 37 | Very low | 251 Ų | 251 | 137.2 Ų | 137.2 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | -160.4 | 150.7 | 114.3 | -132.5 | 174 | -179.9 | 147 | 2.2 | 114.1 | |||||
| 546 | A | 36.9 | Very low | 37.1 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -129.6 | 161.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 547 | K | 36.4 | Very low | 37.4 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | -153.2 | 150.5 | 165.8 | -168.9 | 166.6 | -179.1 | -174.5 | 0 | 111 | ||||
| 548 | T | 39.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | trans | -122.6 | -161.4 | -173.5 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 549 | D | 37 | Very low | 37.6 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | 90.2 | 109.5 | 164.9 | -34.2 | -25.7 | 0 | 0 | 0 | 112.2 | ||||
| 550 | E | 38.7 | Very low | 38 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | 76.6 | 141.8 | 77.7 | -78.2 | -168.8 | 151.9 | 0 | 0 | 113.1 | |||||
| 551 | E | 37.5 | Very low | 37.6 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | cis | -159.2 | -176 | 3.8 | -151.4 | -143 | 141.6 | 0 | 0 | 111.2 | ||||
| 552 | N | 33.7 | Very low | 36.4 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 91.1 | 149.2 | 145.8 | -115.9 | -59.4 | 0 | 0 | 0 | 123.2 | ||||
| 553 | G | 33.8 | Very low | 36.8 | Very low | 58 Ų | 58 | 132 Ų | 132 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | trans | -106.2 | -156.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 554 | P | 53.6 | Low | 36.9 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | -142.3 | -165.1 | 55.9 | 40.4 | -21.3 | 0 | 0 | 0 | 115.1 | |||||
| 555 | A | 37 | Very low | 37.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -141.4 | 153.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 556 | T | 33.8 | Very low | 37.4 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -176.2 | 168.5 | 166.3 | 24.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 557 | A | 38.3 | Very low | 37.5 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | cis | 177.5 | 157.3 | -37.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 558 | I | 37.3 | Very low | 37.4 | Very low | 170 Ų | 170 | 121.1 Ų | 121.1 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | cis | -162.2 | 150.8 | -18.6 | -104.6 | 164.2 | 0 | 0 | 0 | 105.4 | ||||
| 559 | G | 32.3 | Very low | 37.3 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 178.8 | 101.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 560 | N | 36.7 | Very low | 37.5 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -103.6 | 153.9 | 172 | -59.5 | -8.4 | 0 | 0 | 0 | 110.8 | ||||
| 561 | N | 38.1 | Very low | 37.9 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | 172.5 | 160.4 | 106.9 | -90.1 | -29.1 | 0 | 0 | 0 | 116.1 | |||||
| 562 | N | 36.8 | Very low | 38.4 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -53.5 | 165.7 | 173 | -43.6 | -33.1 | 0 | 0 | 0 | 114.1 | ||||
| 563 | G | 35.7 | Very low | 39.2 | Very low | 66 Ų | 66 | 118.9 Ų | 118.9 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | cis | 136.7 | 177.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 564 | T | 37.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 83.3 | 153.6 | 167.3 | -20.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 565 | T | 38.6 | Very low | 39.2 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | 67.1 | 148.8 | 169.2 | 57.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 566 | D | 35.9 | Very low | 39.3 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | -167.2 | 163.3 | -20.6 | 175.2 | 48.1 | 0 | 0 | 0 | 109.6 | ||||
| 567 | S | 38.9 | Very low | 39.6 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 49.7 | 164.5 | 156.3 | 56 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 568 | G | 35.9 | Very low | 39.7 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 122.3 | 128.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 569 | G | 37.4 | Very low | 39.8 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -147.9 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 570 | E | 41.4 | Very low | 40.3 | Very low | 204 Ų | 204 | 132.3 Ų | 132.3 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | 74.2 | 167.1 | 158.5 | -140.3 | 162 | 127 | 0 | 0 | 119.3 | ||||
| 571 | A | 46.1 | Very low | 40.6 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | 74.6 | 95.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 572 | D | 48.7 | Very low | 40.8 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | 60 | 158.8 | 118.7 | -81.5 | -77.7 | 0 | 0 | 0 | 126 | |||||
| 573 | D | 50.6 | Low | 41.1 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | 65.1 | 121.9 | 167.8 | -156.3 | 59.7 | 0 | 0 | 0 | 115.1 | ||||
| 574 | K | 47 | Very low | 41.6 | Very low | 241 Ų | 241 | 134 Ų | 134 | 100% | 1.048 | 81% | 0.809 | S | S | * | * | cis | -164.5 | 0 | 38.9 | -162.8 | 169.9 | -139.3 | 65.9 | 0 | 113.3 |
Retrieved 574 of 574 residues in 343.4 ms
(Link to these results)