| 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 | 58.8 | Low | 71.1 | Confident | 209 Ų | 209 | 143.9 Ų | 143.9 | 100% | 1.03 | 68% | 0.683 | S | S | * | * | 0 | -28.6 | 0 | -77.2 | -127.3 | -73.4 | 0 | 0 | 112.4 | |||||
| 2 | E | 60.2 | Low | 72.3 | Confident | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.7 | -46.3 | 172.3 | -95.7 | 149.5 | 162.1 | 0 | 0 | 113.8 | Q4 K5 E6 | E2-Q4 VanDerWaalsContact C-N 3.3Å; E2-Q4 PolarHBondContact O-N 2.9Å; E2-K5 WeakPolarHBondContact O-CB 3.48Å; E2-K5 PolarHBondContact O-N 3.06Å; E2-E6 PolarHBondContact O-N 3.44Å |
| 3 | E | 62.5 | Low | 73.6 | Confident | 150 Ų | 150 | 134.8 Ų | 134.8 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.5 | -33.7 | -176.5 | -161.2 | 174.6 | -161.9 | 0 | 0 | 114.1 | N7 | E3-N7 PolarHBondContact O-N 2.86Å; E3-N7 VanDerWaalsContact O-N 3.12Å; E3-N7 PolarHBondContact O-ND2 3.22Å |
| 4 | Q | 66.1 | Low | 74.9 | Confident | 154 Ų | 154 | 133.6 Ų | 133.6 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.3 | -33.2 | 174.9 | -108 | -178.4 | -19.2 | 0 | 0 | 113 | E2 Q8 | E2-Q4 VanDerWaalsContact C-N 3.3Å; E2-Q4 PolarHBondContact O-N 2.9Å; Q4-Q8 PolarHBondContact O-N 3.12Å |
| 5 | K | 67.6 | Low | 76.1 | Confident | 151 Ų | 151 | 131.5 Ų | 131.5 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.7 | -37.6 | 175.6 | -84 | -177.9 | 173.3 | -179.2 | 0 | 111.1 | E2 Q8 L9 | E2-K5 WeakPolarHBondContact O-CB 3.48Å; E2-K5 PolarHBondContact O-N 3.06Å; K5-Q8 PolarHBondContact O-N 3.2Å; K5-L9 WeakPolarHBondContact O-CG 3.44Å; K5-L9 PolarHBondContact O-N 3.5Å |
| 6 | E | 69.4 | Low | 77.1 | Confident | 136 Ų | 136 | 132.4 Ų | 132.4 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.9 | -46.5 | 178.5 | -161.8 | 166.4 | -167.4 | 0 | 0 | 111.2 | E2 Q8 L9 D10 | E2-E6 PolarHBondContact O-N 3.44Å; E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 2.94Å; E6-L9 PolarHBondContact O-N 3.22Å; E6-D10 WeakPolarHBondContact O-CB 3.49Å; E6-D10 PolarHBondContact O-N 3.01Å |
| 7 | N | 74.1 | Confident | 78.1 | Confident | 106 Ų | 106 | 128.6 Ų | 128.6 | 57% | 0.567 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.6 | -33.7 | 174.3 | -73 | -23.6 | 0 | 0 | 0 | 113.5 | E3 Y11 | E3-N7 PolarHBondContact O-N 2.86Å; E3-N7 VanDerWaalsContact O-N 3.12Å; E3-N7 PolarHBondContact O-ND2 3.22Å; N7-Y11 WeakPolarHBondContact O-CB 3.46Å; N7-Y11 PolarHBondContact O-N 3.44Å; N7-Y11 VanDerWaalsContact O-N 3.12Å |
| 8 | Q | 77.4 | Confident | 79 | Confident | 130 Ų | 130 | 127.1 Ų | 127.1 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.5 | -36.2 | 177.3 | -170.6 | 168.5 | 10.6 | 0 | 0 | 112.2 | Q4 K5 E6 E12 | Q4-Q8 PolarHBondContact O-N 3.12Å; K5-Q8 PolarHBondContact O-N 3.2Å; E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 2.94Å; Q8-E12 PolarHBondContact O-N 3.14Å |
| 9 | L | 77.8 | Confident | 79.9 | Confident | 129 Ų | 129 | 126.5 Ų | 126.5 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.3 | -38.7 | 174.3 | -72.1 | 169.6 | 0 | 0 | 0 | 111.8 | K5 E6 E12 S13 | K5-L9 WeakPolarHBondContact O-CG 3.44Å; K5-L9 PolarHBondContact O-N 3.5Å; E6-L9 PolarHBondContact O-N 3.22Å; L9-E12 PolarHBondContact O-N 3.33Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 2.84Å |
| 10 | D | 83.6 | Confident | 80.8 | Confident | 107 Ų | 107 | 128 Ų | 128 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65 | -42.1 | 177 | -163.2 | 42.2 | 0 | 0 | 0 | 111.6 | E6 E12 S13 E14 | E6-D10 WeakPolarHBondContact O-CB 3.49Å; E6-D10 PolarHBondContact O-N 3.01Å; D10-E12 PolarHBondContact O-N 2.98Å; D10-S13 WeakPolarHBondContact O-CB 3.47Å; D10-S13 PolarHBondContact O-N 2.98Å; D10-E14 PolarHBondContact O-N 3.12Å |
| 11 | Y | 84.8 | Confident | 81.5 | Confident | 143 Ų | 143 | 126.4 Ų | 126.4 | 56% | 0.561 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 175 | -178.4 | -102.5 | 0 | 0 | 0 | 113.4 | N7 S13 E14 K15 | N7-Y11 WeakPolarHBondContact O-CB 3.46Å; N7-Y11 PolarHBondContact O-N 3.44Å; N7-Y11 VanDerWaalsContact O-N 3.12Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; Y11-E14 PolarHBondContact O-N 3.42Å; Y11-K15 WeakPolarHBondContact O-CB 3.25Å; Y11-K15 PolarHBondContact O-N 2.99Å |
| 12 | E | 86 | Confident | 83.3 | Confident | 96 Ų | 96 | 119.2 Ų | 119.2 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -33.9 | 175.8 | -70.2 | -63.7 | 157.3 | 0 | 0 | 111.9 | Q8 L9 D10 M16 | Q8-E12 PolarHBondContact O-N 3.14Å; L9-E12 PolarHBondContact O-N 3.33Å; D10-E12 PolarHBondContact O-N 2.98Å; E12-M16 WeakPolarHBondContact O-CB 3.47Å; E12-M16 PolarHBondContact O-N 3.11Å |
| 13 | S | 88.9 | Confident | 85.1 | Confident | 74 Ų | 74 | 116 Ų | 116 | 52% | 0.517 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -47.9 | 172.7 | -174 | 0 | 0 | 0 | 0 | 111.7 | L9 D10 Y11 K15 M16 E17 | L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 2.84Å; D10-S13 WeakPolarHBondContact O-CB 3.47Å; D10-S13 PolarHBondContact O-N 2.98Å; Y11-S13 VanDerWaalsContact C-N 3.34Å; S13-K15 PolarHBondContact O-N 3.47Å; S13-M16 PolarHBondContact O-N 3.46Å; S13-E17 WeakPolarHBondContact O-CB 3.21Å; S13-E17 PolarHBondContact O-N 3.07Å |
| 14 | E | 91.2 | Very high | 86.8 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.8 | -170.4 | -177.8 | -171 | 0 | 0 | 111.5 | D10 Y11 M16 E17 I18 | D10-E14 PolarHBondContact O-N 3.12Å; Y11-E14 PolarHBondContact O-N 3.42Å; E14-M16 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 3.08Å; E14-E17 WeakPolarHBondContact O-CB 3.38Å; E14-E17 PolarHBondContact O-N 3.4Å; E14-I18 HydrophobicContact CG-CD1 4.18Å; E14-I18 VanDerWaalsContact O-CG1 3.28Å; E14-I18 WeakPolarHBondContact O-CG1 3.36Å; E14-I18 PolarHBondContact O-N 2.85Å |
| 15 | K | 93.3 | Very high | 88.3 | Confident | 103 Ų | 103 | 111 Ų | 111 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 175.8 | -175.3 | -178.5 | 175.2 | -171.1 | 0 | 112.4 | Y11 S13 E17 I18 L19 | Y11-K15 WeakPolarHBondContact O-CB 3.25Å; Y11-K15 PolarHBondContact O-N 2.99Å; S13-K15 PolarHBondContact O-N 3.47Å; K15-E17 VanDerWaalsContact C-N 3.35Å; K15-I18 PolarHBondContact O-N 3.08Å; K15-L19 WeakPolarHBondContact O-CG 3.49Å; K15-L19 PolarHBondContact O-N 3.4Å; K15-L19 VanDerWaalsContact O-N 3.16Å |
| 16 | M | 92.7 | Very high | 89.7 | Confident | 145 Ų | 145 | 110.6 Ų | 110.6 | 71% | 0.714 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | 175.9 | -165.6 | 174.4 | -156.4 | 0 | 0 | 111.4 | E12 S13 E14 L19 R20 | E12-M16 WeakPolarHBondContact O-CB 3.47Å; E12-M16 PolarHBondContact O-N 3.11Å; S13-M16 PolarHBondContact O-N 3.46Å; E14-M16 VanDerWaalsContact C-N 3.34Å; E14-M16 PolarHBondContact O-N 3.08Å; M16-L19 PolarHBondContact O-N 2.99Å; M16-R20 PolarHBondContact O-N 3.02Å |
| 17 | E | 94 | Very high | 91.1 | Very high | 68 Ų | 68 | 108.5 Ų | 108.5 | 32% | 0.318 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.7 | -176.8 | 58 | -158 | 0 | 0 | 111.9 | S13 E14 K15 L19 R20 L21 | S13-E17 WeakPolarHBondContact O-CB 3.21Å; S13-E17 PolarHBondContact O-N 3.07Å; E14-E17 WeakPolarHBondContact O-CB 3.38Å; E14-E17 PolarHBondContact O-N 3.4Å; K15-E17 VanDerWaalsContact C-N 3.35Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.86Å; E17-R20 WeakPolarHBondContact O-CB 3.34Å; E17-R20 PolarHBondContact O-N 2.94Å; E17-R20 IonicContact OE1-CZ 3.54Å; E17-R20 IonicContact OE1-NE 2.64Å; E17-R20 IonicContact OE1-NH2 2.75Å; E17-R20 PolarHBondContact OE1-NH2 3.33Å; E17-R20 IonicContact OE2-CZ 3.35Å; E17-R20 IonicContact OE2-NE 3.52Å; E17-R20 PolarHBondContact OE2-NE 3.37Å; E17-R20 IonicContact OE2-NH2 2.61Å; E17-R20 PolarHBondContact OE2-NH2 2.99Å; E17-L21 HydrophobicContact CG-CD1 4.14Å; E17-L21 HydrophobicContact CG-CG 4.45Å; E17-L21 WeakPolarHBondContact O-CB 3.45Å; E17-L21 VanDerWaalsContact O-CG 3.32Å; E17-L21 WeakPolarHBondContact O-CG 3.36Å; E17-L21 PolarHBondContact O-N 3.42Å |
| 18 | I | 94.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 107.9 Ų | 107.9 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 175.1 | -70.6 | 165.8 | 0 | 0 | 0 | 111 | E14 K15 L21 A22 | E14-I18 HydrophobicContact CG-CD1 4.18Å; E14-I18 VanDerWaalsContact O-CG1 3.28Å; E14-I18 WeakPolarHBondContact O-CG1 3.36Å; E14-I18 PolarHBondContact O-N 2.85Å; K15-I18 PolarHBondContact O-N 3.08Å; I18-L21 PolarHBondContact O-N 3.36Å; I18-A22 WeakPolarHBondContact O-CB 3.44Å; I18-A22 PolarHBondContact O-N 2.82Å |
| 19 | L | 95.9 | Very high | 93.2 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 176.1 | -72.3 | 171.9 | 0 | 0 | 0 | 111.8 | K15 M16 E17 A22 Q23 | K15-L19 WeakPolarHBondContact O-CG 3.49Å; K15-L19 PolarHBondContact O-N 3.4Å; K15-L19 VanDerWaalsContact O-N 3.16Å; M16-L19 PolarHBondContact O-N 2.99Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.86Å; L19-A22 PolarHBondContact O-N 2.93Å; L19-Q23 PolarHBondContact O-N 2.84Å |
| 20 | R | 96.7 | Very high | 94.2 | Very high | 156 Ų | 156 | 103.1 Ų | 103.1 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 176.2 | -171.6 | 178.3 | 69.6 | 109.9 | -6.7 | 111.5 | M16 E17 Q23 S24 | M16-R20 PolarHBondContact O-N 3.02Å; E17-R20 WeakPolarHBondContact O-CB 3.34Å; E17-R20 PolarHBondContact O-N 2.94Å; E17-R20 IonicContact OE1-CZ 3.54Å; E17-R20 IonicContact OE1-NE 2.64Å; E17-R20 IonicContact OE1-NH2 2.75Å; E17-R20 PolarHBondContact OE1-NH2 3.33Å; E17-R20 IonicContact OE2-CZ 3.35Å; E17-R20 IonicContact OE2-NE 3.52Å; E17-R20 PolarHBondContact OE2-NE 3.37Å; E17-R20 IonicContact OE2-NH2 2.61Å; E17-R20 PolarHBondContact OE2-NH2 2.99Å; R20-Q23 PolarHBondContact O-N 3.14Å; R20-S24 WeakPolarHBondContact O-CB 3.35Å; R20-S24 PolarHBondContact O-N 3.04Å |
| 21 | L | 97.2 | Very high | 94.9 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 176.3 | -71.1 | 173.8 | 0 | 0 | 0 | 111.9 | E17 I18 Q23 S24 K25 | E17-L21 HydrophobicContact CG-CD1 4.14Å; E17-L21 HydrophobicContact CG-CG 4.45Å; E17-L21 WeakPolarHBondContact O-CB 3.45Å; E17-L21 VanDerWaalsContact O-CG 3.32Å; E17-L21 WeakPolarHBondContact O-CG 3.36Å; E17-L21 PolarHBondContact O-N 3.42Å; I18-L21 PolarHBondContact O-N 3.36Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-N 3.01Å; L21-K25 WeakPolarHBondContact O-CB 3.49Å; L21-K25 PolarHBondContact O-N 3.36Å |
| 22 | A | 96.6 | Very high | 95.5 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I18 L19 K25 K26 | I18-A22 WeakPolarHBondContact O-CB 3.44Å; I18-A22 PolarHBondContact O-N 2.82Å; L19-A22 PolarHBondContact O-N 2.93Å; A22-K25 PolarHBondContact O-N 2.9Å; A22-K26 PolarHBondContact O-N 3.15Å |
| 23 | Q | 97.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 100.7 Ų | 100.7 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 174.7 | -174.7 | 60.1 | 38.1 | 0 | 0 | 111.7 | L19 R20 L21 K25 K26 N27 | L19-Q23 PolarHBondContact O-N 2.84Å; R20-Q23 PolarHBondContact O-N 3.14Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.45Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.26Å; Q23-K26 PolarHBondContact O-N 3.43Å; Q23-N27 PolarHBondContact NE2-OD1 3.01Å; Q23-N27 VanDerWaalsContact O-CG 3.27Å; Q23-N27 PolarHBondContact O-N 2.86Å; Q23-N27 PolarHBondContact O-OD1 2.93Å |
| 24 | S | 97.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 100 Ų | 100 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | R20 L21 K26 N27 I28 | R20-S24 WeakPolarHBondContact O-CB 3.35Å; R20-S24 PolarHBondContact O-N 3.04Å; L21-S24 PolarHBondContact O-N 3.01Å; S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.02Å; S24-N27 WeakPolarHBondContact O-CB 3.43Å; S24-N27 PolarHBondContact O-N 2.94Å; S24-N27 VanDerWaalsContact O-N 3.15Å; S24-I28 WeakPolarHBondContact O-CG1 3.26Å; S24-I28 PolarHBondContact O-N 3.4Å |
| 25 | K | 98.1 | Very high | 96.9 | Very high | 142 Ų | 142 | 99.1 Ų | 99.1 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.9 | -44.7 | 175.1 | -178.2 | 180 | 179.9 | 179.7 | 0 | 111.8 | L21 A22 Q23 N27 I28 I29 | L21-K25 WeakPolarHBondContact O-CB 3.49Å; L21-K25 PolarHBondContact O-N 3.36Å; A22-K25 PolarHBondContact O-N 2.9Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.26Å; K25-N27 VanDerWaalsContact C-N 3.33Å; K25-N27 PolarHBondContact O-N 3.21Å; K25-I28 PolarHBondContact O-N 2.78Å; K25-I29 HydrophobicContact CG-CD1 4.01Å; K25-I29 VanDerWaalsContact O-CG1 3.29Å; K25-I29 WeakPolarHBondContact O-CG1 3.45Å; K25-I29 PolarHBondContact O-N 2.99Å |
| 26 | K | 97.8 | Very high | 97.1 | Very high | 144 Ų | 144 | 99.7 Ų | 99.7 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 176.8 | -173.7 | 179.6 | 176.9 | -177.7 | 0 | 111.6 | A22 Q23 S24 I29 S30 | A22-K26 PolarHBondContact O-N 3.15Å; Q23-K26 PolarHBondContact O-N 3.43Å; S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.02Å; K26-I29 PolarHBondContact O-N 3.19Å; K26-S30 PolarHBondContact O-N 3.21Å |
| 27 | N | 97.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 97.5 Ų | 97.5 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.1 | -65.2 | -6.5 | 0 | 0 | 0 | 111.5 | Q23 S24 K25 I29 S30 L31 | Q23-N27 PolarHBondContact NE2-OD1 3.01Å; Q23-N27 VanDerWaalsContact O-CG 3.27Å; Q23-N27 PolarHBondContact O-N 2.86Å; Q23-N27 PolarHBondContact O-OD1 2.93Å; S24-N27 WeakPolarHBondContact O-CB 3.43Å; S24-N27 PolarHBondContact O-N 2.94Å; S24-N27 VanDerWaalsContact O-N 3.15Å; K25-N27 VanDerWaalsContact C-N 3.33Å; K25-N27 PolarHBondContact O-N 3.21Å; N27-I29 VanDerWaalsContact C-N 3.35Å; N27-I29 PolarHBondContact O-N 2.86Å; N27-S30 PolarHBondContact O-N 3.37Å; N27-L31 WeakPolarHBondContact O-CB 3.38Å; N27-L31 PolarHBondContact O-N 3.2Å |
| 28 | I | 98.2 | Very high | 97.6 | Very high | 92 Ų | 92 | 97.8 Ų | 97.8 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 177.3 | -68.2 | 166.5 | 0 | 0 | 0 | 111 | S24 K25 S30 L31 N32 | S24-I28 WeakPolarHBondContact O-CG1 3.26Å; S24-I28 PolarHBondContact O-N 3.4Å; K25-I28 PolarHBondContact O-N 2.78Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.45Å; I28-L31 PolarHBondContact O-N 3.09Å; I28-N32 WeakPolarHBondContact O-CB 3.48Å; I28-N32 VanDerWaalsContact O-CG 3.3Å; I28-N32 PolarHBondContact O-N 3.42Å |
| 29 | I | 98.1 | Very high | 97.8 | Very high | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.6 | -68.8 | 165.5 | 0 | 0 | 0 | 111 | K25 K26 N27 N32 M33 | K25-I29 HydrophobicContact CG-CD1 4.01Å; K25-I29 VanDerWaalsContact O-CG1 3.29Å; K25-I29 WeakPolarHBondContact O-CG1 3.45Å; K25-I29 PolarHBondContact O-N 2.99Å; K26-I29 PolarHBondContact O-N 3.19Å; N27-I29 VanDerWaalsContact C-N 3.35Å; N27-I29 PolarHBondContact O-N 2.86Å; I29-N32 PolarHBondContact O-N 2.91Å; I29-M33 PolarHBondContact O-N 3.47Å |
| 30 | S | 98 | Very high | 97.9 | Very high | 58 Ų | 58 | 97.3 Ų | 97.3 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 176 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | K26 N27 I28 N32 M33 D34 | K26-S30 PolarHBondContact O-N 3.21Å; N27-S30 PolarHBondContact O-N 3.37Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.45Å; S30-N32 VanDerWaalsContact C-N 3.34Å; S30-N32 PolarHBondContact O-N 2.82Å; S30-M33 PolarHBondContact O-N 3.34Å; S30-D34 PolarHBondContact O-N 3.33Å |
| 31 | L | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 96.3 Ų | 96.3 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | -180 | -175.9 | 64.6 | 0 | 0 | 0 | 111.9 | N27 I28 M33 D34 L35 | N27-L31 WeakPolarHBondContact O-CB 3.38Å; N27-L31 PolarHBondContact O-N 3.2Å; I28-L31 PolarHBondContact O-N 3.09Å; L31-M33 VanDerWaalsContact C-N 3.34Å; L31-M33 PolarHBondContact O-N 2.85Å; L31-D34 PolarHBondContact O-N 3.02Å; L31-L35 HydrophobicContact CD1-CD1 3.98Å; L31-L35 HydrophobicContact CG-CD1 3.97Å; L31-L35 WeakPolarHBondContact O-CD1 3.49Å; L31-L35 PolarHBondContact O-N 2.96Å |
| 32 | N | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.4 | -74.1 | -9.6 | 0 | 0 | 0 | 111.9 | I28 I29 S30 D34 L35 E36 | I28-N32 WeakPolarHBondContact O-CB 3.48Å; I28-N32 VanDerWaalsContact O-CG 3.3Å; I28-N32 PolarHBondContact O-N 3.42Å; I29-N32 PolarHBondContact O-N 2.91Å; S30-N32 VanDerWaalsContact C-N 3.34Å; S30-N32 PolarHBondContact O-N 2.82Å; N32-D34 VanDerWaalsContact C-N 3.31Å; N32-D34 PolarHBondContact O-N 3.43Å; N32-L35 PolarHBondContact O-N 3.41Å; N32-E36 WeakPolarHBondContact O-CB 3.44Å; N32-E36 PolarHBondContact O-N 2.95Å |
