| 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 | 43.6 | Very low | 65 | Low | 229 Ų | 229 | 135.8 Ų | 135.8 | 100% | 1.128 | 69% | 0.689 | S | S | * | * | 0 | 101.2 | 0 | -82 | -178.8 | 162.8 | 0 | 0 | 107.6 | N3 | M1-N3 PolarHBondContact O-N 2.87Š| |||
| 2 | Y | 46 | Very low | 66.3 | Low | 239 Ų | 239 | 128.8 Ų | 128.8 | 94% | 0.937 | 67% | 0.667 | S | S | * | * | trans | -77.4 | 107.6 | 175.1 | -84.6 | -88.6 | 0 | 0 | 0 | 107.6 | A4 | Y2-A4 PolarHBondContact O-N 3.48Š| ||
| 3 | N | 52.5 | Low | 67.7 | Low | 149 Ų | 149 | 122.5 Ų | 122.5 | 80% | 0.797 | 65% | 0.645 | S | S | * | * | trans | -67.8 | 98.8 | 175.1 | -70.5 | -22.1 | 0 | 0 | 0 | 108.1 | M1 E5 | M1-N3 PolarHBondContact O-N 2.87Å; N3-E5 PolarHBondContact O-N 3.43Å | ||
| 4 | A | 59.3 | Low | 69 | Low | 92 Ų | 92 | 115.9 Ų | 115.9 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | trans | -71.4 | 96.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y2 L6 | Y2-A4 PolarHBondContact O-N 3.48Å; A4-L6 PolarHBondContact O-N 3.2Å | ||
| 5 | E | 60.1 | Low | 70.2 | Confident | 122 Ų | 122 | 111.6 Ų | 111.6 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | trans | -57.3 | 122.8 | 170.4 | -68.6 | 175.7 | 159.4 | 0 | 0 | 109.4 | N3 R10 | N3-E5 PolarHBondContact O-N 3.43Å; E5-R10 IonicContact OE2-CZ 3.03Å; E5-R10 IonicContact OE2-NE 2.92Å; E5-R10 PolarHBondContact OE2-NE 3.41Å; E5-R10 IonicContact OE2-NH2 3.37Å; E5-R10 PolarHBondContact OE2-NH2 3.47Å | ||
| 6 | L | 72.1 | Confident | 71.2 | Confident | 113 Ų | 113 | 110.6 Ų | 110.6 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | trans | -64.9 | 139.8 | 176.4 | -70 | 157.9 | 0 | 0 | 0 | 109.3 | A4 S8 D9 R10 | A4-L6 PolarHBondContact O-N 3.2Å; L6-S8 WeakPolarHBondContact CB-OG 3.42Å; L6-S8 PolarHBondContact O-N 2.95Å; L6-S8 VanDerWaalsContact O-N 3.11Å; L6-D9 WeakPolarHBondContact O-CB 3.16Å; L6-D9 PolarHBondContact O-N 2.85Å; L6-R10 PolarHBondContact O-N 3.01Å | ||
| 7 | L | 71.5 | Confident | 72.2 | Confident | 132 Ų | 132 | 110.9 Ų | 110.9 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56 | -31.5 | 179.8 | -162.6 | 83.5 | 0 | 0 | 0 | 112.2 | D9 R10 I11 | L7-D9 VanDerWaalsContact C-N 3.31Å; L7-D9 PolarHBondContact O-N 3.39Å; L7-R10 PolarHBondContact O-N 3.3Å; L7-I11 HydrophobicContact CD2-CD1 4.5Å; L7-I11 HydrophobicContact CG-CD1 4.41Å; L7-I11 WeakPolarHBondContact O-CG1 3.1Å; L7-I11 PolarHBondContact O-N 2.68Å; L7-I11 VanDerWaalsContact O-N 3.15Å |
| 8 | S | 73.3 | Confident | 73.2 | Confident | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59 | -39.4 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | L6 I11 A12 | L6-S8 WeakPolarHBondContact CB-OG 3.42Å; L6-S8 PolarHBondContact O-N 2.95Å; L6-S8 VanDerWaalsContact O-N 3.11Å; S8-I11 PolarHBondContact O-N 3.35Å; S8-A12 WeakPolarHBondContact O-CB 3.15Å; S8-A12 PolarHBondContact O-N 3.38Å |