| 33 | M | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 50% | 0.502 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 176.2 | -172.8 | -178.1 | 64.3 | 0 | 0 | 111.7 | I29 S30 L31 R37 | I29-M33 PolarHBondContact O-N 3.47Å; S30-M33 PolarHBondContact O-N 3.34Å; L31-M33 VanDerWaalsContact C-N 3.34Å; L31-M33 PolarHBondContact O-N 2.85Å; M33-R37 PolarHBondContact O-N 3.09Å |
| 34 | D | 98.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 98.9 Ų | 98.9 | 31% | 0.31 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 175.7 | -67.1 | -26.4 | 0 | 0 | 0 | 111.5 | S30 L31 N32 E36 R37 D38 | S30-D34 PolarHBondContact O-N 3.33Å; L31-D34 PolarHBondContact O-N 3.02Å; N32-D34 VanDerWaalsContact C-N 3.31Å; N32-D34 PolarHBondContact O-N 3.43Å; D34-E36 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact O-N 3.36Å; D34-R37 PolarHBondContact O-N 3.18Å; D34-R37 IonicContact OD1-CZ 3.13Å; D34-R37 IonicContact OD1-NH1 2.71Å; D34-R37 PolarHBondContact OD1-NH1 2.94Å; D34-R37 IonicContact OD1-NH2 2.78Å; D34-D38 PolarHBondContact O-N 3.41Å |
| 35 | L | 98.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 98.4 Ų | 98.4 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 173.4 | -103.4 | 86.5 | 0 | 0 | 0 | 112.4 | L31 N32 R37 D38 M39 | L31-L35 HydrophobicContact CD1-CD1 3.98Å; L31-L35 HydrophobicContact CG-CD1 3.97Å; L31-L35 WeakPolarHBondContact O-CD1 3.49Å; L31-L35 PolarHBondContact O-N 2.96Å; N32-L35 PolarHBondContact O-N 3.41Å; L35-R37 VanDerWaalsContact C-N 3.29Å; L35-R37 PolarHBondContact O-N 3.02Å; L35-D38 PolarHBondContact O-N 2.86Å; L35-M39 WeakPolarHBondContact O-CB 3.33Å; L35-M39 PolarHBondContact O-N 2.83Å |
| 36 | E | 98.4 | Very high | 98.3 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 179.9 | -169.7 | 161.1 | -152.4 | 0 | 0 | 111.3 | N32 D34 M39 Q40 | N32-E36 WeakPolarHBondContact O-CB 3.44Å; N32-E36 PolarHBondContact O-N 2.95Å; D34-E36 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact O-N 3.36Å; E36-M39 HydrophobicContact CG-CE 4.49Å; E36-M39 PolarHBondContact O-N 3.14Å; E36-Q40 WeakPolarHBondContact O-CG 3.38Å; E36-Q40 PolarHBondContact O-N 3.47Å |
| 37 | R | 98.4 | Very high | 98.3 | Very high | 100 Ų | 100 | 95.2 Ų | 95.2 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 173.4 | -164.1 | -175 | -55.4 | 105.8 | 5.4 | 112.4 | M33 D34 L35 R41 | M33-R37 PolarHBondContact O-N 3.09Å; D34-R37 PolarHBondContact O-N 3.18Å; D34-R37 IonicContact OD1-CZ 3.13Å; D34-R37 IonicContact OD1-NH1 2.71Å; D34-R37 PolarHBondContact OD1-NH1 2.94Å; D34-R37 IonicContact OD1-NH2 2.78Å; L35-R37 VanDerWaalsContact C-N 3.29Å; L35-R37 PolarHBondContact O-N 3.02Å; R37-R41 WeakPolarHBondContact O-CG 3.48Å; R37-R41 PolarHBondContact O-N 3.32Å; R37-R41 PolarHBondContact O-NE 3.34Å |
| 38 | D | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 97.6 Ų | 97.6 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176.1 | -73 | -8.7 | 0 | 0 | 0 | 111.2 | D34 L35 R41 I42 | D34-D38 PolarHBondContact O-N 3.41Å; L35-D38 PolarHBondContact O-N 2.86Å; D38-R41 PolarHBondContact O-N 3.33Å; D38-R41 IonicContact OD1-CZ 3.72Å; D38-R41 VanDerWaalsContact OD1-CZ 3.22Å; D38-R41 IonicContact OD1-NE 2.73Å; D38-R41 IonicContact OD1-NH2 3.68Å; D38-R41 PolarHBondContact OD1-NH2 3.05Å; D38-I42 WeakPolarHBondContact O-CG1 3.48Å; D38-I42 PolarHBondContact O-N 3.34Å |
| 39 | M | 98.3 | Very high | 98.4 | Very high | 106 Ų | 106 | 97.6 Ų | 97.6 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 175.5 | -172.2 | 174 | 64.7 | 0 | 0 | 111.3 | L35 E36 R41 I42 D43 | L35-M39 WeakPolarHBondContact O-CB 3.33Å; L35-M39 PolarHBondContact O-N 2.83Å; E36-M39 HydrophobicContact CG-CE 4.49Å; E36-M39 PolarHBondContact O-N 3.14Å; M39-R41 VanDerWaalsContact C-N 3.34Å; M39-R41 PolarHBondContact O-N 2.95Å; M39-I42 PolarHBondContact O-N 3.09Å; M39-D43 PolarHBondContact O-N 3.08Å |
| 40 | Q | 98.3 | Very high | 98.4 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 175.2 | -75.4 | 175.2 | -8.2 | 0 | 0 | 112.4 | E36 I42 D43 E44 | E36-Q40 WeakPolarHBondContact O-CG 3.38Å; E36-Q40 PolarHBondContact O-N 3.47Å; Q40-I42 VanDerWaalsContact C-N 3.32Å; Q40-I42 PolarHBondContact O-N 2.84Å; Q40-D43 PolarHBondContact O-N 2.9Å; Q40-E44 WeakPolarHBondContact O-CG 3.39Å; Q40-E44 PolarHBondContact O-N 3.11Å |
| 41 | R | 98.5 | Very high | 98.4 | Very high | 135 Ų | 135 | 100.3 Ų | 100.3 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 177.1 | -77.6 | -173.7 | -82.1 | 176.4 | -12.1 | 112.6 | R37 D38 M39 A45 | R37-R41 WeakPolarHBondContact O-CG 3.48Å; R37-R41 PolarHBondContact O-N 3.32Å; R37-R41 PolarHBondContact O-NE 3.34Å; D38-R41 PolarHBondContact O-N 3.33Å; D38-R41 IonicContact OD1-CZ 3.72Å; D38-R41 VanDerWaalsContact OD1-CZ 3.22Å; D38-R41 IonicContact OD1-NE 2.73Å; D38-R41 IonicContact OD1-NH2 3.68Å; D38-R41 PolarHBondContact OD1-NH2 3.05Å; M39-R41 VanDerWaalsContact C-N 3.34Å; M39-R41 PolarHBondContact O-N 2.95Å; R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 2.87Å |
| 42 | I | 98.6 | Very high | 98.4 | Very high | 100 Ų | 100 | 100.1 Ų | 100.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 175.5 | -70.9 | 166.2 | 0 | 0 | 0 | 110.4 | D38 M39 Q40 E44 A45 N46 | D38-I42 WeakPolarHBondContact O-CG1 3.48Å; D38-I42 PolarHBondContact O-N 3.34Å; M39-I42 PolarHBondContact O-N 3.09Å; Q40-I42 VanDerWaalsContact C-N 3.32Å; Q40-I42 PolarHBondContact O-N 2.84Å; I42-E44 PolarHBondContact O-N 3.47Å; I42-A45 PolarHBondContact O-N 3.24Å; I42-N46 WeakPolarHBondContact O-CB 3.37Å; I42-N46 PolarHBondContact O-N 3.21Å; I42-N46 PolarHBondContact O-ND2 3.22Å |
| 43 | D | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 100.6 Ų | 100.6 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.1 | -71.6 | -25.1 | 0 | 0 | 0 | 111.9 | M39 Q40 N46 Q47 | M39-D43 PolarHBondContact O-N 3.08Å; Q40-D43 PolarHBondContact O-N 2.9Å; D43-N46 PolarHBondContact O-N 3.06Å; D43-Q47 WeakPolarHBondContact O-CG 3.41Å; D43-Q47 PolarHBondContact O-N 3.42Å |
| 44 | E | 98.3 | Very high | 98.4 | Very high | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.1 | -48.6 | 174.4 | -73.1 | 171.4 | -178.8 | 0 | 0 | 111.7 | Q40 I42 N46 Q47 E48 | Q40-E44 WeakPolarHBondContact O-CG 3.39Å; Q40-E44 PolarHBondContact O-N 3.11Å; I42-E44 PolarHBondContact O-N 3.47Å; E44-N46 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 2.95Å; E44-Q47 PolarHBondContact O-N 3.12Å; E44-E48 PolarHBondContact O-N 2.98Å |
| 45 | A | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 104.2 Ų | 104.2 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R41 I42 E48 L49 | R41-A45 WeakPolarHBondContact O-CB 3.43Å; R41-A45 PolarHBondContact O-N 2.87Å; I42-A45 PolarHBondContact O-N 3.24Å; A45-E48 PolarHBondContact O-N 3.21Å; A45-L49 WeakPolarHBondContact O-CG 3.33Å; A45-L49 PolarHBondContact O-N 2.88Å |
| 46 | N | 98.4 | Very high | 98.4 | Very high | 87 Ų | 87 | 105.2 Ų | 105.2 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -36.8 | 176.1 | -74.4 | -24.4 | 0 | 0 | 0 | 112.2 | I42 D43 E44 L50 | I42-N46 WeakPolarHBondContact O-CB 3.37Å; I42-N46 PolarHBondContact O-N 3.21Å; I42-N46 PolarHBondContact O-ND2 3.22Å; D43-N46 PolarHBondContact O-N 3.06Å; E44-N46 VanDerWaalsContact C-N 3.31Å; E44-N46 PolarHBondContact O-N 2.95Å; N46-L50 WeakPolarHBondContact O-CB 3.4Å; N46-L50 PolarHBondContact O-N 3.3Å |
| 47 | Q | 98.5 | Very high | 98.4 | Very high | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 174.5 | -73.9 | 177.1 | 11.5 | 0 | 0 | 111.7 | D43 E44 L50 L51 | D43-Q47 WeakPolarHBondContact O-CG 3.41Å; D43-Q47 PolarHBondContact O-N 3.42Å; E44-Q47 PolarHBondContact O-N 3.12Å; Q47-L50 PolarHBondContact O-N 3.36Å; Q47-L51 WeakPolarHBondContact O-CG 3.45Å; Q47-L51 PolarHBondContact O-N 3.43Å; Q47-L51 VanDerWaalsContact O-N 3.12Å |
| 48 | E | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 104.9 Ų | 104.9 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -46.3 | 176 | -172.8 | 171.9 | -162.6 | 0 | 0 | 111.5 | E44 A45 L50 L51 E52 | E44-E48 PolarHBondContact O-N 2.98Å; A45-E48 PolarHBondContact O-N 3.21Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 2.89Å; E48-L51 WeakPolarHBondContact O-CB 3.27Å; E48-L51 PolarHBondContact O-N 2.88Å; E48-E52 PolarHBondContact O-N 3.19Å |
| 49 | L | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 104.7 Ų | 104.7 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 175 | -74.9 | 172.6 | 0 | 0 | 0 | 112.6 | A45 L51 E52 I53 | A45-L49 WeakPolarHBondContact O-CG 3.33Å; A45-L49 PolarHBondContact O-N 2.88Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.32Å; L49-E52 PolarHBondContact O-N 3.27Å; L49-I53 VanDerWaalsContact O-CG1 3.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 3.43Å |
| 50 | L | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 177.6 | -169.8 | 72.3 | 0 | 0 | 0 | 111.5 | N46 Q47 E48 Q54 | N46-L50 WeakPolarHBondContact O-CB 3.4Å; N46-L50 PolarHBondContact O-N 3.3Å; Q47-L50 PolarHBondContact O-N 3.36Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 2.89Å; L50-Q54 WeakPolarHBondContact O-CG 3.33Å; L50-Q54 PolarHBondContact O-N 2.7Å; L50-Q54 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 98.4 | Very high | 98.3 | Very high | 115 Ų | 115 | 104.3 Ų | 104.3 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 175 | -68.8 | 171.5 | 0 | 0 | 0 | 111.4 | Q47 E48 L49 I53 Q54 E55 | Q47-L51 WeakPolarHBondContact O-CG 3.45Å; Q47-L51 PolarHBondContact O-N 3.43Å; Q47-L51 VanDerWaalsContact O-N 3.12Å; E48-L51 WeakPolarHBondContact O-CB 3.27Å; E48-L51 PolarHBondContact O-N 2.88Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.32Å; L51-I53 PolarHBondContact O-N 3.46Å; L51-Q54 PolarHBondContact O-N 3.44Å; L51-E55 PolarHBondContact O-N 3.1Å |
| 52 | E | 98.5 | Very high | 98.2 | Very high | 98 Ų | 98 | 104.5 Ų | 104.5 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 177.1 | -171.9 | 176.9 | -175.6 | 0 | 0 | 111.5 | E48 L49 Q54 E55 K56 | E48-E52 PolarHBondContact O-N 3.19Å; L49-E52 PolarHBondContact O-N 3.27Å; E52-Q54 VanDerWaalsContact C-N 3.33Å; E52-Q54 PolarHBondContact O-N 3.45Å; E52-E55 PolarHBondContact O-N 3.24Å; E52-K56 WeakPolarHBondContact O-CG 3.49Å; E52-K56 PolarHBondContact O-N 3.35Å |
| 53 | I | 98.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 103.3 Ų | 103.3 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 175.2 | -71.6 | 166.1 | 0 | 0 | 0 | 110.5 | L49 L51 E55 K56 E57 | L49-I53 VanDerWaalsContact O-CG1 3.26Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 3.43Å; L51-I53 PolarHBondContact O-N 3.46Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 2.88Å; I53-K56 PolarHBondContact O-N 2.95Å; I53-E57 WeakPolarHBondContact O-CB 3.45Å; I53-E57 PolarHBondContact O-N 3.01Å |
| 54 | Q | 98.3 | Very high | 97.8 | Very high | 97 Ų | 97 | 104.8 Ų | 104.8 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 178.5 | -74.7 | 179.8 | -17.6 | 0 | 0 | 112.5 | L50 L51 E52 E57 N58 | L50-Q54 WeakPolarHBondContact O-CG 3.33Å; L50-Q54 PolarHBondContact O-N 2.7Å; L50-Q54 VanDerWaalsContact O-N 3.09Å; L51-Q54 PolarHBondContact O-N 3.44Å; E52-Q54 VanDerWaalsContact C-N 3.33Å; E52-Q54 PolarHBondContact O-N 3.45Å; Q54-E57 PolarHBondContact O-N 3.48Å; Q54-N58 VanDerWaalsContact O-CG 3.23Å; Q54-N58 PolarHBondContact O-N 3.46Å; Q54-N58 PolarHBondContact O-ND2 3.26Å; Q54-N58 VanDerWaalsContact O-ND2 3.09Å |
| 55 | E | 98.3 | Very high | 97.6 | Very high | 139 Ų | 139 | 104.1 Ų | 104.1 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -45.7 | 175.5 | -172.1 | 178 | -176.9 | 0 | 0 | 111.3 | L51 E52 I53 E57 N58 E59 | L51-E55 PolarHBondContact O-N 3.1Å; E52-E55 PolarHBondContact O-N 3.24Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 2.88Å; E55-E57 VanDerWaalsContact C-N 3.34Å; E55-E57 PolarHBondContact O-N 3.14Å; E55-N58 PolarHBondContact O-N 2.88Å; E55-E59 PolarHBondContact O-N 3.35Å |
| 56 | K | 98.5 | Very high | 97.2 | Very high | 121 Ų | 121 | 106.8 Ų | 106.8 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.3 | -65.7 | -61.9 | -179.8 | -169.2 | 0 | 112.6 | E52 I53 E59 I60 | E52-K56 WeakPolarHBondContact O-CG 3.49Å; E52-K56 PolarHBondContact O-N 3.35Å; I53-K56 PolarHBondContact O-N 2.95Å; K56-E59 WeakPolarHBondContact O-CB 3.42Å; K56-E59 PolarHBondContact O-N 3.44Å; K56-I60 VanDerWaalsContact O-CG1 3.27Å; K56-I60 WeakPolarHBondContact O-CG1 3.39Å; K56-I60 PolarHBondContact O-N 3.32Å |
| 57 | E | 98.3 | Very high | 96.6 | Very high | 109 Ų | 109 | 108.1 Ų | 108.1 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.7 | -168.1 | 161 | -160.2 | 0 | 0 | 111.5 | I53 Q54 E55 E59 I60 Q61 | I53-E57 WeakPolarHBondContact O-CB 3.45Å; I53-E57 PolarHBondContact O-N 3.01Å; Q54-E57 PolarHBondContact O-N 3.48Å; E55-E57 VanDerWaalsContact C-N 3.34Å; E55-E57 PolarHBondContact O-N 3.14Å; E57-E59 VanDerWaalsContact C-N 3.35Å; E57-E59 PolarHBondContact O-N 3.43Å; E57-I60 PolarHBondContact O-N 3.08Å; E57-Q61 WeakPolarHBondContact O-CG 3.47Å; E57-Q61 PolarHBondContact O-N 3.15Å |
| 58 | N | 98.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 173 | -68.8 | -33.1 | 0 | 0 | 0 | 112.4 | Q54 E55 Q61 R62 | Q54-N58 VanDerWaalsContact O-CG 3.23Å; Q54-N58 PolarHBondContact O-N 3.46Å; Q54-N58 PolarHBondContact O-ND2 3.26Å; Q54-N58 VanDerWaalsContact O-ND2 3.09Å; E55-N58 PolarHBondContact O-N 2.88Å; N58-Q61 PolarHBondContact O-N 3.47Å; N58-R62 PolarHBondContact O-N 2.86Å |
| 59 | E | 98.1 | Very high | 95 | Very high | 70 Ų | 70 | 106.9 Ų | 106.9 | 33% | 0.327 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.4 | -179.5 | 66.5 | -159.6 | 0 | 0 | 111.2 | E55 K56 E57 Q61 R62 L63 | E55-E59 PolarHBondContact O-N 3.35Å; K56-E59 WeakPolarHBondContact O-CB 3.42Å; K56-E59 PolarHBondContact O-N 3.44Å; E57-E59 VanDerWaalsContact C-N 3.35Å; E57-E59 PolarHBondContact O-N 3.43Å; E59-Q61 PolarHBondContact O-N 2.91Å; E59-R62 PolarHBondContact O-N 3Å; E59-R62 IonicContact OE1-CZ 2.88Å; E59-R62 IonicContact OE1-NH1 2.79Å; E59-R62 IonicContact OE1-NH2 3.78Å; E59-R62 PolarHBondContact OE1-NH2 2.85Å; E59-R62 IonicContact OE2-CZ 2.85Å; E59-R62 IonicContact OE2-NH1 3.61Å; E59-R62 PolarHBondContact OE2-NH1 3.2Å; E59-R62 IonicContact OE2-NH2 3.26Å; E59-R62 PolarHBondContact OE2-NH2 3.25Å; E59-L63 HydrophobicContact CG-CD1 4.21Å; E59-L63 WeakPolarHBondContact O-CG 3.44Å; E59-L63 PolarHBondContact O-N 3.25Å |
| 60 | I | 97.4 | Very high | 93.9 | Very high | 92 Ų | 92 | 107 Ų | 107 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 177.1 | -71.6 | 164.3 | 0 | 0 | 0 | 110.1 | K56 E57 R62 L63 E64 | K56-I60 VanDerWaalsContact O-CG1 3.27Å; K56-I60 WeakPolarHBondContact O-CG1 3.39Å; K56-I60 PolarHBondContact O-N 3.32Å; E57-I60 PolarHBondContact O-N 3.08Å; I60-R62 VanDerWaalsContact C-N 3.26Å; I60-R62 PolarHBondContact O-N 2.93Å; I60-L63 PolarHBondContact O-N 3.22Å; I60-L63 VanDerWaalsContact O-N 3.11Å; I60-E64 HydrophobicContact CG2-CG 4.18Å; I60-E64 WeakPolarHBondContact O-CB 3.35Å; I60-E64 WeakPolarHBondContact O-CG 3.48Å; I60-E64 PolarHBondContact O-N 2.9Å |
| 61 | Q | 97.3 | Very high | 92.6 | Very high | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 179.3 | -73.5 | 178.7 | 6.7 | 0 | 0 | 112.6 | E57 N58 E59 H65 | E57-Q61 WeakPolarHBondContact O-CG 3.47Å; E57-Q61 PolarHBondContact O-N 3.15Å; N58-Q61 PolarHBondContact O-N 3.47Å; E59-Q61 PolarHBondContact O-N 2.91Å; Q61-H65 WeakPolarHBondContact O-CB 3.43Å; Q61-H65 PolarHBondContact O-N 3.37Å |