| 9 | D | 77.3 | Confident | 74 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -76 | -33.8 | -175.6 | -60.2 | -13.7 | 0 | 0 | 0 | 110.6 | L6 L7 A12 A13 | L6-D9 WeakPolarHBondContact O-CB 3.16Å; L6-D9 PolarHBondContact O-N 2.85Å; L7-D9 VanDerWaalsContact C-N 3.31Å; L7-D9 PolarHBondContact O-N 3.39Å; D9-A12 PolarHBondContact O-N 2.9Å; D9-A13 VanDerWaalsContact O-CB 3.28Å; D9-A13 WeakPolarHBondContact O-CB 3.3Å; D9-A13 PolarHBondContact O-N 3.48Å |
| 10 | R | 77.7 | Confident | 74.8 | Confident | 146 Ų | 146 | 118.8 Ų | 118.8 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66 | -40.8 | 171.9 | -69.4 | -175.7 | 173.9 | 175.9 | -0.5 | 112.6 | E5 L6 L7 A14 | E5-R10 IonicContact OE2-CZ 3.03Å; E5-R10 IonicContact OE2-NE 2.92Å; E5-R10 PolarHBondContact OE2-NE 3.41Å; E5-R10 IonicContact OE2-NH2 3.37Å; E5-R10 PolarHBondContact OE2-NH2 3.47Å; L6-R10 PolarHBondContact O-N 3.01Å; L7-R10 PolarHBondContact O-N 3.3Å; R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.19Å |
| 11 | I | 81.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 117 Ų | 117 | 54% | 0.544 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67 | -41.3 | 176.4 | -66.4 | 165.8 | 0 | 0 | 0 | 110.3 | L7 S8 A14 S15 | L7-I11 HydrophobicContact CD2-CD1 4.5Å; L7-I11 HydrophobicContact CG-CD1 4.41Å; L7-I11 WeakPolarHBondContact O-CG1 3.1Å; L7-I11 PolarHBondContact O-N 2.68Å; L7-I11 VanDerWaalsContact O-N 3.15Å; S8-I11 PolarHBondContact O-N 3.35Å; I11-A14 PolarHBondContact O-N 3.36Å; I11-S15 WeakPolarHBondContact O-CB 3.45Å; I11-S15 PolarHBondContact O-N 3.24Å |
| 12 | A | 81.4 | Confident | 77.8 | Confident | 52 Ų | 52 | 114 Ų | 114 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S8 D9 S15 L16 | S8-A12 WeakPolarHBondContact O-CB 3.15Å; S8-A12 PolarHBondContact O-N 3.38Å; D9-A12 PolarHBondContact O-N 2.9Å; A12-S15 WeakPolarHBondContact O-CB 3.49Å; A12-S15 PolarHBondContact O-N 3.15Å; A12-L16 PolarHBondContact O-N 2.95Å |
| 13 | A | 84.4 | Confident | 79.9 | Confident | 46 Ų | 46 | 106.4 Ų | 106.4 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D9 S15 L16 E17 | D9-A13 VanDerWaalsContact O-CB 3.28Å; D9-A13 WeakPolarHBondContact O-CB 3.3Å; D9-A13 PolarHBondContact O-N 3.48Å; A13-S15 VanDerWaalsContact C-N 3.29Å; A13-S15 PolarHBondContact O-N 3.21Å; A13-L16 WeakPolarHBondContact O-CB 3.4Å; A13-L16 PolarHBondContact O-N 3.08Å; A13-L16 VanDerWaalsContact O-N 3.16Å; A13-E17 WeakPolarHBondContact O-CG 3.43Å; A13-E17 PolarHBondContact O-N 3.09Å |