| 62 | R | 97.6 | Very high | 91.2 | Very high | 139 Ų | 139 | 101.9 Ų | 101.9 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 175.9 | -169 | -176.7 | 72.1 | -119.7 | 2.8 | 111.4 | N58 E59 I60 H65 E66 | N58-R62 PolarHBondContact O-N 2.86Å; E59-R62 PolarHBondContact O-N 3Å; E59-R62 IonicContact OE1-CZ 2.88Å; E59-R62 IonicContact OE1-NH1 2.79Å; E59-R62 IonicContact OE1-NH2 3.78Å; E59-R62 PolarHBondContact OE1-NH2 2.85Å; E59-R62 IonicContact OE2-CZ 2.85Å; E59-R62 IonicContact OE2-NH1 3.61Å; E59-R62 PolarHBondContact OE2-NH1 3.2Å; E59-R62 IonicContact OE2-NH2 3.26Å; E59-R62 PolarHBondContact OE2-NH2 3.25Å; I60-R62 VanDerWaalsContact C-N 3.26Å; I60-R62 PolarHBondContact O-N 2.93Å; R62-H65 WeakPolarHBondContact O-CB 3.39Å; R62-H65 PolarHBondContact O-N 3.49Å; R62-E66 PolarHBondContact O-N 3.3Å |
| 63 | L | 95.3 | Very high | 89.9 | Confident | 76 Ų | 76 | 102 Ų | 102 | 40% | 0.398 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 178.2 | -68.9 | 172.2 | 0 | 0 | 0 | 111.8 | E59 I60 H65 E66 I67 | E59-L63 HydrophobicContact CG-CD1 4.21Å; E59-L63 WeakPolarHBondContact O-CG 3.44Å; E59-L63 PolarHBondContact O-N 3.25Å; I60-L63 PolarHBondContact O-N 3.22Å; I60-L63 VanDerWaalsContact O-N 3.11Å; L63-H65 VanDerWaalsContact C-N 3.32Å; L63-H65 PolarHBondContact O-N 2.92Å; L63-E66 PolarHBondContact O-N 3.47Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 3.09Å |
| 64 | E | 93.1 | Very high | 88.7 | Confident | 113 Ų | 113 | 99.7 Ų | 99.7 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 173.2 | -72.8 | 176.7 | 158 | 0 | 0 | 111.4 | I60 I67 T68 | I60-E64 HydrophobicContact CG2-CG 4.18Å; I60-E64 WeakPolarHBondContact O-CB 3.35Å; I60-E64 WeakPolarHBondContact O-CG 3.48Å; I60-E64 PolarHBondContact O-N 2.9Å; E64-I67 PolarHBondContact O-N 2.62Å; E64-T68 WeakPolarHBondContact O-CB 3.49Å; E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.18Å; E64-T68 PolarHBondContact O-OG1 3.01Å |
| 65 | H | 92.6 | Very high | 87.7 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 173.3 | -177 | -68.1 | 0 | 0 | 0 | 111.4 | Q61 R62 L63 T68 Q69 | Q61-H65 WeakPolarHBondContact O-CB 3.43Å; Q61-H65 PolarHBondContact O-N 3.37Å; R62-H65 WeakPolarHBondContact O-CB 3.39Å; R62-H65 PolarHBondContact O-N 3.49Å; L63-H65 VanDerWaalsContact C-N 3.32Å; L63-H65 PolarHBondContact O-N 2.92Å; H65-T68 WeakPolarHBondContact CA-OG1 3.26Å; H65-T68 PolarHBondContact O-N 3.44Å; H65-T68 PolarHBondContact O-OG1 3.47Å; H65-Q69 PolarHBondContact CE1-OE1 3.46Å; H65-Q69 WeakPolarHBondContact O-CB 3.36Å; H65-Q69 PolarHBondContact O-N 2.98Å |
| 66 | E | 91.2 | Very high | 86.7 | Confident | 100 Ų | 100 | 98.7 Ų | 98.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 177.4 | -170.3 | 172 | 171.7 | 0 | 0 | 111 | R62 L63 T68 Q69 T70 | R62-E66 PolarHBondContact O-N 3.3Å; L63-E66 PolarHBondContact O-N 3.47Å; E66-T68 VanDerWaalsContact C-N 3.35Å; E66-T68 PolarHBondContact O-N 2.93Å; E66-Q69 CarbonylContact O-C 3.51Å; E66-Q69 PolarHBondContact O-N 3.24Å; E66-Q69 VanDerWaalsContact O-N 3.09Å; E66-T70 HydrophobicContact CG-CG2 4.22Å; E66-T70 WeakPolarHBondContact O-CB 3.45Å; E66-T70 WeakPolarHBondContact O-CG2 3.49Å; E66-T70 PolarHBondContact O-N 3.38Å; E66-T70 PolarHBondContact O-OG1 2.92Å |
| 67 | I | 86.1 | Confident | 85.9 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 59% | 0.59 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 177.1 | -69.3 | 165.6 | 0 | 0 | 0 | 111.3 | L63 E64 Q69 T70 G71 | L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 3.09Å; E64-I67 PolarHBondContact O-N 2.62Å; I67-Q69 VanDerWaalsContact C-N 3.28Å; I67-Q69 PolarHBondContact O-N 2.88Å; I67-T70 PolarHBondContact O-OG1 2.94Å; I67-G71 WeakPolarHBondContact O-CA 3.28Å; I67-G71 PolarHBondContact O-N 3.26Å |
| 68 | T | 83.1 | Confident | 85.2 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.3 | -26.7 | 178.2 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | E64 H65 E66 | E64-T68 WeakPolarHBondContact O-CB 3.49Å; E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.18Å; E64-T68 PolarHBondContact O-OG1 3.01Å; H65-T68 WeakPolarHBondContact CA-OG1 3.26Å; H65-T68 PolarHBondContact O-N 3.44Å; H65-T68 PolarHBondContact O-OG1 3.47Å; E66-T68 VanDerWaalsContact C-N 3.35Å; E66-T68 PolarHBondContact O-N 2.93Å |
| 69 | Q | 79.4 | Confident | 84.5 | Confident | 144 Ų | 144 | 104.7 Ų | 104.7 | 67% | 0.673 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -82.5 | -36.4 | 176.5 | -172.7 | 174.2 | 27.1 | 0 | 0 | 112.8 | H65 E66 I67 | H65-Q69 PolarHBondContact CE1-OE1 3.46Å; H65-Q69 WeakPolarHBondContact O-CB 3.36Å; H65-Q69 PolarHBondContact O-N 2.98Å; E66-Q69 CarbonylContact O-C 3.51Å; E66-Q69 PolarHBondContact O-N 3.24Å; E66-Q69 VanDerWaalsContact O-N 3.09Å; I67-Q69 VanDerWaalsContact C-N 3.28Å; I67-Q69 PolarHBondContact O-N 2.88Å |
| 70 | T | 75.4 | Confident | 84 | Confident | 93 Ų | 93 | 108.3 Ų | 108.3 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -85.6 | -19.9 | 177.5 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | E66 I67 N72 | E66-T70 HydrophobicContact CG-CG2 4.22Å; E66-T70 WeakPolarHBondContact O-CB 3.45Å; E66-T70 WeakPolarHBondContact O-CG2 3.49Å; E66-T70 PolarHBondContact O-N 3.38Å; E66-T70 PolarHBondContact O-OG1 2.92Å; I67-T70 PolarHBondContact O-OG1 2.94Å; T70-N72 PolarHBondContact O-N 3.44Å |
| 71 | G | 70.6 | Confident | 83.6 | Confident | 39 Ų | 39 | 111 Ų | 111 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | trans | -64.3 | 85.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I67 P73 | I67-G71 WeakPolarHBondContact O-CA 3.28Å; I67-G71 PolarHBondContact O-N 3.26Å; G71-P73 WeakPolarHBondContact O-CD 3.39Å | ||
| 72 | N | 70.6 | Confident | 83.3 | Confident | 69 Ų | 69 | 111.2 Ų | 111.2 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | trans | -76.5 | 108.1 | 175.8 | -176 | 2.5 | 0 | 0 | 0 | 107.1 | T70 A74 E75 D76 | T70-N72 PolarHBondContact O-N 3.44Å; N72-A74 PolarHBondContact O-N 3.29Å; N72-A74 WeakPolarHBondContact OD1-CB 3.48Å; N72-A74 PolarHBondContact OD1-N 3.25Å; N72-E75 HydrophobicContact CB-CB 4.23Å; N72-E75 HydrophobicContact CB-CG 4.14Å; N72-E75 PolarHBondContact ND2-OE1 3.28Å; N72-E75 PolarHBondContact O-N 2.91Å; N72-D76 PolarHBondContact O-N 3.36Å | ||
| 73 | P | 70.3 | Confident | 83.1 | Confident | 100 Ų | 100 | 109.9 Ų | 109.9 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.1 | -22.1 | -177.6 | 24.8 | -34.3 | 0 | 0 | 0 | 112.2 | G71 E77 | G71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-E77 WeakPolarHBondContact O-CB 3.43Å; P73-E77 PolarHBondContact O-N 2.93Å; P73-E77 VanDerWaalsContact O-N 3.08Å |
| 74 | A | 73.1 | Confident | 83.1 | Confident | 54 Ų | 54 | 112.5 Ų | 112.5 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.7 | -32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N72 E78 | N72-A74 PolarHBondContact O-N 3.29Å; N72-A74 WeakPolarHBondContact OD1-CB 3.48Å; N72-A74 PolarHBondContact OD1-N 3.25Å; A74-E78 VanDerWaalsContact O-CB 3.29Å; A74-E78 WeakPolarHBondContact O-CB 3.07Å; A74-E78 PolarHBondContact O-N 3.28Å |
| 75 | E | 76.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.6 | -38.7 | 177 | -77.4 | 171.1 | -146.6 | 0 | 0 | 111.2 | N72 E78 W79 | N72-E75 HydrophobicContact CB-CB 4.23Å; N72-E75 HydrophobicContact CB-CG 4.14Å; N72-E75 PolarHBondContact ND2-OE1 3.28Å; N72-E75 PolarHBondContact O-N 2.91Å; E75-E78 PolarHBondContact O-N 3.35Å; E75-W79 WeakPolarHBondContact O-CB 3.32Å; E75-W79 PolarHBondContact O-N 2.95Å |
| 76 | D | 78.6 | Confident | 83.4 | Confident | 106 Ų | 106 | 107.5 Ų | 107.5 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 174.4 | -77.6 | -11.6 | 0 | 0 | 0 | 111.4 | N72 E78 W79 E80 | N72-D76 PolarHBondContact O-N 3.36Å; D76-E78 VanDerWaalsContact C-N 3.33Å; D76-E78 PolarHBondContact O-N 3.49Å; D76-W79 PolarHBondContact O-N 3.34Å; D76-E80 WeakPolarHBondContact O-CG 3.5Å; D76-E80 PolarHBondContact O-N 2.99Å |
| 77 | E | 80.3 | Confident | 83.6 | Confident | 140 Ų | 140 | 108 Ų | 108 | 65% | 0.654 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.4 | -35.8 | 176 | -170.9 | 175.1 | -167.3 | 0 | 0 | 112.1 | P73 K81 | P73-E77 WeakPolarHBondContact O-CB 3.43Å; P73-E77 PolarHBondContact O-N 2.93Å; P73-E77 VanDerWaalsContact O-N 3.08Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.48Å |
| 78 | E | 84.3 | Confident | 84.2 | Confident | 134 Ų | 134 | 107 Ų | 107 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -41.5 | 175.2 | -170.9 | 163.8 | -150.2 | 0 | 0 | 111.7 | A74 E75 D76 K81 E82 | A74-E78 VanDerWaalsContact O-CB 3.29Å; A74-E78 WeakPolarHBondContact O-CB 3.07Å; A74-E78 PolarHBondContact O-N 3.28Å; E75-E78 PolarHBondContact O-N 3.35Å; D76-E78 VanDerWaalsContact C-N 3.33Å; D76-E78 PolarHBondContact O-N 3.49Å; E78-K81 PolarHBondContact O-N 3.3Å; E78-E82 WeakPolarHBondContact O-CB 3.41Å; E78-E82 PolarHBondContact O-N 2.94Å |
| 79 | W | 83 | Confident | 84.8 | Confident | 181 Ų | 181 | 110.5 Ų | 110.5 | 69% | 0.686 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 173 | -98.4 | 104.1 | 0 | 0 | 0 | 112.7 | E75 D76 K81 E82 N83 | E75-W79 WeakPolarHBondContact O-CB 3.32Å; E75-W79 PolarHBondContact O-N 2.95Å; D76-W79 PolarHBondContact O-N 3.34Å; W79-K81 VanDerWaalsContact C-N 3.32Å; W79-K81 PolarHBondContact O-N 2.9Å; W79-E82 PolarHBondContact O-N 3.32Å; W79-N83 VanDerWaalsContact O-CB 3.29Å; W79-N83 WeakPolarHBondContact O-CB 3.43Å; W79-N83 PolarHBondContact O-N 3.34Å |
| 80 | E | 87.5 | Confident | 85.7 | Confident | 146 Ų | 146 | 110 Ų | 110 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 176.7 | -76.2 | -172.9 | 172.7 | 0 | 0 | 111.6 | D76 N83 Y84 | D76-E80 WeakPolarHBondContact O-CG 3.5Å; D76-E80 PolarHBondContact O-N 2.99Å; E80-N83 PolarHBondContact O-N 2.91Å; E80-Y84 PolarHBondContact O-N 3.3Å |
| 81 | K | 90.1 | Very high | 86.8 | Confident | 149 Ų | 149 | 111 Ų | 111 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.5 | -44.5 | 177.4 | -172.3 | -178.1 | 179.6 | -173.5 | 0 | 111.6 | E77 E78 W79 N83 Y84 T85 | E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.48Å; E78-K81 PolarHBondContact O-N 3.3Å; W79-K81 VanDerWaalsContact C-N 3.32Å; W79-K81 PolarHBondContact O-N 2.9Å; K81-N83 VanDerWaalsContact C-N 3.34Å; K81-Y84 PolarHBondContact O-N 3.46Å; K81-T85 VanDerWaalsContact O-CG2 3.32Å; K81-T85 WeakPolarHBondContact O-CG2 3.32Å; K81-T85 PolarHBondContact O-N 3.01Å |
| 82 | E | 90.7 | Very high | 88.1 | Confident | 112 Ų | 112 | 111.8 Ų | 111.8 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 176.4 | -172.2 | 168.4 | -161 | 0 | 0 | 110.3 | E78 W79 Y84 T85 V86 | E78-E82 WeakPolarHBondContact O-CB 3.41Å; E78-E82 PolarHBondContact O-N 2.94Å; W79-E82 PolarHBondContact O-N 3.32Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 2.98Å; E82-T85 PolarHBondContact O-N 2.94Å; E82-T85 VanDerWaalsContact O-N 3.08Å; E82-T85 PolarHBondContact O-OG1 3.37Å; E82-V86 WeakPolarHBondContact O-CG2 3.45Å; E82-V86 PolarHBondContact O-N 3.5Å |
| 83 | N | 94 | Very high | 89.4 | Confident | 110 Ų | 110 | 113.1 Ų | 113.1 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.2 | -41.7 | 177.3 | -168.5 | 42.4 | 0 | 0 | 0 | 112.6 | W79 E80 K81 V86 M87 | W79-N83 VanDerWaalsContact O-CB 3.29Å; W79-N83 WeakPolarHBondContact O-CB 3.43Å; W79-N83 PolarHBondContact O-N 3.34Å; E80-N83 PolarHBondContact O-N 2.91Å; K81-N83 VanDerWaalsContact C-N 3.34Å; N83-V86 PolarHBondContact O-N 3.19Å; N83-M87 PolarHBondContact O-N 3.18Å |
| 84 | Y | 94.8 | Very high | 90.7 | Very high | 132 Ų | 132 | 113.5 Ų | 113.5 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 173.6 | -175.7 | -98.4 | 0 | 0 | 0 | 111.9 | E80 K81 E82 V86 M87 E88 | E80-Y84 PolarHBondContact O-N 3.3Å; K81-Y84 PolarHBondContact O-N 3.46Å; E82-Y84 VanDerWaalsContact C-N 3.33Å; E82-Y84 PolarHBondContact O-N 2.98Å; Y84-V86 VanDerWaalsContact C-N 3.29Å; Y84-V86 PolarHBondContact O-N 3.48Å; Y84-M87 HydrophobicContact CD2-CE 3.75Å; Y84-M87 HydrophobicContact CE2-CE 4Å; Y84-M87 PolarHBondContact O-N 3.37Å; Y84-E88 HydrophobicContact CD1-CG 4.22Å; Y84-E88 HydrophobicContact CE1-CG 3.83Å; Y84-E88 WeakPolarHBondContact CE1-OE1 3.46Å; Y84-E88 PolarHBondContact O-N 3Å; Y84-E88 PolarHBondContact OH-OE1 2.98Å |
| 85 | T | 95 | Very high | 91.9 | Very high | 46 Ų | 46 | 116 Ų | 116 | 28% | 0.282 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -30.9 | 178.8 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | K81 E82 R89 | K81-T85 VanDerWaalsContact O-CG2 3.32Å; K81-T85 WeakPolarHBondContact O-CG2 3.32Å; K81-T85 PolarHBondContact O-N 3.01Å; E82-T85 PolarHBondContact O-N 2.94Å; E82-T85 VanDerWaalsContact O-N 3.08Å; E82-T85 PolarHBondContact O-OG1 3.37Å; T85-R89 WeakPolarHBondContact O-CG 3.32Å; T85-R89 PolarHBondContact O-N 3.02Å; T85-R89 VanDerWaalsContact O-N 3.15Å |
| 86 | V | 96.9 | Very high | 92.9 | Very high | 73 Ų | 73 | 116.3 Ų | 116.3 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.4 | -46.4 | 174 | 169.8 | 0 | 0 | 0 | 0 | 109.7 | E82 N83 Y84 E88 R89 E90 | E82-V86 WeakPolarHBondContact O-CG2 3.45Å; E82-V86 PolarHBondContact O-N 3.5Å; N83-V86 PolarHBondContact O-N 3.19Å; Y84-V86 VanDerWaalsContact C-N 3.29Å; Y84-V86 PolarHBondContact O-N 3.48Å; V86-E88 PolarHBondContact O-N 3.46Å; V86-R89 PolarHBondContact O-N 3.12Å; V86-E90 PolarHBondContact O-N 3.01Å |
| 87 | M | 96.1 | Very high | 93.9 | Very high | 110 Ų | 110 | 116.9 Ų | 116.9 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.9 | -43.4 | 177.5 | -174.9 | 179.2 | 60.7 | 0 | 0 | 112.5 | N83 Y84 R89 E90 Q91 | N83-M87 PolarHBondContact O-N 3.18Å; Y84-M87 HydrophobicContact CD2-CE 3.75Å; Y84-M87 HydrophobicContact CE2-CE 4Å; Y84-M87 PolarHBondContact O-N 3.37Å; M87-R89 VanDerWaalsContact C-N 3.34Å; M87-R89 PolarHBondContact O-N 3.06Å; M87-E90 PolarHBondContact O-N 3.19Å; M87-Q91 PolarHBondContact O-N 3.34Å |
| 88 | E | 97 | Very high | 94.7 | Very high | 96 Ų | 96 | 115.9 Ų | 115.9 | 45% | 0.449 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 175 | -74.2 | -170.7 | 142 | 0 | 0 | 112.2 | Y84 V86 Q91 A92 | Y84-E88 HydrophobicContact CD1-CG 4.22Å; Y84-E88 HydrophobicContact CE1-CG 3.83Å; Y84-E88 WeakPolarHBondContact CE1-OE1 3.46Å; Y84-E88 PolarHBondContact O-N 3Å; Y84-E88 PolarHBondContact OH-OE1 2.98Å; V86-E88 PolarHBondContact O-N 3.46Å; E88-Q91 PolarHBondContact O-N 3.38Å; E88-A92 WeakPolarHBondContact O-CB 3.44Å; E88-A92 PolarHBondContact O-N 3.33Å |
| 89 | R | 97.4 | Very high | 95.4 | Very high | 178 Ų | 178 | 113.2 Ų | 113.2 | 67% | 0.672 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 176.8 | -83.3 | -171.4 | 172.1 | 96.7 | -1.7 | 112.2 | T85 V86 M87 A92 L93 | T85-R89 WeakPolarHBondContact O-CG 3.32Å; T85-R89 PolarHBondContact O-N 3.02Å; T85-R89 VanDerWaalsContact O-N 3.15Å; V86-R89 PolarHBondContact O-N 3.12Å; M87-R89 VanDerWaalsContact C-N 3.34Å; M87-R89 PolarHBondContact O-N 3.06Å; R89-A92 PolarHBondContact O-N 3.23Å; R89-L93 WeakPolarHBondContact O-CB 3.3Å; R89-L93 PolarHBondContact O-N 2.9Å |
| 90 | E | 97.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 108.1 Ų | 108.1 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 179.1 | -173.3 | 144.6 | -151.2 | 0 | 0 | 111.2 | V86 M87 L93 Q94 | V86-E90 PolarHBondContact O-N 3.01Å; M87-E90 PolarHBondContact O-N 3.19Å; E90-L93 PolarHBondContact O-N 3.15Å; E90-Q94 PolarHBondContact O-N 3Å |
| 91 | Q | 98.1 | Very high | 96.6 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 173 | -173.2 | -178 | -24.3 | 0 | 0 | 111.9 | M87 E88 L93 Q94 E95 | M87-Q91 PolarHBondContact O-N 3.34Å; E88-Q91 PolarHBondContact O-N 3.38Å; Q91-L93 VanDerWaalsContact C-N 3.26Å; Q91-L93 PolarHBondContact O-N 2.95Å; Q91-Q94 PolarHBondContact O-N 3.08Å; Q91-E95 PolarHBondContact NE2-OE1 2.71Å; Q91-E95 WeakPolarHBondContact O-CG 3.34Å; Q91-E95 PolarHBondContact O-N 3.35Å |
| 92 | A | 97.9 | Very high | 97 | Very high | 56 Ų | 56 | 101.1 Ų | 101.1 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E88 R89 L96 | E88-A92 WeakPolarHBondContact O-CB 3.44Å; E88-A92 PolarHBondContact O-N 3.33Å; R89-A92 PolarHBondContact O-N 3.23Å; A92-L96 WeakPolarHBondContact O-CB 3.44Å; A92-L96 PolarHBondContact O-N 3.45Å; A92-L96 VanDerWaalsContact O-N 3.09Å |
| 93 | L | 98.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 100.7 Ų | 100.7 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 175.7 | -171.2 | 147.5 | 0 | 0 | 0 | 110.9 | R89 E90 Q91 E95 L96 E97 | R89-L93 WeakPolarHBondContact O-CB 3.3Å; R89-L93 PolarHBondContact O-N 2.9Å; E90-L93 PolarHBondContact O-N 3.15Å; Q91-L93 VanDerWaalsContact C-N 3.26Å; Q91-L93 PolarHBondContact O-N 2.95Å; L93-E95 PolarHBondContact O-N 3.37Å; L93-L96 PolarHBondContact O-N 3.2Å; L93-E97 HydrophobicContact CD2-CG 4.08Å; L93-E97 VanDerWaalsContact CD2-OE1 3.32Å; L93-E97 WeakPolarHBondContact CD2-OE1 3.41Å; L93-E97 WeakPolarHBondContact O-CG 3.45Å; L93-E97 PolarHBondContact O-N 3.39Å |
| 94 | Q | 98.3 | Very high | 97.6 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 175.7 | -173.5 | -178.4 | -18.4 | 0 | 0 | 111.8 | E90 Q91 L96 E97 E98 | E90-Q94 PolarHBondContact O-N 3Å; Q91-Q94 PolarHBondContact O-N 3.08Å; Q94-L96 VanDerWaalsContact C-N 3.29Å; Q94-L96 PolarHBondContact O-N 3.25Å; Q94-E97 PolarHBondContact O-N 3.03Å; Q94-E98 PolarHBondContact NE2-OE1 2.97Å; Q94-E98 WeakPolarHBondContact O-CG 3.43Å; Q94-E98 PolarHBondContact O-N 3.29Å |
| 95 | E | 98.3 | Very high | 97.8 | Very high | 106 Ų | 106 | 102.1 Ų | 102.1 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 176 | -72 | 176.2 | -164.6 | 0 | 0 | 111.8 | Q91 L93 E98 E99 | Q91-E95 PolarHBondContact NE2-OE1 2.71Å; Q91-E95 WeakPolarHBondContact O-CG 3.34Å; Q91-E95 PolarHBondContact O-N 3.35Å; L93-E95 PolarHBondContact O-N 3.37Å; E95-E98 PolarHBondContact O-N 3.09Å; E95-E99 WeakPolarHBondContact O-CB 3.36Å; E95-E99 PolarHBondContact O-N 2.94Å |
| 96 | L | 98.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -37.7 | 177.5 | -172 | 133.6 | 0 | 0 | 0 | 112.4 | A92 L93 Q94 T100 | A92-L96 WeakPolarHBondContact O-CB 3.44Å; A92-L96 PolarHBondContact O-N 3.45Å; A92-L96 VanDerWaalsContact O-N 3.09Å; L93-L96 PolarHBondContact O-N 3.2Å; Q94-L96 VanDerWaalsContact C-N 3.29Å; Q94-L96 PolarHBondContact O-N 3.25Å; L96-T100 VanDerWaalsContact O-CB 3.28Å; L96-T100 WeakPolarHBondContact O-CB 3.41Å; L96-T100 PolarHBondContact O-N 2.92Å; L96-T100 PolarHBondContact O-OG1 2.84Å |
| 97 | E | 98.1 | Very high | 98 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 173.7 | -74.9 | -176 | 168.3 | 0 | 0 | 111.7 | L93 Q94 E99 T100 A101 | L93-E97 HydrophobicContact CD2-CG 4.08Å; L93-E97 VanDerWaalsContact CD2-OE1 3.32Å; L93-E97 WeakPolarHBondContact CD2-OE1 3.41Å; L93-E97 WeakPolarHBondContact O-CG 3.45Å; L93-E97 PolarHBondContact O-N 3.39Å; Q94-E97 PolarHBondContact O-N 3.03Å; E97-E99 PolarHBondContact O-N 3.42Å; E97-T100 PolarHBondContact O-N 3.02Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 3.47Å |
| 98 | E | 98.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 177.1 | -72.7 | -179.2 | -166.4 | 0 | 0 | 111.9 | Q94 E95 A101 R102 | Q94-E98 PolarHBondContact NE2-OE1 2.97Å; Q94-E98 WeakPolarHBondContact O-CG 3.43Å; Q94-E98 PolarHBondContact O-N 3.29Å; E95-E98 PolarHBondContact O-N 3.09Å; E98-A101 PolarHBondContact O-N 3.33Å; E98-R102 WeakPolarHBondContact O-CB 3.47Å; E98-R102 PolarHBondContact O-N 3.33Å |
| 99 | E | 98.2 | Very high | 98.2 | Very high | 78 Ų | 78 | 107.2 Ų | 107.2 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 175.6 | -82.8 | -59.8 | 153 | 0 | 0 | 112.6 | E95 E97 R102 L103 | E95-E99 WeakPolarHBondContact O-CB 3.36Å; E95-E99 PolarHBondContact O-N 2.94Å; E97-E99 PolarHBondContact O-N 3.42Å; E99-R102 WeakPolarHBondContact O-CB 3.25Å; E99-R102 PolarHBondContact O-N 3.03Å; E99-R102 IonicContact OE1-CZ 2.76Å; E99-R102 IonicContact OE1-NE 2.85Å; E99-R102 PolarHBondContact OE1-NE 2.93Å; E99-R102 IonicContact OE1-NH1 3.56Å; E99-R102 PolarHBondContact OE1-NH1 3.48Å; E99-R102 IonicContact OE1-NH2 2.57Å; E99-R102 PolarHBondContact OE1-NH2 3.38Å; E99-R102 IonicContact OE2-CZ 3.94Å; E99-R102 IonicContact OE2-NE 3.58Å; E99-R102 PolarHBondContact OE2-NE 2.97Å; E99-R102 IonicContact OE2-NH2 3.8Å; E99-R102 PolarHBondContact OE2-NH2 3.43Å; E99-L103 WeakPolarHBondContact O-CG 3.36Å; E99-L103 PolarHBondContact O-N 3Å |
| 100 | T | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 103.8 Ų | 103.8 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | L96 E97 R102 L103 E104 | L96-T100 VanDerWaalsContact O-CB 3.28Å; L96-T100 WeakPolarHBondContact O-CB 3.41Å; L96-T100 PolarHBondContact O-N 2.92Å; L96-T100 PolarHBondContact O-OG1 2.84Å; E97-T100 PolarHBondContact O-N 3.02Å; T100-R102 VanDerWaalsContact C-N 3.27Å; T100-R102 PolarHBondContact O-N 3.4Å; T100-L103 PolarHBondContact O-N 3.33Å; T100-E104 WeakPolarHBondContact O-CB 3.47Å; T100-E104 PolarHBondContact O-N 3.3Å |
| 101 | A | 98.6 | Very high | 98.3 | Very high | 31 Ų | 31 | 101.3 Ų | 101.3 | 26% | 0.256 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -35 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E97 E98 R105 | E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 3.47Å; E98-A101 PolarHBondContact O-N 3.33Å; A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 3.46Å; A101-R105 PolarHBondContact O-NH1 3.06Å |
| 102 | R | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 175.3 | -171.4 | 179.1 | 74.2 | 161.9 | 3.1 | 111.8 | E98 E99 T100 K106 | E98-R102 WeakPolarHBondContact O-CB 3.47Å; E98-R102 PolarHBondContact O-N 3.33Å; E99-R102 WeakPolarHBondContact O-CB 3.25Å; E99-R102 PolarHBondContact O-N 3.03Å; E99-R102 IonicContact OE1-CZ 2.76Å; E99-R102 IonicContact OE1-NE 2.85Å; E99-R102 PolarHBondContact OE1-NE 2.93Å; E99-R102 IonicContact OE1-NH1 3.56Å; E99-R102 PolarHBondContact OE1-NH1 3.48Å; E99-R102 IonicContact OE1-NH2 2.57Å; E99-R102 PolarHBondContact OE1-NH2 3.38Å; E99-R102 IonicContact OE2-CZ 3.94Å; E99-R102 IonicContact OE2-NE 3.58Å; E99-R102 PolarHBondContact OE2-NE 2.97Å; E99-R102 IonicContact OE2-NH2 3.8Å; E99-R102 PolarHBondContact OE2-NH2 3.43Å; T100-R102 VanDerWaalsContact C-N 3.27Å; T100-R102 PolarHBondContact O-N 3.4Å; R102-K106 WeakPolarHBondContact O-CG 3.5Å; R102-K106 PolarHBondContact O-N 3.27Å |
| 103 | L | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.1 | -73.2 | 173.6 | 0 | 0 | 0 | 111.7 | E99 T100 K106 N107 | E99-L103 WeakPolarHBondContact O-CG 3.36Å; E99-L103 PolarHBondContact O-N 3Å; T100-L103 PolarHBondContact O-N 3.33Å; L103-K106 WeakPolarHBondContact O-CB 3.44Å; L103-K106 PolarHBondContact O-N 3.46Å; L103-N107 WeakPolarHBondContact O-CB 3.49Å; L103-N107 PolarHBondContact O-N 3.28Å |
| 104 | E | 98.3 | Very high | 98.3 | Very high | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -48 | 177.6 | -166.8 | 162.2 | -144.2 | 0 | 0 | 111.5 | T100 K106 N107 E108 | T100-E104 WeakPolarHBondContact O-CB 3.47Å; T100-E104 PolarHBondContact O-N 3.3Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 3.28Å; E104-N107 WeakPolarHBondContact O-CA 3.41Å; E104-N107 WeakPolarHBondContact O-CB 3.43Å; E104-N107 PolarHBondContact O-N 3.01Å; E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 3.07Å |
| 105 | R | 98.4 | Very high | 98.2 | Very high | 151 Ų | 151 | 98.8 Ų | 98.8 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.8 | -40.2 | 174.1 | -66.7 | 180 | -155.5 | 100.7 | -9.1 | 113.1 | A101 N107 T109 | A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 3.46Å; A101-R105 PolarHBondContact O-NH1 3.06Å; R105-N107 VanDerWaalsContact C-N 3.33Å; R105-T109 PolarHBondContact O-N 3.34Å; R105-T109 VanDerWaalsContact O-N 3.09Å; R105-T109 PolarHBondContact O-OG1 3.19Å |
| 106 | K | 98.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.1 | -74.2 | 178.4 | -179.3 | 174.3 | 0 | 110.8 | R102 L103 E104 T109 L110 | R102-K106 WeakPolarHBondContact O-CG 3.5Å; R102-K106 PolarHBondContact O-N 3.27Å; L103-K106 WeakPolarHBondContact O-CB 3.44Å; L103-K106 PolarHBondContact O-N 3.46Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 3.28Å; K106-T109 PolarHBondContact O-N 3.37Å; K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 2.88Å |
| 107 | N | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 96.1 Ų | 96.1 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 179.3 | -158.9 | 5.3 | 0 | 0 | 0 | 111.1 | L103 E104 R105 T109 L110 V111 | L103-N107 WeakPolarHBondContact O-CB 3.49Å; L103-N107 PolarHBondContact O-N 3.28Å; E104-N107 WeakPolarHBondContact O-CA 3.41Å; E104-N107 WeakPolarHBondContact O-CB 3.43Å; E104-N107 PolarHBondContact O-N 3.01Å; R105-N107 VanDerWaalsContact C-N 3.33Å; N107-T109 VanDerWaalsContact C-N 3.3Å; N107-T109 PolarHBondContact O-N 3.47Å; N107-L110 PolarHBondContact O-N 2.94Å; N107-L110 VanDerWaalsContact O-N 3.14Å; N107-V111 WeakPolarHBondContact O-CG2 3.29Å; N107-V111 PolarHBondContact O-N 3.22Å |
| 108 | E | 98.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54.9 | -45.5 | 172.9 | -71.3 | 177 | 166.1 | 0 | 0 | 112 | E104 L110 V111 H112 | E104-E108 WeakPolarHBondContact O-CG 3.42Å; E104-E108 PolarHBondContact O-N 3.07Å; E108-L110 PolarHBondContact O-N 3.02Å; E108-V111 PolarHBondContact O-N 2.94Å; E108-H112 PolarHBondContact O-N 2.96Å |
| 109 | T | 98.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 95.5 Ų | 95.5 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | R105 K106 N107 H112 S113 | R105-T109 PolarHBondContact O-N 3.34Å; R105-T109 VanDerWaalsContact O-N 3.09Å; R105-T109 PolarHBondContact O-OG1 3.19Å; K106-T109 PolarHBondContact O-N 3.37Å; N107-T109 VanDerWaalsContact C-N 3.3Å; N107-T109 PolarHBondContact O-N 3.47Å; T109-H112 PolarHBondContact O-N 3.06Å; T109-S113 WeakPolarHBondContact O-CB 3.01Å; T109-S113 PolarHBondContact O-N 3.04Å |
| 110 | L | 98.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.2 | -44.3 | 176.9 | -73.8 | 172.5 | 0 | 0 | 0 | 111.8 | K106 N107 E108 H112 S113 I114 | K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 2.88Å; N107-L110 PolarHBondContact O-N 2.94Å; N107-L110 VanDerWaalsContact O-N 3.14Å; E108-L110 PolarHBondContact O-N 3.02Å; L110-H112 VanDerWaalsContact C-N 3.29Å; L110-H112 PolarHBondContact O-N 3.48Å; L110-S113 PolarHBondContact O-N 3.07Å; L110-I114 WeakPolarHBondContact O-CB 3.49Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.37Å; L110-I114 PolarHBondContact O-N 3.31Å |
| 111 | V | 98.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 99.6 Ų | 99.6 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | N107 E108 S115 | N107-V111 WeakPolarHBondContact O-CG2 3.29Å; N107-V111 PolarHBondContact O-N 3.22Å; E108-V111 PolarHBondContact O-N 2.94Å; V111-S115 WeakPolarHBondContact O-CB 3.48Å; V111-S115 PolarHBondContact O-N 3.49Å; V111-S115 PolarHBondContact O-OG 2.79Å |
| 112 | H | 98.1 | Very high | 97 | Very high | 118 Ų | 118 | 101.8 Ų | 101.8 | 55% | 0.546 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 174.7 | -176.2 | -83.4 | 0 | 0 | 0 | 111.5 | E108 T109 L110 I114 S115 E116 | E108-H112 PolarHBondContact O-N 2.96Å; T109-H112 PolarHBondContact O-N 3.06Å; L110-H112 VanDerWaalsContact C-N 3.29Å; L110-H112 PolarHBondContact O-N 3.48Å; H112-I114 PolarHBondContact O-N 3.32Å; H112-S115 WeakPolarHBondContact O-CB 3.17Å; H112-S115 PolarHBondContact O-N 2.88Å; H112-E116 IonicContact CE1-OE1 2.86Å; H112-E116 WeakPolarHBondContact O-CG 3.29Å; H112-E116 PolarHBondContact O-N 3.44Å |
| 113 | S | 97.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 103.1 Ų | 103.1 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | T109 L110 S115 E116 L117 | T109-S113 WeakPolarHBondContact O-CB 3.01Å; T109-S113 PolarHBondContact O-N 3.04Å; L110-S113 PolarHBondContact O-N 3.07Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 3.05Å; S113-E116 WeakPolarHBondContact O-CB 3.38Å; S113-E116 PolarHBondContact O-N 2.91Å; S113-L117 WeakPolarHBondContact O-CG 3.48Å; S113-L117 PolarHBondContact O-N 3.35Å |
| 114 | I | 97.9 | Very high | 95.8 | Very high | 88 Ų | 88 | 105.5 Ų | 105.5 | 45% | 0.451 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.5 | -70.7 | 166.3 | 0 | 0 | 0 | 110.1 | L110 H112 E116 L117 Q118 | L110-I114 WeakPolarHBondContact O-CB 3.49Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.37Å; L110-I114 PolarHBondContact O-N 3.31Å; H112-I114 PolarHBondContact O-N 3.32Å; I114-E116 VanDerWaalsContact C-N 3.29Å; I114-E116 PolarHBondContact O-N 3.08Å; I114-L117 PolarHBondContact O-N 3.47Å; I114-Q118 HydrophobicContact CG2-CG 4.3Å; I114-Q118 WeakPolarHBondContact O-CB 3.32Å; I114-Q118 WeakPolarHBondContact O-CG 3.19Å; I114-Q118 PolarHBondContact O-N 3.24Å |
| 115 | S | 97.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 102.3 Ų | 102.3 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | V111 H112 S113 R119 | V111-S115 WeakPolarHBondContact O-CB 3.48Å; V111-S115 PolarHBondContact O-N 3.49Å; V111-S115 PolarHBondContact O-OG 2.79Å; H112-S115 WeakPolarHBondContact O-CB 3.17Å; H112-S115 PolarHBondContact O-N 2.88Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 3.05Å; S115-R119 WeakPolarHBondContact O-CB 3.41Å; S115-R119 PolarHBondContact O-N 2.95Å |
| 116 | E | 97.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 100.8 Ų | 100.8 | 29% | 0.29 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 174.4 | -65.3 | -145.6 | 128.3 | 0 | 0 | 113.3 | H112 S113 I114 R119 K120 | H112-E116 IonicContact CE1-OE1 2.86Å; H112-E116 WeakPolarHBondContact O-CG 3.29Å; H112-E116 PolarHBondContact O-N 3.44Å; S113-E116 WeakPolarHBondContact O-CB 3.38Å; S113-E116 PolarHBondContact O-N 2.91Å; I114-E116 VanDerWaalsContact C-N 3.29Å; I114-E116 PolarHBondContact O-N 3.08Å; E116-R119 PolarHBondContact O-N 3.37Å; E116-R119 IonicContact OE1-NH2 3.5Å; E116-R119 PolarHBondContact OE1-NH2 2.92Å; E116-K120 WeakPolarHBondContact O-CG 3.36Å; E116-K120 PolarHBondContact O-N 2.95Å |
| 117 | L | 96.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 178.3 | -72.5 | 174.5 | 0 | 0 | 0 | 111.2 | S113 I114 R119 K120 L121 | S113-L117 WeakPolarHBondContact O-CG 3.48Å; S113-L117 PolarHBondContact O-N 3.35Å; I114-L117 PolarHBondContact O-N 3.47Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.89Å; L117-K120 PolarHBondContact O-N 3.45Å; L117-K120 VanDerWaalsContact O-N 3.15Å; L117-L121 WeakPolarHBondContact O-CB 3.48Å; L117-L121 PolarHBondContact O-N 3Å |
| 118 | Q | 95.2 | Very high | 90.9 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -42.3 | 174 | -73.9 | 177 | -14.4 | 0 | 0 | 111.6 | I114 L121 T122 | I114-Q118 HydrophobicContact CG2-CG 4.3Å; I114-Q118 WeakPolarHBondContact O-CB 3.32Å; I114-Q118 WeakPolarHBondContact O-CG 3.19Å; I114-Q118 PolarHBondContact O-N 3.24Å; Q118-L121 PolarHBondContact O-N 3.48Å; Q118-T122 WeakPolarHBondContact O-CB 3.44Å; Q118-T122 WeakPolarHBondContact O-CG2 3.49Å; Q118-T122 PolarHBondContact O-N 3.35Å; Q118-T122 PolarHBondContact O-OG1 3.01Å |
| 119 | R | 94.6 | Very high | 89.1 | Confident | 105 Ų | 105 | 100 Ų | 100 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 173.9 | 179.2 | 179.4 | 50.6 | 144.4 | 0.2 | 112.7 | S115 E116 L117 T122 R123 | S115-R119 WeakPolarHBondContact O-CB 3.41Å; S115-R119 PolarHBondContact O-N 2.95Å; E116-R119 PolarHBondContact O-N 3.37Å; E116-R119 IonicContact OE1-NH2 3.5Å; E116-R119 PolarHBondContact OE1-NH2 2.92Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.89Å; R119-T122 WeakPolarHBondContact CA-OG1 3.5Å; R119-T122 PolarHBondContact O-OG1 3.09Å; R119-R123 WeakPolarHBondContact O-CB 3.4Å; R119-R123 VanDerWaalsContact O-CG 3.26Å; R119-R123 WeakPolarHBondContact O-CG 3.33Å; R119-R123 PolarHBondContact O-N 2.76Å; R119-R123 VanDerWaalsContact O-N 3.12Å |
| 120 | K | 95.3 | Very high | 87 | Confident | 116 Ų | 116 | 104.2 Ų | 104.2 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 175 | -74.9 | 174.8 | -175.9 | 170.5 | 0 | 111.3 | E116 L117 R123 K124 | E116-K120 WeakPolarHBondContact O-CG 3.36Å; E116-K120 PolarHBondContact O-N 2.95Å; L117-K120 PolarHBondContact O-N 3.45Å; L117-K120 VanDerWaalsContact O-N 3.15Å; K120-R123 PolarHBondContact O-N 2.8Å; K120-K124 PolarHBondContact O-N 2.99Å |
| 121 | L | 92.7 | Very high | 84.9 | Confident | 122 Ų | 122 | 107 Ų | 107 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -48.2 | 179.1 | -173.4 | 67.1 | 0 | 0 | 0 | 111.4 | L117 Q118 R123 K124 S125 | L117-L121 WeakPolarHBondContact O-CB 3.48Å; L117-L121 PolarHBondContact O-N 3Å; Q118-L121 PolarHBondContact O-N 3.48Å; L121-R123 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-N 3.32Å; L121-K124 PolarHBondContact O-N 3.49Å; L121-K124 VanDerWaalsContact O-N 3.14Å; L121-S125 PolarHBondContact O-N 3.33Å; L121-S125 PolarHBondContact O-OG 3.33Å |
| 122 | T | 90.3 | Very high | 82.5 | Confident | 76 Ų | 76 | 109.6 Ų | 109.6 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 176.5 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | Q118 R119 S125 Q126 | Q118-T122 WeakPolarHBondContact O-CB 3.44Å; Q118-T122 WeakPolarHBondContact O-CG2 3.49Å; Q118-T122 PolarHBondContact O-N 3.35Å; Q118-T122 PolarHBondContact O-OG1 3.01Å; R119-T122 WeakPolarHBondContact CA-OG1 3.5Å; R119-T122 PolarHBondContact O-OG1 3.09Å; T122-S125 WeakPolarHBondContact CA-OG 3.38Å; T122-S125 PolarHBondContact O-OG 3.43Å; T122-Q126 WeakPolarHBondContact O-CB 3.47Å; T122-Q126 WeakPolarHBondContact O-CG 3.36Å; T122-Q126 PolarHBondContact O-N 3.49Å; T122-Q126 VanDerWaalsContact O-N 3.08Å |
| 123 | R | 86.9 | Confident | 80.1 | Confident | 146 Ų | 146 | 112.3 Ų | 112.3 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -40.6 | 172 | -75.5 | 175.1 | 179.7 | -176.6 | -0.6 | 112.7 | R119 K120 L121 K127 | R119-R123 WeakPolarHBondContact O-CB 3.4Å; R119-R123 VanDerWaalsContact O-CG 3.26Å; R119-R123 WeakPolarHBondContact O-CG 3.33Å; R119-R123 PolarHBondContact O-N 2.76Å; R119-R123 VanDerWaalsContact O-N 3.12Å; K120-R123 PolarHBondContact O-N 2.8Å; L121-R123 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-N 3.32Å; R123-K127 PolarHBondContact O-N 3.04Å; R123-K127 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 84.9 | Confident | 77.6 | Confident | 152 Ų | 152 | 112.9 Ų | 112.9 | 66% | 0.661 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.8 | -46 | 176.5 | -82.9 | -170.2 | 175.8 | -170.9 | 0 | 110.9 | K120 L121 Q126 K127 V128 | K120-K124 PolarHBondContact O-N 2.99Å; L121-K124 PolarHBondContact O-N 3.49Å; L121-K124 VanDerWaalsContact O-N 3.14Å; K124-Q126 PolarHBondContact O-N 3.45Å; K124-K127 WeakPolarHBondContact O-CB 3.42Å; K124-K127 PolarHBondContact O-N 3.2Å; K124-K127 VanDerWaalsContact O-N 3.08Å; K124-V128 WeakPolarHBondContact O-CG2 3.39Å; K124-V128 PolarHBondContact O-N 3.29Å |
| 125 | S | 75.9 | Confident | 75.2 | Confident | 55 Ų | 55 | 112.4 Ų | 112.4 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 178.9 | 64.4 | 0 | 0 | 0 | 0 | 112 | L121 T122 K127 V128 I129 | L121-S125 PolarHBondContact O-N 3.33Å; L121-S125 PolarHBondContact O-OG 3.33Å; T122-S125 WeakPolarHBondContact CA-OG 3.38Å; T122-S125 PolarHBondContact O-OG 3.43Å; S125-K127 VanDerWaalsContact C-N 3.27Å; S125-K127 PolarHBondContact O-N 2.94Å; S125-V128 PolarHBondContact O-N 3.39Å; S125-I129 WeakPolarHBondContact O-CD1 3.31Å; S125-I129 VanDerWaalsContact O-CG1 3.25Å; S125-I129 WeakPolarHBondContact O-CG1 3.48Å; S125-I129 PolarHBondContact O-N 2.75Å |
| 126 | Q | 74.4 | Confident | 72.9 | Confident | 119 Ų | 119 | 117.3 Ų | 117.3 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -29.4 | 173 | -78.7 | 179.7 | -14.3 | 0 | 0 | 113.9 | T122 K124 R130 | T122-Q126 WeakPolarHBondContact O-CB 3.47Å; T122-Q126 WeakPolarHBondContact O-CG 3.36Å; T122-Q126 PolarHBondContact O-N 3.49Å; T122-Q126 VanDerWaalsContact O-N 3.08Å; K124-Q126 PolarHBondContact O-N 3.45Å; Q126-R130 PolarHBondContact O-N 2.65Å |
| 127 | K | 72.4 | Confident | 70.7 | Confident | 134 Ų | 134 | 123.2 Ų | 123.2 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.5 | -44.9 | 172.1 | -83.9 | -174.7 | 175.1 | -172.1 | 0 | 111.2 | R123 K124 S125 I129 R130 Y131 | R123-K127 PolarHBondContact O-N 3.04Å; R123-K127 VanDerWaalsContact O-N 3.11Å; K124-K127 WeakPolarHBondContact O-CB 3.42Å; K124-K127 PolarHBondContact O-N 3.2Å; K124-K127 VanDerWaalsContact O-N 3.08Å; S125-K127 VanDerWaalsContact C-N 3.27Å; S125-K127 PolarHBondContact O-N 2.94Å; K127-I129 PolarHBondContact O-N 2.64Å; K127-R130 WeakPolarHBondContact O-CB 3.46Å; K127-R130 PolarHBondContact O-N 3.11Å; K127-R130 VanDerWaalsContact O-N 3.12Å; K127-Y131 WeakPolarHBondContact O-CD2 3.18Å; K127-Y131 PolarHBondContact O-N 3.48Å |
| 128 | V | 68.3 | Low | 68.6 | Low | 82 Ų | 82 | 121.8 Ų | 121.8 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.8 | -47.4 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | K124 S125 R130 Y131 E132 | K124-V128 WeakPolarHBondContact O-CG2 3.39Å; K124-V128 PolarHBondContact O-N 3.29Å; S125-V128 PolarHBondContact O-N 3.39Å; V128-R130 PolarHBondContact O-N 2.98Å; V128-Y131 PolarHBondContact O-N 2.85Å; V128-E132 PolarHBondContact O-N 2.87Å |
| 129 | I | 60.3 | Low | 67 | Low | 104 Ų | 104 | 120.5 Ų | 120.5 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.7 | -33.7 | 176.4 | -64.1 | 162.5 | 0 | 0 | 0 | 111.9 | S125 K127 Q133 | S125-I129 WeakPolarHBondContact O-CD1 3.31Å; S125-I129 VanDerWaalsContact O-CG1 3.25Å; S125-I129 WeakPolarHBondContact O-CG1 3.48Å; S125-I129 PolarHBondContact O-N 2.75Å; K127-I129 PolarHBondContact O-N 2.64Å; I129-Q133 PolarHBondContact O-N 2.96Å |
| 130 | R | 54.5 | Low | 65.5 | Low | 183 Ų | 183 | 119.8 Ų | 119.8 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.3 | -32.1 | 175 | -88.1 | -165.7 | -88.5 | -174 | -10.6 | 113.9 | Q126 K127 V128 | Q126-R130 PolarHBondContact O-N 2.65Å; K127-R130 WeakPolarHBondContact O-CB 3.46Å; K127-R130 PolarHBondContact O-N 3.11Å; K127-R130 VanDerWaalsContact O-N 3.12Å; V128-R130 PolarHBondContact O-N 2.98Å |
| 131 | Y | 53.8 | Low | 63.9 | Low | 166 Ų | 166 | 119.9 Ų | 119.9 | 65% | 0.651 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -38.3 | 175 | -89.7 | -85 | 0 | 0 | 0 | 111.6 | K127 V128 Q133 G134 D135 | K127-Y131 WeakPolarHBondContact O-CD2 3.18Å; K127-Y131 PolarHBondContact O-N 3.48Å; V128-Y131 PolarHBondContact O-N 2.85Å; Y131-Q133 PolarHBondContact O-N 2.82Å; Y131-G134 CarbonylContact O-C 3.58Å; Y131-G134 WeakPolarHBondContact O-CA 3.48Å; Y131-G134 PolarHBondContact O-N 3.48Å; Y131-D135 WeakPolarHBondContact O-CB 3.31Å; Y131-D135 PolarHBondContact O-N 3.2Å |
| 132 | E | 49.6 | Very low | 62.5 | Low | 136 Ų | 136 | 118.8 Ų | 118.8 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62 | -27.1 | 176.6 | -121.9 | 160.7 | -178.3 | 0 | 0 | 112.7 | V128 | V128-E132 PolarHBondContact O-N 2.87Å |
| 133 | Q | 46.9 | Very low | 61.5 | Low | 174 Ų | 174 | 118.4 Ų | 118.4 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.2 | 173.4 | -160.3 | 164.3 | 6.6 | 0 | 0 | 113.6 | I129 Y131 | I129-Q133 PolarHBondContact O-N 2.96Å; Y131-Q133 PolarHBondContact O-N 2.82Å |
| 134 | G | 44.9 | Very low | 60.9 | Low | 67 Ų | 67 | 117.8 Ų | 117.8 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -12.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y131 | Y131-G134 CarbonylContact O-C 3.58Å; Y131-G134 WeakPolarHBondContact O-CA 3.48Å; Y131-G134 PolarHBondContact O-N 3.48Å |
| 135 | D | 48 | Very low | 60.7 | Low | 78 Ų | 78 | 114.9 Ų | 114.9 | 42% | 0.417 | 59% | 0.591 | S | S | . | * | trans | -118.7 | 28.6 | -166.3 | -154.8 | 36.2 | 0 | 0 | 0 | 113.7 | Y131 E137 T138 | Y131-D135 WeakPolarHBondContact O-CB 3.31Å; Y131-D135 PolarHBondContact O-N 3.2Å; D135-E137 PolarHBondContact O-N 3.44Å; D135-T138 WeakPolarHBondContact OD1-CG2 3.39Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.39Å | ||
| 136 | L | 47.5 | Very low | 61 | Low | 164 Ų | 164 | 117.3 Ų | 117.3 | 86% | 0.859 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -71.2 | 12.3 | 173.7 | -87.1 | 166 | 0 | 0 | 0 | 114 | ||
| 137 | E | 52.3 | Low | 61.3 | Low | 187 Ų | 187 | 117.2 Ų | 117.2 | 87% | 0.874 | 60% | 0.597 | S | S | * | * | trans | -130.4 | 64.9 | 171.9 | -78.9 | -169.9 | 151.8 | 0 | 0 | 111.5 | D135 | D135-E137 PolarHBondContact O-N 3.44Š| ||
| 138 | T | 52.4 | Low | 61.9 | Low | 72 Ų | 72 | 117.5 Ų | 117.5 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | trans | -102.2 | 120.2 | 165.7 | 37.2 | 0 | 0 | 0 | 0 | 110.9 | D135 | D135-T138 WeakPolarHBondContact OD1-CG2 3.39Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.39Å | ||
| 139 | T | 62 | Low | 62.9 | Low | 92 Ų | 92 | 120 Ų | 120 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | trans | -76 | 151.2 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | E141 E142 | T139-E141 PolarHBondContact O-N 3.4Å; T139-E142 PolarHBondContact O-N 3.43Å; T139-E142 VanDerWaalsContact O-N 3.14Å | ||
| 140 | P | 61.9 | Low | 64 | Low | 91 Ų | 91 | 120.9 Ų | 120.9 | 59% | 0.591 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61.2 | -12 | -172.3 | 20.7 | -32.8 | 0 | 0 | 0 | 116.1 | S143 | P140-S143 PolarHBondContact O-OG 2.9Å |
| 141 | E | 62.3 | Low | 65.6 | Low | 118 Ų | 118 | 118.5 Ų | 118.5 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81 | -33 | 176.9 | -111.1 | 54.8 | -140.4 | 0 | 0 | 112.5 | T139 K144 V145 | T139-E141 PolarHBondContact O-N 3.4Å; E141-K144 IonicContact OE1-NZ 2.65Å; E141-V145 PolarHBondContact O-N 2.78Å |
| 142 | E | 62.5 | Low | 67.2 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 46% | 0.458 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.1 | -33.8 | 175.7 | -80.4 | -165.6 | 164.1 | 0 | 0 | 112.4 | T139 V145 K146 | T139-E142 PolarHBondContact O-N 3.43Å; T139-E142 VanDerWaalsContact O-N 3.14Å; E142-V145 PolarHBondContact O-N 3.01Å; E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 2.88Å; E142-K146 VanDerWaalsContact O-N 3.07Å; E142-K146 IonicContact OE2-NZ 3.89Å |
| 143 | S | 69.8 | Low | 69.2 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 48% | 0.483 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -35.4 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | P140 L147 | P140-S143 PolarHBondContact O-OG 2.9Å; S143-L147 WeakPolarHBondContact O-CB 3.36Å; S143-L147 PolarHBondContact O-N 3.28Å |
| 144 | K | 73.4 | Confident | 71.2 | Confident | 133 Ų | 133 | 105 Ų | 105 | 58% | 0.578 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 172.2 | -83.9 | 178.8 | -179 | 167.3 | 0 | 112.9 | E141 L147 Q148 | E141-K144 IonicContact OE1-NZ 2.65Å; K144-L147 WeakPolarHBondContact O-CB 3.48Å; K144-L147 PolarHBondContact O-N 3.5Å; K144-Q148 PolarHBondContact O-N 2.91Å |
| 145 | V | 81.4 | Confident | 73.4 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -41.2 | 179.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | E141 E142 L147 Q148 Q149 | E141-V145 PolarHBondContact O-N 2.78Å; E142-V145 PolarHBondContact O-N 3.01Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.83Å; V145-Q148 PolarHBondContact O-N 2.98Å; V145-Q149 WeakPolarHBondContact O-CB 3.31Å; V145-Q149 PolarHBondContact O-N 3.47Å |
| 146 | K | 81.9 | Confident | 75.5 | Confident | 106 Ų | 106 | 105.9 Ų | 105.9 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -38 | 174.6 | -72 | 172.2 | -175.2 | 167.4 | 0 | 112.2 | E142 Q149 L150 | E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 2.88Å; E142-K146 VanDerWaalsContact O-N 3.07Å; E142-K146 IonicContact OE2-NZ 3.89Å; K146-Q149 PolarHBondContact O-N 3.28Å; K146-L150 WeakPolarHBondContact O-CG 3.48Å; K146-L150 PolarHBondContact O-N 3.07Å |
| 147 | L | 81.1 | Confident | 77.7 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.7 | -45.7 | 176.9 | -134.2 | 159.7 | 0 | 0 | 0 | 111.2 | S143 K144 V145 Q149 L150 E151 | S143-L147 WeakPolarHBondContact O-CB 3.36Å; S143-L147 PolarHBondContact O-N 3.28Å; K144-L147 WeakPolarHBondContact O-CB 3.48Å; K144-L147 PolarHBondContact O-N 3.5Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.83Å; L147-Q149 VanDerWaalsContact C-N 3.3Å; L147-Q149 PolarHBondContact O-N 3.41Å; L147-L150 PolarHBondContact O-N 3.24Å; L147-E151 WeakPolarHBondContact O-CB 3.16Å; L147-E151 PolarHBondContact O-N 2.99Å |
| 148 | Q | 85.9 | Confident | 79.4 | Confident | 139 Ų | 139 | 100.9 Ų | 100.9 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -34 | 178 | -163.1 | 173.4 | 13.8 | 0 | 0 | 112.5 | K144 V145 S152 | K144-Q148 PolarHBondContact O-N 2.91Å; V145-Q148 PolarHBondContact O-N 2.98Å; Q148-S152 PolarHBondContact O-N 2.76Å; Q148-S152 VanDerWaalsContact O-N 3.09Å; Q148-S152 PolarHBondContact O-OG 3.49Å |
| 149 | Q | 88.3 | Confident | 81.4 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.9 | -35.5 | 174.5 | -173.3 | 178 | 7.5 | 0 | 0 | 112.8 | V145 K146 L147 S152 S153 | V145-Q149 WeakPolarHBondContact O-CB 3.31Å; V145-Q149 PolarHBondContact O-N 3.47Å; K146-Q149 PolarHBondContact O-N 3.28Å; L147-Q149 VanDerWaalsContact C-N 3.3Å; L147-Q149 PolarHBondContact O-N 3.41Å; Q149-S152 PolarHBondContact O-OG 3.04Å; Q149-S153 WeakPolarHBondContact O-CB 3.38Å; Q149-S153 PolarHBondContact O-N 3.49Å; Q149-S153 VanDerWaalsContact O-N 3.09Å |
| 150 | L | 84.1 | Confident | 82.8 | Confident | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.4 | -38.4 | 173.7 | -78.7 | 166.3 | 0 | 0 | 0 | 111.3 | K146 L147 S153 C154 | K146-L150 WeakPolarHBondContact O-CG 3.48Å; K146-L150 PolarHBondContact O-N 3.07Å; L147-L150 PolarHBondContact O-N 3.24Å; L150-S153 PolarHBondContact O-N 3.19Å; L150-C154 WeakPolarHBondContact O-CB 3.34Å; L150-C154 PolarHBondContact O-N 3.07Å |
| 151 | E | 87.4 | Confident | 84.3 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 177.3 | -164.7 | 170.7 | -161.5 | 0 | 0 | 111.6 | L147 C154 A155 | L147-E151 WeakPolarHBondContact O-CB 3.16Å; L147-E151 PolarHBondContact O-N 2.99Å; E151-C154 PolarHBondContact O-N 3.34Å; E151-A155 PolarHBondContact O-N 3.34Å |
| 152 | S | 87.8 | Confident | 85.7 | Confident | 64 Ų | 64 | 102.7 Ų | 102.7 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 173.5 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | Q148 Q149 C154 A155 D156 | Q148-S152 PolarHBondContact O-N 2.76Å; Q148-S152 VanDerWaalsContact O-N 3.09Å; Q148-S152 PolarHBondContact O-OG 3.49Å; Q149-S152 PolarHBondContact O-OG 3.04Å; S152-C154 VanDerWaalsContact C-N 3.29Å; S152-C154 PolarHBondContact O-N 3.47Å; S152-A155 PolarHBondContact O-N 3.21Å; S152-D156 PolarHBondContact O-N 3.45Å |
| 153 | S | 90.8 | Very high | 87.2 | Confident | 67 Ų | 67 | 103.8 Ų | 103.8 | 47% | 0.469 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -34.6 | 174.7 | -175 | 0 | 0 | 0 | 0 | 112.6 | Q149 L150 Q157 | Q149-S153 WeakPolarHBondContact O-CB 3.38Å; Q149-S153 PolarHBondContact O-N 3.49Å; Q149-S153 VanDerWaalsContact O-N 3.09Å; L150-S153 PolarHBondContact O-N 3.19Å; S153-Q157 WeakPolarHBondContact O-CB 3.4Å; S153-Q157 PolarHBondContact O-N 3.5Å; S153-Q157 VanDerWaalsContact O-N 3.08Å |
| 154 | C | 88.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 105.5 Ų | 105.5 | 42% | 0.419 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 176.6 | -165.1 | 0 | 0 | 0 | 0 | 110.7 | L150 E151 S152 D156 Q157 E158 | L150-C154 WeakPolarHBondContact O-CB 3.34Å; L150-C154 PolarHBondContact O-N 3.07Å; E151-C154 PolarHBondContact O-N 3.34Å; S152-C154 VanDerWaalsContact C-N 3.29Å; S152-C154 PolarHBondContact O-N 3.47Å; C154-D156 VanDerWaalsContact C-N 3.32Å; C154-D156 PolarHBondContact O-N 2.95Å; C154-Q157 PolarHBondContact O-N 3.36Å; C154-E158 WeakPolarHBondContact O-CG 3.42Å; C154-E158 PolarHBondContact O-N 3.29Å |
| 155 | A | 92.1 | Very high | 89.4 | Confident | 53 Ų | 53 | 103 Ų | 103 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E151 S152 K159 | E151-A155 PolarHBondContact O-N 3.34Å; S152-A155 PolarHBondContact O-N 3.21Å; A155-K159 WeakPolarHBondContact O-CB 3.5Å; A155-K159 PolarHBondContact O-N 2.94Å; A155-K159 VanDerWaalsContact O-N 3.11Å |
| 156 | D | 92.8 | Very high | 90 | Very high | 110 Ų | 110 | 105.4 Ų | 105.4 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 175.3 | -75.2 | -26.2 | 0 | 0 | 0 | 111.7 | S152 C154 K159 E160 | S152-D156 PolarHBondContact O-N 3.45Å; C154-D156 VanDerWaalsContact C-N 3.32Å; C154-D156 PolarHBondContact O-N 2.95Å; D156-K159 PolarHBondContact O-N 2.97Å; D156-E160 PolarHBondContact O-N 3.02Å |
| 157 | Q | 92.4 | Very high | 90.7 | Very high | 116 Ų | 116 | 105.4 Ų | 105.4 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -40.6 | 177.5 | -172.8 | 177.8 | -7.3 | 0 | 0 | 112.3 | S153 C154 K159 E160 L161 | S153-Q157 WeakPolarHBondContact O-CB 3.4Å; S153-Q157 PolarHBondContact O-N 3.5Å; S153-Q157 VanDerWaalsContact O-N 3.08Å; C154-Q157 PolarHBondContact O-N 3.36Å; Q157-K159 VanDerWaalsContact C-N 3.31Å; Q157-K159 PolarHBondContact O-N 3.27Å; Q157-E160 PolarHBondContact O-N 3.5Å; Q157-L161 HydrophobicContact CG-CD1 4.32Å; Q157-L161 WeakPolarHBondContact O-CB 3.5Å; Q157-L161 WeakPolarHBondContact O-CG 3.32Å; Q157-L161 PolarHBondContact O-N 3.23Å |
| 158 | E | 88.1 | Confident | 91.4 | Very high | 130 Ų | 130 | 105.4 Ų | 105.4 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.7 | -40.4 | 174.8 | -76.3 | -179.8 | 175.9 | 0 | 0 | 111.8 | C154 L161 G162 | C154-E158 WeakPolarHBondContact O-CG 3.42Å; C154-E158 PolarHBondContact O-N 3.29Å; E158-L161 PolarHBondContact O-N 2.99Å; E158-G162 PolarHBondContact O-N 2.96Å |
| 159 | K | 93.9 | Very high | 92 | Very high | 140 Ų | 140 | 101.5 Ų | 101.5 | 61% | 0.609 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | 176.5 | -174.7 | 179.5 | -179.9 | -179.8 | 0 | 112.3 | A155 D156 Q157 G162 K163 | A155-K159 WeakPolarHBondContact O-CB 3.5Å; A155-K159 PolarHBondContact O-N 2.94Å; A155-K159 VanDerWaalsContact O-N 3.11Å; D156-K159 PolarHBondContact O-N 2.97Å; Q157-K159 VanDerWaalsContact C-N 3.31Å; Q157-K159 PolarHBondContact O-N 3.27Å; K159-G162 PolarHBondContact O-N 3.41Å; K159-K163 PolarHBondContact O-N 3.47Å |
| 160 | E | 93 | Very high | 92.4 | Very high | 146 Ų | 146 | 99.5 Ų | 99.5 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | 176.4 | -167.8 | 171.2 | -170.4 | 0 | 0 | 111.7 | D156 Q157 G162 K163 L164 | D156-E160 PolarHBondContact O-N 3.02Å; Q157-E160 PolarHBondContact O-N 3.5Å; E160-G162 VanDerWaalsContact C-N 3.32Å; E160-G162 PolarHBondContact O-N 3.48Å; E160-K163 PolarHBondContact O-N 3Å; E160-L164 PolarHBondContact O-N 3.37Å; E160-L164 VanDerWaalsContact O-N 3.1Å |
| 161 | L | 91.6 | Very high | 93 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 172.3 | -77.4 | 168.2 | 0 | 0 | 0 | 112.2 | Q157 E158 K163 L164 C165 | Q157-L161 HydrophobicContact CG-CD1 4.32Å; Q157-L161 WeakPolarHBondContact O-CB 3.5Å; Q157-L161 WeakPolarHBondContact O-CG 3.32Å; Q157-L161 PolarHBondContact O-N 3.23Å; E158-L161 PolarHBondContact O-N 2.99Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 2.82Å; L161-L164 PolarHBondContact O-N 3.39Å; L161-C165 PolarHBondContact O-N 2.86Å; L161-C165 PolarHBondContact O-SG 2.84Å; L161-C165 VanDerWaalsContact O-SG 3.35Å |
| 162 | G | 92.2 | Very high | 93.4 | Very high | 33 Ų | 33 | 94.2 Ų | 94.2 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E158 K159 E160 C165 E166 | E158-G162 PolarHBondContact O-N 2.96Å; K159-G162 PolarHBondContact O-N 3.41Å; E160-G162 VanDerWaalsContact C-N 3.32Å; E160-G162 PolarHBondContact O-N 3.48Å; G162-C165 PolarHBondContact O-N 3.2Å; G162-E166 WeakPolarHBondContact O-CG 3.32Å; G162-E166 PolarHBondContact O-N 3.25Å |
| 163 | K | 93.9 | Very high | 93.9 | Very high | 121 Ų | 121 | 97.8 Ų | 97.8 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.5 | -68.8 | 177.7 | -178.8 | -179.9 | 0 | 112.4 | K159 E160 L161 C165 E166 D167 | K159-K163 PolarHBondContact O-N 3.47Å; E160-K163 PolarHBondContact O-N 3Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 2.82Å; K163-C165 VanDerWaalsContact C-N 3.31Å; K163-C165 PolarHBondContact O-N 3.4Å; K163-E166 PolarHBondContact O-N 3.44Å; K163-D167 PolarHBondContact O-N 3.4Å |
| 164 | L | 93.6 | Very high | 94.2 | Very high | 106 Ų | 106 | 100.9 Ų | 100.9 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 177.5 | -174.7 | 68.3 | 0 | 0 | 0 | 111.5 | E160 L161 D167 Q168 | E160-L164 PolarHBondContact O-N 3.37Å; E160-L164 VanDerWaalsContact O-N 3.1Å; L161-L164 PolarHBondContact O-N 3.39Å; L164-D167 PolarHBondContact O-N 3.09Å; L164-Q168 WeakPolarHBondContact O-CB 3.27Å; L164-Q168 PolarHBondContact O-N 3.19Å |
| 165 | C | 95.6 | Very high | 94.7 | Very high | 79 Ų | 79 | 105.4 Ų | 105.4 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.5 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | L161 G162 K163 Q168 A169 | L161-C165 PolarHBondContact O-N 2.86Å; L161-C165 PolarHBondContact O-SG 2.84Å; L161-C165 VanDerWaalsContact O-SG 3.35Å; G162-C165 PolarHBondContact O-N 3.2Å; K163-C165 VanDerWaalsContact C-N 3.31Å; K163-C165 PolarHBondContact O-N 3.4Å; C165-Q168 PolarHBondContact O-N 3.37Å; C165-A169 WeakPolarHBondContact O-CB 3.5Å; C165-A169 PolarHBondContact O-N 3.44Å |
| 166 | E | 94.6 | Very high | 94.9 | Very high | 143 Ų | 143 | 108.8 Ų | 108.8 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 175.4 | -75.5 | 177.2 | -178.1 | 0 | 0 | 111.8 | G162 K163 Q168 A169 L170 | G162-E166 WeakPolarHBondContact O-CG 3.32Å; G162-E166 PolarHBondContact O-N 3.25Å; K163-E166 PolarHBondContact O-N 3.44Å; E166-Q168 VanDerWaalsContact C-N 3.33Å; E166-Q168 PolarHBondContact O-N 3.01Å; E166-A169 PolarHBondContact O-N 2.91Å; E166-L170 PolarHBondContact O-N 3.27Å |
| 167 | D | 96.2 | Very high | 95.2 | Very high | 106 Ų | 106 | 108.2 Ų | 108.2 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 177.9 | -75.2 | -19.5 | 0 | 0 | 0 | 111.4 | K163 L164 L170 C171 | K163-D167 PolarHBondContact O-N 3.4Å; L164-D167 PolarHBondContact O-N 3.09Å; D167-L170 PolarHBondContact O-N 3.44Å; D167-C171 WeakPolarHBondContact O-CB 3.41Å; D167-C171 PolarHBondContact O-N 3.45Å |
| 168 | Q | 96.8 | Very high | 95.4 | Very high | 117 Ų | 117 | 104.9 Ų | 104.9 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 177.6 | -167.8 | 173 | -2 | 0 | 0 | 111.8 | L164 C165 E166 L170 C171 I172 | L164-Q168 WeakPolarHBondContact O-CB 3.27Å; L164-Q168 PolarHBondContact O-N 3.19Å; C165-Q168 PolarHBondContact O-N 3.37Å; E166-Q168 VanDerWaalsContact C-N 3.33Å; E166-Q168 PolarHBondContact O-N 3.01Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 3.49Å; Q168-C171 WeakPolarHBondContact O-CB 3.34Å; Q168-C171 PolarHBondContact O-N 2.9Å; Q168-I172 HydrophobicContact CG-CD1 4.26Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.37Å; Q168-I172 PolarHBondContact O-N 3.25Å |
| 169 | A | 97.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C165 E166 I172 K173 | C165-A169 WeakPolarHBondContact O-CB 3.5Å; C165-A169 PolarHBondContact O-N 3.44Å; E166-A169 PolarHBondContact O-N 2.91Å; A169-I172 PolarHBondContact O-N 3.47Å; A169-K173 WeakPolarHBondContact O-CB 3.47Å; A169-K173 PolarHBondContact O-N 3.3Å |
| 170 | L | 97.1 | Very high | 96 | Very high | 92 Ų | 92 | 103.4 Ų | 103.4 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.8 | -177.6 | 66 | 0 | 0 | 0 | 111.8 | E166 D167 Q168 K173 K174 | E166-L170 PolarHBondContact O-N 3.27Å; D167-L170 PolarHBondContact O-N 3.44Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 3.49Å; L170-K173 PolarHBondContact O-N 2.95Å; L170-K174 WeakPolarHBondContact O-CG 3.32Å; L170-K174 PolarHBondContact O-N 3.26Å |
| 171 | C | 96.7 | Very high | 96.2 | Very high | 60 Ų | 60 | 103.2 Ų | 103.2 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 176.7 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | D167 Q168 K173 K174 Y175 | D167-C171 WeakPolarHBondContact O-CB 3.41Å; D167-C171 PolarHBondContact O-N 3.45Å; Q168-C171 WeakPolarHBondContact O-CB 3.34Å; Q168-C171 PolarHBondContact O-N 2.9Å; C171-K173 VanDerWaalsContact C-N 3.3Å; C171-K173 PolarHBondContact O-N 3.47Å; C171-K174 PolarHBondContact O-N 2.87Å; C171-Y175 VanDerWaalsContact O-CD2 3.25Å; C171-Y175 WeakPolarHBondContact O-CD2 3.14Å; C171-Y175 PolarHBondContact O-N 3.4Å; C171-Y175 VanDerWaalsContact O-N 3.12Å; C171-Y175 VanDerWaalsContact SG-CE2 3.52Å |
| 172 | I | 97 | Very high | 96.4 | Very high | 85 Ų | 85 | 103.5 Ų | 103.5 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 176.1 | -69.4 | 165.3 | 0 | 0 | 0 | 110.7 | Q168 A169 K174 Y175 Q176 | Q168-I172 HydrophobicContact CG-CD1 4.26Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.37Å; Q168-I172 PolarHBondContact O-N 3.25Å; A169-I172 PolarHBondContact O-N 3.47Å; I172-K174 VanDerWaalsContact C-N 3.33Å; I172-K174 PolarHBondContact O-N 3.09Å; I172-Y175 PolarHBondContact O-N 3.02Å; I172-Q176 HydrophobicContact CG2-CG 4.38Å; I172-Q176 WeakPolarHBondContact O-CG 3.32Å; I172-Q176 PolarHBondContact O-N 3.45Å |
| 173 | K | 97.8 | Very high | 96.6 | Very high | 138 Ų | 138 | 108.5 Ų | 108.5 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 179.3 | -170.6 | -178.7 | 179.7 | -178.1 | 0 | 112.3 | A169 L170 C171 Q176 E177 | A169-K173 WeakPolarHBondContact O-CB 3.47Å; A169-K173 PolarHBondContact O-N 3.3Å; L170-K173 PolarHBondContact O-N 2.95Å; C171-K173 VanDerWaalsContact C-N 3.3Å; C171-K173 PolarHBondContact O-N 3.47Å; K173-Q176 PolarHBondContact O-N 3.02Å; K173-E177 PolarHBondContact O-N 3.45Å |
| 174 | K | 97.7 | Very high | 96.6 | Very high | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 176.6 | -74 | 179.9 | 179 | 178.9 | 0 | 112.1 | L170 C171 I172 E177 A178 | L170-K174 WeakPolarHBondContact O-CG 3.32Å; L170-K174 PolarHBondContact O-N 3.26Å; C171-K174 PolarHBondContact O-N 2.87Å; I172-K174 VanDerWaalsContact C-N 3.33Å; I172-K174 PolarHBondContact O-N 3.09Å; K174-E177 PolarHBondContact O-N 3.09Å; K174-A178 WeakPolarHBondContact O-CB 3.26Å; K174-A178 PolarHBondContact O-N 2.7Å |
| 175 | Y | 97.7 | Very high | 96.7 | Very high | 157 Ų | 157 | 108.4 Ų | 108.4 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 176.4 | -79.6 | -66.3 | 0 | 0 | 0 | 112.3 | C171 I172 E177 A178 L179 | C171-Y175 VanDerWaalsContact O-CD2 3.25Å; C171-Y175 WeakPolarHBondContact O-CD2 3.14Å; C171-Y175 PolarHBondContact O-N 3.4Å; C171-Y175 VanDerWaalsContact O-N 3.12Å; C171-Y175 VanDerWaalsContact SG-CE2 3.52Å; I172-Y175 PolarHBondContact O-N 3.02Å; Y175-E177 VanDerWaalsContact C-N 3.34Å; Y175-E177 PolarHBondContact O-N 2.88Å; Y175-A178 PolarHBondContact O-N 3.35Å; Y175-L179 WeakPolarHBondContact O-CB 3.49Å; Y175-L179 WeakPolarHBondContact O-CG 3.37Å; Y175-L179 PolarHBondContact O-N 3.48Å |
| 176 | Q | 97.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 110.6 Ų | 110.6 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 175.3 | -72.6 | 176.7 | -21 | 0 | 0 | 112.1 | I172 K173 K180 | I172-Q176 HydrophobicContact CG2-CG 4.38Å; I172-Q176 WeakPolarHBondContact O-CG 3.32Å; I172-Q176 PolarHBondContact O-N 3.45Å; K173-Q176 PolarHBondContact O-N 3.02Å; Q176-K180 PolarHBondContact O-N 3.48Å; Q176-K180 VanDerWaalsContact O-N 3.07Å |
| 177 | E | 97.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 175.7 | -169.4 | -177 | 157.6 | 0 | 0 | 112 | K173 K174 Y175 K180 R181 | K173-E177 PolarHBondContact O-N 3.45Å; K174-E177 PolarHBondContact O-N 3.09Å; Y175-E177 VanDerWaalsContact C-N 3.34Å; Y175-E177 PolarHBondContact O-N 2.88Å; E177-K180 PolarHBondContact O-N 3.35Å; E177-R181 PolarHBondContact O-N 3.13Å; E177-R181 IonicContact OE1-CZ 2.96Å; E177-R181 IonicContact OE1-NE 3.22Å; E177-R181 IonicContact OE1-NH2 2.62Å; E177-R181 PolarHBondContact OE1-NH2 3.36Å |
| 178 | A | 96.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 109.7 Ų | 109.7 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K174 Y175 K180 R181 I182 | K174-A178 WeakPolarHBondContact O-CB 3.26Å; K174-A178 PolarHBondContact O-N 2.7Å; Y175-A178 PolarHBondContact O-N 3.35Å; A178-K180 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 2.94Å; A178-R181 PolarHBondContact O-N 3.32Å; A178-I182 WeakPolarHBondContact O-CG1 3.48Å; A178-I182 PolarHBondContact O-N 3.36Å |
| 179 | L | 97.1 | Very high | 96.2 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 174.8 | -77.3 | 169.7 | 0 | 0 | 0 | 111.7 | Y175 R181 I182 E183 | Y175-L179 WeakPolarHBondContact O-CB 3.49Å; Y175-L179 WeakPolarHBondContact O-CG 3.37Å; Y175-L179 PolarHBondContact O-N 3.48Å; L179-R181 VanDerWaalsContact C-N 3.35Å; L179-R181 PolarHBondContact O-N 2.88Å; L179-I182 PolarHBondContact O-N 2.95Å; L179-E183 PolarHBondContact O-N 2.89Å |
| 180 | K | 97.4 | Very high | 96 | Very high | 124 Ų | 124 | 109.6 Ų | 109.6 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.2 | -169.7 | -179 | 179.9 | -163.2 | 0 | 112.3 | Q176 E177 A178 E183 E184 | Q176-K180 PolarHBondContact O-N 3.48Å; Q176-K180 VanDerWaalsContact O-N 3.07Å; E177-K180 PolarHBondContact O-N 3.35Å; A178-K180 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 2.94Å; K180-E183 PolarHBondContact O-N 3.05Å; K180-E184 WeakPolarHBondContact CE-OE1 3.39Å; K180-E184 IonicContact NZ-OE1 3.25Å; K180-E184 WeakPolarHBondContact O-CG 3.47Å; K180-E184 PolarHBondContact O-N 3.18Å |
| 181 | R | 96.9 | Very high | 95.8 | Very high | 143 Ų | 143 | 110.7 Ų | 110.7 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176 | -71.5 | -171.7 | -167.6 | -175.8 | 4.7 | 112.4 | E177 A178 L179 E183 E184 E185 | E177-R181 PolarHBondContact O-N 3.13Å; E177-R181 IonicContact OE1-CZ 2.96Å; E177-R181 IonicContact OE1-NE 3.22Å; E177-R181 IonicContact OE1-NH2 2.62Å; E177-R181 PolarHBondContact OE1-NH2 3.36Å; A178-R181 PolarHBondContact O-N 3.32Å; L179-R181 VanDerWaalsContact C-N 3.35Å; L179-R181 PolarHBondContact O-N 2.88Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 3.36Å; R181-E184 PolarHBondContact O-N 3.31Å; R181-E185 WeakPolarHBondContact O-CB 3.38Å; R181-E185 WeakPolarHBondContact O-CG 3.34Å; R181-E185 PolarHBondContact O-N 3.39Å |
| 182 | I | 96.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 114.4 Ų | 114.4 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.2 | -67.9 | 166.3 | 0 | 0 | 0 | 110.5 | A178 L179 E185 L186 | A178-I182 WeakPolarHBondContact O-CG1 3.48Å; A178-I182 PolarHBondContact O-N 3.36Å; L179-I182 PolarHBondContact O-N 2.95Å; I182-E185 PolarHBondContact O-N 2.9Å; I182-L186 WeakPolarHBondContact O-CB 3.49Å; I182-L186 PolarHBondContact O-N 3.12Å |
| 183 | E | 95.9 | Very high | 95.2 | Very high | 138 Ų | 138 | 118.5 Ų | 118.5 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.8 | -45.7 | 176.7 | -172.8 | 172.8 | -160.6 | 0 | 0 | 111.8 | L179 K180 R181 L186 E187 | L179-E183 PolarHBondContact O-N 2.89Å; K180-E183 PolarHBondContact O-N 3.05Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 3.36Å; E183-L186 PolarHBondContact O-N 3.28Å; E183-E187 PolarHBondContact O-N 3.03Å |
| 184 | E | 95.6 | Very high | 94.8 | Very high | 94 Ų | 94 | 115.1 Ų | 115.1 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 174.9 | -70.8 | 171.5 | -178.3 | 0 | 0 | 112.1 | K180 R181 L186 E187 T188 | K180-E184 WeakPolarHBondContact CE-OE1 3.39Å; K180-E184 IonicContact NZ-OE1 3.25Å; K180-E184 WeakPolarHBondContact O-CG 3.47Å; K180-E184 PolarHBondContact O-N 3.18Å; R181-E184 PolarHBondContact O-N 3.31Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 2.96Å; E184-E187 PolarHBondContact O-N 3.39Å; E184-T188 WeakPolarHBondContact O-CB 3.37Å; E184-T188 VanDerWaalsContact O-CG2 3.31Å; E184-T188 WeakPolarHBondContact O-CG2 3.32Å; E184-T188 PolarHBondContact O-N 3.01Å; E184-T188 PolarHBondContact O-OG1 3.01Å |
| 185 | E | 95.2 | Very high | 94.3 | Very high | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.612 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -36.5 | 175 | -77.1 | 177.5 | -168.4 | 0 | 0 | 112.4 | R181 I182 T188 G189 | R181-E185 WeakPolarHBondContact O-CB 3.38Å; R181-E185 WeakPolarHBondContact O-CG 3.34Å; R181-E185 PolarHBondContact O-N 3.39Å; I182-E185 PolarHBondContact O-N 2.9Å; E185-T188 VanDerWaalsContact CA-OG1 3.31Å; E185-T188 WeakPolarHBondContact CA-OG1 3.36Å; E185-T188 PolarHBondContact O-OG1 2.7Å; E185-G189 PolarHBondContact O-N 3.4Å |
| 186 | L | 94.8 | Very high | 93.8 | Very high | 125 Ų | 125 | 107.9 Ų | 107.9 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.3 | -41.1 | 179.2 | -145.6 | 160.7 | 0 | 0 | 0 | 111 | I182 E183 E184 G189 Y190 | I182-L186 WeakPolarHBondContact O-CB 3.49Å; I182-L186 PolarHBondContact O-N 3.12Å; E183-L186 PolarHBondContact O-N 3.28Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 2.96Å; L186-G189 PolarHBondContact O-N 3.39Å; L186-Y190 WeakPolarHBondContact O-CB 3.28Å; L186-Y190 PolarHBondContact O-N 3.29Å |
| 187 | E | 93 | Very high | 93.5 | Very high | 144 Ų | 144 | 107 Ų | 107 | 67% | 0.673 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -46.2 | 175.1 | -172.3 | 172.9 | -166.5 | 0 | 0 | 111.6 | E183 E184 G189 Y190 L191 | E183-E187 PolarHBondContact O-N 3.03Å; E184-E187 PolarHBondContact O-N 3.39Å; E187-G189 PolarHBondContact O-N 2.87Å; E187-Y190 PolarHBondContact O-N 3Å; E187-L191 PolarHBondContact O-N 2.84Å |
| 188 | T | 92.6 | Very high | 92.9 | Very high | 86 Ų | 86 | 106 Ų | 106 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.2 | 52.6 | 0 | 0 | 0 | 0 | 112 | E184 E185 Y190 L191 E192 | E184-T188 WeakPolarHBondContact O-CB 3.37Å; E184-T188 VanDerWaalsContact O-CG2 3.31Å; E184-T188 WeakPolarHBondContact O-CG2 3.32Å; E184-T188 PolarHBondContact O-N 3.01Å; E184-T188 PolarHBondContact O-OG1 3.01Å; E185-T188 VanDerWaalsContact CA-OG1 3.31Å; E185-T188 WeakPolarHBondContact CA-OG1 3.36Å; E185-T188 PolarHBondContact O-OG1 2.7Å; T188-Y190 VanDerWaalsContact C-N 3.35Å; T188-Y190 PolarHBondContact O-N 2.62Å; T188-L191 PolarHBondContact O-N 3.41Å; T188-E192 WeakPolarHBondContact O-CB 3.35Å; T188-E192 PolarHBondContact O-N 3.25Å |
| 189 | G | 92.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 109.1 Ų | 109.1 | 26% | 0.258 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E185 L186 E187 R193 | E185-G189 PolarHBondContact O-N 3.4Å; L186-G189 PolarHBondContact O-N 3.39Å; E187-G189 PolarHBondContact O-N 2.87Å; G189-R193 WeakPolarHBondContact O-CB 3.43Å; G189-R193 PolarHBondContact O-N 2.89Å; G189-R193 VanDerWaalsContact O-N 3.07Å |
| 190 | Y | 91.8 | Very high | 91.4 | Very high | 147 Ų | 147 | 106.5 Ų | 106.5 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | 171.7 | -174.3 | -92.8 | 0 | 0 | 0 | 111.3 | L186 E187 T188 R193 E194 | L186-Y190 WeakPolarHBondContact O-CB 3.28Å; L186-Y190 PolarHBondContact O-N 3.29Å; E187-Y190 PolarHBondContact O-N 3Å; T188-Y190 VanDerWaalsContact C-N 3.35Å; T188-Y190 PolarHBondContact O-N 2.62Å; Y190-R193 PolarHBondContact O-N 2.89Å; Y190-E194 HydrophobicContact CE1-CG 4.45Å; Y190-E194 PolarHBondContact O-N 2.57Å; Y190-E194 VanDerWaalsContact O-N 3.07Å |
| 191 | L | 92.2 | Very high | 90.4 | Very high | 115 Ų | 115 | 106.1 Ų | 106.1 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 177.6 | -171.8 | 65.8 | 0 | 0 | 0 | 111.7 | E187 T188 R193 E194 V195 | E187-L191 PolarHBondContact O-N 2.84Å; T188-L191 PolarHBondContact O-N 3.41Å; L191-R193 VanDerWaalsContact C-N 3.3Å; L191-R193 PolarHBondContact O-N 3.23Å; L191-E194 PolarHBondContact O-N 2.91Å; L191-V195 WeakPolarHBondContact O-CG2 3.47Å; L191-V195 PolarHBondContact O-N 3.04Å |
| 192 | E | 90.6 | Very high | 89.3 | Confident | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 176.9 | -174.3 | 177.9 | -169.9 | 0 | 0 | 111.9 | T188 V195 S196 | T188-E192 WeakPolarHBondContact O-CB 3.35Å; T188-E192 PolarHBondContact O-N 3.25Å; E192-V195 PolarHBondContact O-N 2.96Å; E192-S196 VanDerWaalsContact O-CB 3.32Å; E192-S196 WeakPolarHBondContact O-CB 3.41Å; E192-S196 PolarHBondContact O-N 3.42Å; E192-S196 PolarHBondContact O-OG 3.47Å |
| 193 | R | 92.1 | Very high | 87.9 | Confident | 172 Ų | 172 | 101.1 Ų | 101.1 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 174.9 | -169.6 | -179.1 | -61.8 | 133.7 | 3.8 | 112 | G189 Y190 L191 S196 K197 | G189-R193 WeakPolarHBondContact O-CB 3.43Å; G189-R193 PolarHBondContact O-N 2.89Å; G189-R193 VanDerWaalsContact O-N 3.07Å; Y190-R193 PolarHBondContact O-N 2.89Å; L191-R193 VanDerWaalsContact C-N 3.3Å; L191-R193 PolarHBondContact O-N 3.23Å; R193-S196 PolarHBondContact O-N 3.21Å; R193-K197 VanDerWaalsContact O-CB 3.32Å; R193-K197 WeakPolarHBondContact O-CB 3.44Å; R193-K197 PolarHBondContact O-N 3.01Å |
| 194 | E | 87.9 | Confident | 86.4 | Confident | 66 Ų | 66 | 101 Ų | 101 | 31% | 0.308 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 174.3 | -91.2 | -55.1 | 157 | 0 | 0 | 112.4 | Y190 L191 S196 K197 V198 | Y190-E194 HydrophobicContact CE1-CG 4.45Å; Y190-E194 PolarHBondContact O-N 2.57Å; Y190-E194 VanDerWaalsContact O-N 3.07Å; L191-E194 PolarHBondContact O-N 2.91Å; E194-S196 VanDerWaalsContact C-N 3.34Å; E194-S196 PolarHBondContact O-N 3.29Å; E194-K197 WeakPolarHBondContact O-CB 3.4Å; E194-K197 PolarHBondContact O-N 3.23Å; E194-K197 IonicContact OE1-NZ 3.04Å; E194-K197 PolarHBondContact OE1-NZ 3.46Å; E194-K197 IonicContact OE2-NZ 3.66Å; E194-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 3.48Å |
| 195 | V | 88.4 | Confident | 85 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L191 E192 K197 V198 L199 | L191-V195 WeakPolarHBondContact O-CG2 3.47Å; L191-V195 PolarHBondContact O-N 3.04Å; E192-V195 PolarHBondContact O-N 2.96Å; V195-K197 VanDerWaalsContact C-N 3.31Å; V195-K197 PolarHBondContact O-N 2.92Å; V195-V198 PolarHBondContact O-N 3.09Å; V195-L199 HydrophobicContact CG1-CD1 3.86Å; V195-L199 HydrophobicContact CG1-CG 4.32Å; V195-L199 WeakPolarHBondContact O-CB 3.35Å; V195-L199 VanDerWaalsContact O-CG 3.32Å; V195-L199 WeakPolarHBondContact O-CG 3.32Å; V195-L199 PolarHBondContact O-N 2.91Å |
| 196 | S | 87.7 | Confident | 83.3 | Confident | 61 Ų | 61 | 105.6 Ų | 105.6 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.6 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | E192 R193 E194 L199 S200 | E192-S196 VanDerWaalsContact O-CB 3.32Å; E192-S196 WeakPolarHBondContact O-CB 3.41Å; E192-S196 PolarHBondContact O-N 3.42Å; E192-S196 PolarHBondContact O-OG 3.47Å; R193-S196 PolarHBondContact O-N 3.21Å; E194-S196 VanDerWaalsContact C-N 3.34Å; E194-S196 PolarHBondContact O-N 3.29Å; S196-L199 PolarHBondContact O-N 3.42Å; S196-S200 WeakPolarHBondContact O-CB 3.38Å; S196-S200 PolarHBondContact O-N 3.5Å; S196-S200 PolarHBondContact O-OG 2.92Å |
| 197 | K | 89.9 | Confident | 81.6 | Confident | 107 Ų | 107 | 108 Ų | 108 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 176 | -175.9 | 174 | 160.3 | -158 | 0 | 111.3 | R193 E194 V195 S200 M201 | R193-K197 VanDerWaalsContact O-CB 3.32Å; R193-K197 WeakPolarHBondContact O-CB 3.44Å; R193-K197 PolarHBondContact O-N 3.01Å; E194-K197 WeakPolarHBondContact O-CB 3.4Å; E194-K197 PolarHBondContact O-N 3.23Å; E194-K197 IonicContact OE1-NZ 3.04Å; E194-K197 PolarHBondContact OE1-NZ 3.46Å; E194-K197 IonicContact OE2-NZ 3.66Å; V195-K197 VanDerWaalsContact C-N 3.31Å; V195-K197 PolarHBondContact O-N 2.92Å; K197-S200 PolarHBondContact O-N 3.27Å; K197-S200 PolarHBondContact O-OG 2.73Å; K197-M201 WeakPolarHBondContact O-CG 3.32Å; K197-M201 PolarHBondContact O-N 3.26Å |
| 198 | V | 85.8 | Confident | 79.9 | Confident | 76 Ų | 76 | 103.7 Ų | 103.7 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | E194 V195 S200 M201 D202 | E194-V198 WeakPolarHBondContact O-CG2 3.39Å; E194-V198 PolarHBondContact O-N 3.48Å; V195-V198 PolarHBondContact O-N 3.09Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 2.88Å; V198-M201 WeakPolarHBondContact O-CB 3.3Å; V198-M201 PolarHBondContact O-N 3Å; V198-M201 VanDerWaalsContact O-N 3.13Å; V198-D202 PolarHBondContact O-N 2.94Å |
| 199 | L | 81.3 | Confident | 78.1 | Confident | 110 Ų | 110 | 103.8 Ų | 103.8 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | 177.7 | -71 | 172.9 | 0 | 0 | 0 | 112.4 | V195 S196 D202 S203 | V195-L199 HydrophobicContact CG1-CD1 3.86Å; V195-L199 HydrophobicContact CG1-CG 4.32Å; V195-L199 WeakPolarHBondContact O-CB 3.35Å; V195-L199 VanDerWaalsContact O-CG 3.32Å; V195-L199 WeakPolarHBondContact O-CG 3.32Å; V195-L199 PolarHBondContact O-N 2.91Å; S196-L199 PolarHBondContact O-N 3.42Å; L199-D202 PolarHBondContact O-N 3.22Å; L199-S203 PolarHBondContact O-N 2.91Å |
| 200 | S | 81.7 | Confident | 76.3 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 175.1 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | S196 K197 V198 S203 E204 | S196-S200 WeakPolarHBondContact O-CB 3.38Å; S196-S200 PolarHBondContact O-N 3.5Å; S196-S200 PolarHBondContact O-OG 2.92Å; K197-S200 PolarHBondContact O-N 3.27Å; K197-S200 PolarHBondContact O-OG 2.73Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 2.88Å; S200-S203 PolarHBondContact O-N 2.92Å; S200-E204 PolarHBondContact O-N 3.47Å |
| 201 | M | 77 | Confident | 74.3 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.2 | -37.5 | 175.4 | -70.5 | -175.1 | 73.5 | 0 | 0 | 111.7 | K197 V198 E204 R205 | K197-M201 WeakPolarHBondContact O-CG 3.32Å; K197-M201 PolarHBondContact O-N 3.26Å; V198-M201 WeakPolarHBondContact O-CB 3.3Å; V198-M201 PolarHBondContact O-N 3Å; V198-M201 VanDerWaalsContact O-N 3.13Å; M201-E204 PolarHBondContact O-N 3.48Å; M201-R205 VanDerWaalsContact O-CB 3.28Å; M201-R205 WeakPolarHBondContact O-CB 3.37Å; M201-R205 PolarHBondContact O-N 3.49Å |
| 202 | D | 72.3 | Confident | 72.2 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -37.2 | 174.6 | -79.1 | -25.8 | 0 | 0 | 0 | 112 | V198 L199 R205 E206 | V198-D202 PolarHBondContact O-N 2.94Å; L199-D202 PolarHBondContact O-N 3.22Å; D202-R205 WeakPolarHBondContact O-CB 3.39Å; D202-R205 PolarHBondContact O-N 3.18Å; D202-E206 PolarHBondContact O-N 3.24Å |
| 203 | S | 67.4 | Low | 70 | Confident | 59 Ų | 59 | 108.3 Ų | 108.3 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | L199 S200 R205 E206 R207 | L199-S203 PolarHBondContact O-N 2.91Å; S200-S203 PolarHBondContact O-N 2.92Å; S203-R205 VanDerWaalsContact C-N 3.26Å; S203-R205 PolarHBondContact O-N 3.49Å; S203-E206 PolarHBondContact O-N 3.04Å; S203-R207 WeakPolarHBondContact O-CB 3.38Å; S203-R207 PolarHBondContact O-N 3.45Å |
| 204 | E | 63.9 | Low | 67.8 | Low | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.3 | -35.4 | 173.2 | -78.1 | -171.8 | 165.8 | 0 | 0 | 112 | S200 M201 S208 | S200-E204 PolarHBondContact O-N 3.47Å; M201-E204 PolarHBondContact O-N 3.48Å; E204-S208 VanDerWaalsContact O-CB 3.3Å; E204-S208 WeakPolarHBondContact O-CB 3.19Å; E204-S208 PolarHBondContact O-N 3.22Å; E204-S208 PolarHBondContact O-OG 3.36Å |
| 205 | R | 66.2 | Low | 65.4 | Low | 174 Ų | 174 | 112 Ų | 112 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.7 | -43.8 | 174.4 | -165.9 | 179.7 | -163.6 | 179.5 | 3.9 | 111.9 | M201 D202 S203 S208 T209 | M201-R205 VanDerWaalsContact O-CB 3.28Å; M201-R205 WeakPolarHBondContact O-CB 3.37Å; M201-R205 PolarHBondContact O-N 3.49Å; D202-R205 WeakPolarHBondContact O-CB 3.39Å; D202-R205 PolarHBondContact O-N 3.18Å; S203-R205 VanDerWaalsContact C-N 3.26Å; S203-R205 PolarHBondContact O-N 3.49Å; R205-S208 WeakPolarHBondContact CA-OG 3.35Å; R205-S208 PolarHBondContact O-N 3.43Å; R205-S208 PolarHBondContact O-OG 3.35Å; R205-T209 WeakPolarHBondContact O-CB 3.46Å; R205-T209 PolarHBondContact O-N 2.86Å; R205-T209 PolarHBondContact O-OG1 3.44Å |
| 206 | E | 60.5 | Low | 63.3 | Low | 148 Ų | 148 | 111.5 Ų | 111.5 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.4 | -42.4 | 174 | -81.3 | -172 | 149.8 | 0 | 0 | 112 | D202 S203 S208 T209 S210 | D202-E206 PolarHBondContact O-N 3.24Å; S203-E206 PolarHBondContact O-N 3.04Å; E206-S208 PolarHBondContact O-N 3.01Å; E206-T209 PolarHBondContact O-N 3.44Å; E206-S210 PolarHBondContact O-N 2.95Å |
| 207 | R | 57.5 | Low | 61.4 | Low | 176 Ų | 176 | 118.1 Ų | 118.1 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.1 | -38.9 | 176.8 | -135.4 | 179 | -155.8 | 144.9 | 2.4 | 112.6 | S203 S210 L211 | S203-R207 WeakPolarHBondContact O-CB 3.38Å; S203-R207 PolarHBondContact O-N 3.45Å; R207-S210 PolarHBondContact O-OG 3.06Å; R207-L211 PolarHBondContact O-N 3.24Å; R207-L211 VanDerWaalsContact O-N 3.09Å |
| 208 | S | 57.4 | Low | 59.6 | Low | 53 Ų | 53 | 120.7 Ų | 120.7 | 37% | 0.371 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.6 | -32.2 | 175.1 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | E204 R205 E206 N212 | E204-S208 VanDerWaalsContact O-CB 3.3Å; E204-S208 WeakPolarHBondContact O-CB 3.19Å; E204-S208 PolarHBondContact O-N 3.22Å; E204-S208 PolarHBondContact O-OG 3.36Å; R205-S208 WeakPolarHBondContact CA-OG 3.35Å; R205-S208 PolarHBondContact O-N 3.43Å; R205-S208 PolarHBondContact O-OG 3.35Å; E206-S208 PolarHBondContact O-N 3.01Å; S208-N212 WeakPolarHBondContact O-CB 3.39Å; S208-N212 PolarHBondContact O-N 3.47Å; S208-N212 PolarHBondContact O-ND2 2.92Å |
| 209 | T | 55.9 | Low | 58.1 | Low | 88 Ų | 88 | 121.8 Ų | 121.8 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.9 | -31.9 | 174.7 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | R205 E206 | R205-T209 WeakPolarHBondContact O-CB 3.46Å; R205-T209 PolarHBondContact O-N 2.86Å; R205-T209 PolarHBondContact O-OG1 3.44Å; E206-T209 PolarHBondContact O-N 3.44Å |
| 210 | S | 54.3 | Low | 56.6 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.7 | -38.8 | 172.7 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | E206 R207 | E206-S210 PolarHBondContact O-N 2.95Å; R207-S210 PolarHBondContact O-OG 3.06Å |
| 211 | L | 50.7 | Low | 55.2 | Low | 127 Ų | 127 | 123.9 Ų | 123.9 | 67% | 0.665 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.1 | -37.1 | 172.6 | -109.3 | 106 | 0 | 0 | 0 | 112.9 | R207 K213 M214 | R207-L211 PolarHBondContact O-N 3.24Å; R207-L211 VanDerWaalsContact O-N 3.09Å; L211-K213 PolarHBondContact O-N 3.3Å; L211-M214 CarbonylContact O-C 3.56Å; L211-M214 PolarHBondContact O-N 3.27Å |
| 212 | N | 47.6 | Very low | 54.1 | Low | 115 Ų | 115 | 122.2 Ų | 122.2 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -72 | -8.9 | -178.9 | -71.8 | -29.1 | 0 | 0 | 0 | 113.8 | S208 M214 | S208-N212 WeakPolarHBondContact O-CB 3.39Å; S208-N212 PolarHBondContact O-N 3.47Å; S208-N212 PolarHBondContact O-ND2 2.92Å; N212-M214 PolarHBondContact O-N 2.93Å |
| 213 | K | 45.5 | Very low | 53.1 | Low | 198 Ų | 198 | 124.9 Ų | 124.9 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -73.7 | -9.2 | 168 | -108.8 | -175.4 | 179.2 | -179.5 | 0 | 112.9 | L211 | L211-K213 PolarHBondContact O-N 3.3Š|
| 214 | M | 45.3 | Very low | 52.7 | Low | 169 Ų | 169 | 131.8 Ų | 131.8 | 83% | 0.833 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -141.5 | 39.7 | -172.2 | -158.2 | 162.5 | 166.4 | 0 | 0 | 112.1 | L211 N212 | L211-M214 CarbonylContact O-C 3.56Å; L211-M214 PolarHBondContact O-N 3.27Å; N212-M214 PolarHBondContact O-N 2.93Å |
| 215 | D | 37.9 | Very low | 52.4 | Low | 146 Ų | 146 | 132.6 Ų | 132.6 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -179.8 | 131.3 | 142.9 | -108 | -25.6 | 0 | 0 | 0 | 113.3 | ||
| 216 | G | 43.4 | Very low | 52.2 | Low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | trans | 70.5 | 65.2 | 138 | 0 | 0 | 0 | 0 | 0 | 117.4 | I218 | G216-I218 PolarHBondContact O-N 3.15Š| ||
| 217 | F | 48.7 | Very low | 52.4 | Low | 200 Ų | 200 | 126.8 Ų | 126.8 | 88% | 0.877 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -47.4 | 134.3 | 149.9 | -133.7 | -109.7 | 0 | 0 | 0 | 108.8 | ||
| 218 | I | 50.3 | Low | 52.9 | Low | 161 Ų | 161 | 122.3 Ų | 122.3 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 89.4 | 70.3 | 169.8 | -40.8 | 167.8 | 0 | 0 | 0 | 116.6 | G216 | G216-I218 PolarHBondContact O-N 3.15Š|
| 219 | S | 54.7 | Low | 53.6 | Low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -166.2 | -26.5 | 144 | 75.6 | 0 | 0 | 0 | 0 | 115.7 | G221 | S219-G221 PolarHBondContact O-N 3.48Š|
| 220 | K | 49.7 | Very low | 54.4 | Low | 170 Ų | 170 | 127 Ų | 127 | 74% | 0.739 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75 | -16.1 | -171.1 | -84.4 | 174.4 | 178.1 | 165.6 | 0 | 116.5 | ||
| 221 | G | 53.2 | Low | 55.4 | Low | 43 Ų | 43 | 130.8 Ų | 130.8 | 44% | 0.443 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.3 | -49.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S219 L223 R224 F225 | S219-G221 PolarHBondContact O-N 3.48Å; G221-L223 VanDerWaalsContact C-N 3.32Å; G221-L223 PolarHBondContact O-N 2.98Å; G221-R224 PolarHBondContact O-N 3.47Å; G221-F225 WeakPolarHBondContact O-CD2 3.48Å; G221-F225 PolarHBondContact O-N 3.05Å |
| 222 | A | 53.2 | Low | 56.7 | Low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.8 | -32.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S226 | A222-S226 PolarHBondContact O-N 3.43Å |
| 223 | L | 52.9 | Low | 58.3 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -79.4 | -26.8 | -178.1 | -156.9 | 74.1 | 0 | 0 | 0 | 113.5 | G221 S226 K227 | G221-L223 VanDerWaalsContact C-N 3.32Å; G221-L223 PolarHBondContact O-N 2.98Å; L223-S226 PolarHBondContact O-OG 3.05Å; L223-S226 VanDerWaalsContact O-OG 3.09Å; L223-K227 PolarHBondContact O-N 3Å |
| 224 | R | 58.5 | Low | 60 | Low | 204 Ų | 204 | 122.2 Ų | 122.2 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.3 | -38.7 | 175.5 | -91.5 | -174.4 | -174.7 | 165.7 | 1 | 112.2 | G221 S228 | G221-R224 PolarHBondContact O-N 3.47Å; R224-S228 PolarHBondContact O-N 2.89Å |
| 225 | F | 57.6 | Low | 61.8 | Low | 151 Ų | 151 | 121.5 Ų | 121.5 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.9 | -38.9 | 177.9 | -74.5 | -70.8 | 0 | 0 | 0 | 111.9 | G221 S228 I229 | G221-F225 WeakPolarHBondContact O-CD2 3.48Å; G221-F225 PolarHBondContact O-N 3.05Å; F225-S228 PolarHBondContact O-N 3.3Å; F225-I229 WeakPolarHBondContact O-CD1 3.45Å; F225-I229 VanDerWaalsContact O-CG1 3.32Å; F225-I229 WeakPolarHBondContact O-CG1 3.45Å; F225-I229 PolarHBondContact O-N 3.36Å |
| 226 | S | 61 | Low | 64 | Low | 64 Ų | 64 | 117 Ų | 117 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.2 | -39.4 | 177 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | A222 L223 S228 I229 F230 | A222-S226 PolarHBondContact O-N 3.43Å; L223-S226 PolarHBondContact O-OG 3.05Å; L223-S226 VanDerWaalsContact O-OG 3.09Å; S226-S228 PolarHBondContact O-N 3.41Å; S226-I229 PolarHBondContact O-N 3.4Å; S226-F230 WeakPolarHBondContact O-CB 3.35Å; S226-F230 PolarHBondContact O-N 2.97Å |
| 227 | K | 66 | Low | 66.1 | Low | 137 Ų | 137 | 117.3 Ų | 117.3 | 60% | 0.596 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.1 | -32.5 | 179.3 | -160.3 | 170.6 | -174.7 | 171.2 | 0 | 112.9 | L223 R231 | L223-K227 PolarHBondContact O-N 3Å; K227-R231 WeakPolarHBondContact O-CG 3.37Å; K227-R231 PolarHBondContact O-N 3.45Å |
| 228 | S | 67.3 | Low | 67.9 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 57% | 0.573 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.1 | -45.7 | 175.8 | -169 | 0 | 0 | 0 | 0 | 111.8 | R224 F225 S226 F230 R231 S232 | R224-S228 PolarHBondContact O-N 2.89Å; F225-S228 PolarHBondContact O-N 3.3Å; S226-S228 PolarHBondContact O-N 3.41Å; S228-F230 PolarHBondContact O-N 2.86Å; S228-R231 PolarHBondContact O-N 3.49Å; S228-S232 PolarHBondContact O-N 3.49Å |
| 229 | I | 72.2 | Confident | 69.7 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 179.3 | -65.1 | 166.8 | 0 | 0 | 0 | 110.7 | F225 S226 R231 S232 L233 | F225-I229 WeakPolarHBondContact O-CD1 3.45Å; F225-I229 VanDerWaalsContact O-CG1 3.32Å; F225-I229 WeakPolarHBondContact O-CG1 3.45Å; F225-I229 PolarHBondContact O-N 3.36Å; S226-I229 PolarHBondContact O-N 3.4Å; I229-R231 PolarHBondContact O-N 3.07Å; I229-S232 PolarHBondContact O-N 3.4Å; I229-L233 HydrophobicContact CG2-CD1 3.97Å; I229-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 WeakPolarHBondContact O-CG 3.45Å; I229-L233 PolarHBondContact O-N 2.82Å |
| 230 | F | 72.9 | Confident | 71.2 | Confident | 135 Ų | 135 | 112.6 Ų | 112.6 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -38.1 | 179.5 | -167.4 | -103 | 0 | 0 | 0 | 113.1 | S226 S228 L233 L234 | S226-F230 WeakPolarHBondContact O-CB 3.35Å; S226-F230 PolarHBondContact O-N 2.97Å; S228-F230 PolarHBondContact O-N 2.86Å; F230-L233 PolarHBondContact O-N 3.2Å; F230-L234 HydrophobicContact CD1-CD1 3.72Å; F230-L234 HydrophobicContact CD1-CG 4.5Å; F230-L234 HydrophobicContact CE1-CD1 3.39Å; F230-L234 HydrophobicContact CE1-CG 4.18Å; F230-L234 HydrophobicContact CZ-CD1 4.14Å; F230-L234 PolarHBondContact O-N 3.03Å |
| 231 | R | 75.8 | Confident | 73 | Confident | 159 Ų | 159 | 110 Ų | 110 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.3 | -43.7 | 175 | -77.8 | -179.1 | 175.1 | -173.1 | -3.2 | 111.9 | K227 S228 I229 L233 L234 F235 | K227-R231 WeakPolarHBondContact O-CG 3.37Å; K227-R231 PolarHBondContact O-N 3.45Å; S228-R231 PolarHBondContact O-N 3.49Å; I229-R231 PolarHBondContact O-N 3.07Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.33Å; R231-L234 PolarHBondContact O-N 3.44Å; R231-F235 VanDerWaalsContact O-CD2 3.31Å; R231-F235 WeakPolarHBondContact O-CD2 3.47Å; R231-F235 PolarHBondContact O-N 2.71Å |
| 232 | S | 77.8 | Confident | 74.4 | Confident | 74 Ų | 74 | 115.9 Ų | 115.9 | 52% | 0.517 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.3 | -40.5 | 178.2 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | S228 I229 F235 S236 | S228-S232 PolarHBondContact O-N 3.49Å; I229-S232 PolarHBondContact O-N 3.4Å; S232-F235 PolarHBondContact O-N 2.78Å; S232-S236 WeakPolarHBondContact O-CB 3.47Å; S232-S236 PolarHBondContact O-N 2.91Å; S232-S236 PolarHBondContact O-OG 3.23Å |
| 233 | L | 80.4 | Confident | 75.9 | Confident | 103 Ų | 103 | 115.9 Ų | 115.9 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 176.5 | -70.5 | 172 | 0 | 0 | 0 | 112 | I229 F230 R231 S236 T237 | I229-L233 HydrophobicContact CG2-CD1 3.97Å; I229-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 WeakPolarHBondContact O-CG 3.45Å; I229-L233 PolarHBondContact O-N 2.82Å; F230-L233 PolarHBondContact O-N 3.2Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.33Å; L233-S236 PolarHBondContact O-N 3.21Å; L233-T237 WeakPolarHBondContact O-CG2 3.29Å; L233-T237 PolarHBondContact O-N 2.61Å; L233-T237 PolarHBondContact O-OG1 3.4Å |
| 234 | L | 82.1 | Confident | 77.4 | Confident | 82 Ų | 82 | 114.3 Ų | 114.3 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.6 | -42.1 | 176.4 | -89.5 | 168.8 | 0 | 0 | 0 | 113.3 | F230 R231 S236 T237 L238 | F230-L234 HydrophobicContact CD1-CD1 3.72Å; F230-L234 HydrophobicContact CD1-CG 4.5Å; F230-L234 HydrophobicContact CE1-CD1 3.39Å; F230-L234 HydrophobicContact CE1-CG 4.18Å; F230-L234 HydrophobicContact CZ-CD1 4.14Å; F230-L234 PolarHBondContact O-N 3.03Å; R231-L234 PolarHBondContact O-N 3.44Å; L234-S236 VanDerWaalsContact C-N 3.34Å; L234-T237 WeakPolarHBondContact CA-OG1 3.32Å; L234-T237 PolarHBondContact O-N 3.16Å; L234-T237 PolarHBondContact O-OG1 3.34Å; L234-L238 WeakPolarHBondContact O-CG 3.33Å; L234-L238 PolarHBondContact O-N 3.48Å; L234-L238 VanDerWaalsContact O-N 3.09Å |
| 235 | F | 82.8 | Confident | 78.6 | Confident | 154 Ų | 154 | 105.9 Ų | 105.9 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -40.9 | 176.2 | -88.3 | -75.3 | 0 | 0 | 0 | 111.8 | R231 S232 F239 | R231-F235 VanDerWaalsContact O-CD2 3.31Å; R231-F235 WeakPolarHBondContact O-CD2 3.47Å; R231-F235 PolarHBondContact O-N 2.71Å; S232-F235 PolarHBondContact O-N 2.78Å; F235-F239 WeakPolarHBondContact O-CB 3.32Å; F235-F239 PolarHBondContact O-N 3.42Å |
| 236 | S | 84 | Confident | 79.8 | Confident | 53 Ų | 53 | 105.6 Ų | 105.6 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | S232 L233 L234 F239 F240 | S232-S236 WeakPolarHBondContact O-CB 3.47Å; S232-S236 PolarHBondContact O-N 2.91Å; S232-S236 PolarHBondContact O-OG 3.23Å; L233-S236 PolarHBondContact O-N 3.21Å; L234-S236 VanDerWaalsContact C-N 3.34Å; S236-F239 WeakPolarHBondContact O-CB 3.48Å; S236-F239 PolarHBondContact O-N 3.18Å; S236-F240 WeakPolarHBondContact O-CD2 3.45Å; S236-F240 PolarHBondContact O-N 2.87Å |
| 237 | T | 86.2 | Confident | 80.4 | Confident | 72 Ų | 72 | 108.8 Ų | 108.8 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 179 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | L233 L234 F239 F240 I241 | L233-T237 WeakPolarHBondContact O-CG2 3.29Å; L233-T237 PolarHBondContact O-N 2.61Å; L233-T237 PolarHBondContact O-OG1 3.4Å; L234-T237 WeakPolarHBondContact CA-OG1 3.32Å; L234-T237 PolarHBondContact O-N 3.16Å; L234-T237 PolarHBondContact O-OG1 3.34Å; T237-F239 VanDerWaalsContact C-N 3.3Å; T237-F239 PolarHBondContact O-N 3Å; T237-F240 PolarHBondContact O-N 3.24Å; T237-I241 WeakPolarHBondContact O-CG1 3.36Å; T237-I241 PolarHBondContact O-N 3.46Å |
| 238 | L | 86.9 | Confident | 80.9 | Confident | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | 175 | -73.3 | 172.6 | 0 | 0 | 0 | 112.2 | L234 I241 R242 | L234-L238 WeakPolarHBondContact O-CG 3.33Å; L234-L238 PolarHBondContact O-N 3.48Å; L234-L238 VanDerWaalsContact O-N 3.09Å; L238-I241 PolarHBondContact O-N 2.83Å; L238-R242 WeakPolarHBondContact O-CB 3.4Å; L238-R242 PolarHBondContact O-N 3.49Å |
| 239 | F | 87.9 | Confident | 80.8 | Confident | 128 Ų | 128 | 113 Ų | 113 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 175.2 | -176.7 | -99.3 | 0 | 0 | 0 | 111.6 | F235 S236 T237 R242 L243 | F235-F239 WeakPolarHBondContact O-CB 3.32Å; F235-F239 PolarHBondContact O-N 3.42Å; S236-F239 WeakPolarHBondContact O-CB 3.48Å; S236-F239 PolarHBondContact O-N 3.18Å; T237-F239 VanDerWaalsContact C-N 3.3Å; T237-F239 PolarHBondContact O-N 3Å; F239-R242 PolarHBondContact O-N 2.87Å; F239-L243 HydrophobicContact CE1-CD1 4.08Å; F239-L243 HydrophobicContact CZ-CD1 4Å; F239-L243 WeakPolarHBondContact O-CB 3.28Å; F239-L243 PolarHBondContact O-N 3.21Å |
| 240 | F | 86.5 | Confident | 79.9 | Confident | 127 Ų | 127 | 118.5 Ų | 118.5 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 176.9 | -75.4 | -66.4 | 0 | 0 | 0 | 113.1 | S236 T237 R242 L243 L244 | S236-F240 WeakPolarHBondContact O-CD2 3.45Å; S236-F240 PolarHBondContact O-N 2.87Å; T237-F240 PolarHBondContact O-N 3.24Å; F240-R242 VanDerWaalsContact C-N 3.33Å; F240-L243 PolarHBondContact O-N 3.04Å; F240-L244 WeakPolarHBondContact O-CB 3.5Å; F240-L244 PolarHBondContact O-N 3Å |
| 241 | I | 87.3 | Confident | 80.2 | Confident | 116 Ų | 116 | 117.7 Ų | 117.7 | 60% | 0.595 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.2 | -45.1 | 174.4 | -68.8 | 165.1 | 0 | 0 | 0 | 110.2 | T237 L238 L243 L244 G245 | T237-I241 WeakPolarHBondContact O-CG1 3.36Å; T237-I241 PolarHBondContact O-N 3.46Å; L238-I241 PolarHBondContact O-N 2.83Å; I241-L243 VanDerWaalsContact C-N 3.34Å; I241-L243 PolarHBondContact O-N 2.87Å; I241-L244 PolarHBondContact O-N 3.2Å; I241-G245 PolarHBondContact O-N 3.33Å |
| 242 | R | 84 | Confident | 80.5 | Confident | 167 Ų | 167 | 115.5 Ų | 115.5 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 177.7 | -170.4 | 172.1 | -179.8 | 166.7 | -0.8 | 111.6 | L238 F239 F240 G245 Y246 | L238-R242 WeakPolarHBondContact O-CB 3.4Å; L238-R242 PolarHBondContact O-N 3.49Å; F239-R242 PolarHBondContact O-N 2.87Å; F240-R242 VanDerWaalsContact C-N 3.33Å; R242-G245 PolarHBondContact O-N 3.44Å; R242-Y246 HydrophobicContact CG-CD2 4.22Å; R242-Y246 HydrophobicContact CG-CE2 3.68Å; R242-Y246 PolarHBondContact NH2-OH 3Å; R242-Y246 WeakPolarHBondContact O-CD2 3.33Å; R242-Y246 PolarHBondContact O-N 2.98Å; R242-Y246 VanDerWaalsContact O-N 3.14Å |
| 243 | L | 84.4 | Confident | 80.6 | Confident | 80 Ų | 80 | 117.8 Ų | 117.8 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -43.2 | 176.4 | -149.8 | 95.3 | 0 | 0 | 0 | 112.1 | F239 F240 I241 G245 Y246 L247 | F239-L243 HydrophobicContact CE1-CD1 4.08Å; F239-L243 HydrophobicContact CZ-CD1 4Å; F239-L243 WeakPolarHBondContact O-CB 3.28Å; F239-L243 PolarHBondContact O-N 3.21Å; F240-L243 PolarHBondContact O-N 3.04Å; I241-L243 VanDerWaalsContact C-N 3.34Å; I241-L243 PolarHBondContact O-N 2.87Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.31Å; L243-Y246 PolarHBondContact O-N 3.43Å; L243-L247 PolarHBondContact O-N 2.99Å; L243-L247 VanDerWaalsContact O-N 3.15Å |
| 244 | L | 84.1 | Confident | 80.6 | Confident | 102 Ų | 102 | 118.7 Ų | 118.7 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -38.9 | 174.1 | -110.2 | 82.8 | 0 | 0 | 0 | 111.5 | F240 I241 Y246 L247 I248 | F240-L244 WeakPolarHBondContact O-CB 3.5Å; F240-L244 PolarHBondContact O-N 3Å; I241-L244 PolarHBondContact O-N 3.2Å; L244-Y246 VanDerWaalsContact C-N 3.33Å; L244-Y246 PolarHBondContact O-N 3.12Å; L244-L247 PolarHBondContact O-N 3.23Å; L244-L247 VanDerWaalsContact O-N 3.08Å; L244-I248 HydrophobicContact CD2-CD1 4.48Å; L244-I248 VanDerWaalsContact O-CG1 3.32Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 3.12Å |
| 245 | G | 82.9 | Confident | 80.5 | Confident | 28 Ų | 28 | 121 Ų | 121 | 29% | 0.289 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.7 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I241 R242 L243 L247 I248 F249 | I241-G245 PolarHBondContact O-N 3.33Å; R242-G245 PolarHBondContact O-N 3.44Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 3.31Å; G245-L247 VanDerWaalsContact C-N 3.26Å; G245-L247 PolarHBondContact O-N 3.31Å; G245-I248 PolarHBondContact O-N 2.92Å; G245-F249 WeakPolarHBondContact O-CB 3.49Å; G245-F249 WeakPolarHBondContact O-CD2 3.44Å; G245-F249 PolarHBondContact O-N 3.3Å; G245-F249 VanDerWaalsContact O-N 3.12Å |
| 246 | Y | 82.8 | Confident | 80.4 | Confident | 145 Ų | 145 | 118.8 Ų | 118.8 | 57% | 0.569 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.3 | -27.4 | 174.9 | -72.6 | -63.7 | 0 | 0 | 0 | 113.6 | R242 L243 L244 H250 | R242-Y246 HydrophobicContact CG-CD2 4.22Å; R242-Y246 HydrophobicContact CG-CE2 3.68Å; R242-Y246 PolarHBondContact NH2-OH 3Å; R242-Y246 WeakPolarHBondContact O-CD2 3.33Å; R242-Y246 PolarHBondContact O-N 2.98Å; R242-Y246 VanDerWaalsContact O-N 3.14Å; L243-Y246 PolarHBondContact O-N 3.43Å; L244-Y246 VanDerWaalsContact C-N 3.33Å; L244-Y246 PolarHBondContact O-N 3.12Å; Y246-H250 VanDerWaalsContact O-CB 3.26Å; Y246-H250 WeakPolarHBondContact O-CB 3.47Å |
| 247 | L | 74.4 | Confident | 80.1 | Confident | 131 Ų | 131 | 123.5 Ų | 123.5 | 69% | 0.686 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -85.7 | -21.7 | -178.4 | -131.2 | 137.6 | 0 | 0 | 0 | 113.5 | L243 L244 G245 | L243-L247 PolarHBondContact O-N 2.99Å; L243-L247 VanDerWaalsContact O-N 3.15Å; L244-L247 PolarHBondContact O-N 3.23Å; L244-L247 VanDerWaalsContact O-N 3.08Å; G245-L247 VanDerWaalsContact C-N 3.26Å; G245-L247 PolarHBondContact O-N 3.31Å |
| 248 | I | 76.4 | Confident | 79.7 | Confident | 120 Ų | 120 | 127.5 Ų | 127.5 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -93.8 | -31.8 | 179.5 | -66 | 167 | 0 | 0 | 0 | 111.4 | L244 G245 | L244-I248 HydrophobicContact CD2-CD1 4.48Å; L244-I248 VanDerWaalsContact O-CG1 3.32Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 3.12Å; G245-I248 PolarHBondContact O-N 2.92Å |
| 249 | F | 65.5 | Low | 79.1 | Confident | 186 Ų | 186 | 129.3 Ų | 129.3 | 82% | 0.816 | 61% | 0.608 | S | S | * | * | trans | -99.7 | 10.5 | -176.4 | -74.5 | -82.5 | 0 | 0 | 0 | 114.3 | G245 | G245-F249 WeakPolarHBondContact O-CB 3.49Å; G245-F249 WeakPolarHBondContact O-CD2 3.44Å; G245-F249 PolarHBondContact O-N 3.3Å; G245-F249 VanDerWaalsContact O-N 3.12Å | ||
| 250 | H | 52.6 | Low | 78.3 | Confident | 221 Ų | 221 | 129.4 Ų | 129.4 | 100% | 1.023 | 61% | 0.612 | S | S | * | * | trans | -136.8 | 0 | 176.8 | -146.4 | -46.2 | 0 | 0 | 0 | 111.4 | Y246 | Y246-H250 VanDerWaalsContact O-CB 3.26Å; Y246-H250 WeakPolarHBondContact O-CB 3.47Å |
Retrieved 250 of 250 residues in 68.1 ms
(Link to these results)