| 14 | A | 86.1 | Confident | 81.6 | Confident | 31 Ų | 31 | 104 Ų | 104 | 26% | 0.256 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R10 I11 R18 | R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 3.19Å; I11-A14 PolarHBondContact O-N 3.36Å; A14-R18 WeakPolarHBondContact O-CB 3.38Å; A14-R18 VanDerWaalsContact O-CG 3.27Å; A14-R18 WeakPolarHBondContact O-CG 3.48Å; A14-R18 PolarHBondContact O-N 3.25Å |
| 15 | S | 86.8 | Confident | 83 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | I11 A12 A13 R18 R19 | I11-S15 WeakPolarHBondContact O-CB 3.45Å; I11-S15 PolarHBondContact O-N 3.24Å; A12-S15 WeakPolarHBondContact O-CB 3.49Å; A12-S15 PolarHBondContact O-N 3.15Å; A13-S15 VanDerWaalsContact C-N 3.29Å; A13-S15 PolarHBondContact O-N 3.21Å; S15-R18 PolarHBondContact O-N 2.94Å; S15-R19 WeakPolarHBondContact O-CG 3.47Å; S15-R19 PolarHBondContact O-N 3.4Å |
| 16 | L | 86.3 | Confident | 84.3 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 175.2 | -93.1 | 164.9 | 0 | 0 | 0 | 112.1 | A12 A13 R19 R20 | A12-L16 PolarHBondContact O-N 2.95Å; A13-L16 WeakPolarHBondContact O-CB 3.4Å; A13-L16 PolarHBondContact O-N 3.08Å; A13-L16 VanDerWaalsContact O-N 3.16Å; L16-R19 PolarHBondContact O-N 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.31Å; L16-R20 PolarHBondContact O-N 2.91Å |
| 17 | E | 88.4 | Confident | 85.1 | Confident | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.7 | -75.3 | 179.7 | 174.4 | 0 | 0 | 111.8 | A13 R19 R20 N21 | A13-E17 WeakPolarHBondContact O-CG 3.43Å; A13-E17 PolarHBondContact O-N 3.09Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 2.89Å; E17-R20 PolarHBondContact O-N 2.84Å; E17-N21 WeakPolarHBondContact O-CB 3.35Å; E17-N21 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-ND2 2.86Å; E17-N21 PolarHBondContact O-OD1 2.92Å |
| 18 | R | 89.3 | Confident | 85.8 | Confident | 148 Ų | 148 | 103.4 Ų | 103.4 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.6 | -40.2 | 173.3 | -75.7 | 179.4 | -132 | 163.6 | 0.2 | 112.2 | A14 S15 R22 | A14-R18 WeakPolarHBondContact O-CB 3.38Å; A14-R18 VanDerWaalsContact O-CG 3.27Å; A14-R18 WeakPolarHBondContact O-CG 3.48Å; A14-R18 PolarHBondContact O-N 3.25Å; S15-R18 PolarHBondContact O-N 2.94Å; R18-R22 WeakPolarHBondContact O-CB 3.48Å; R18-R22 VanDerWaalsContact O-CG 3.24Å; R18-R22 WeakPolarHBondContact O-CG 3.37Å; R18-R22 PolarHBondContact O-N 3.47Å |
| 19 | R | 88.9 | Confident | 86.3 | Confident | 173 Ų | 173 | 107 Ų | 107 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 176.3 | -76.1 | -178.5 | -179.4 | -171.4 | 0.2 | 111.4 | S15 L16 E17 N21 R22 E23 | S15-R19 WeakPolarHBondContact O-CG 3.47Å; S15-R19 PolarHBondContact O-N 3.4Å; L16-R19 PolarHBondContact O-N 3.32Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 2.89Å; R19-N21 VanDerWaalsContact C-N 3.35Å; R19-N21 PolarHBondContact O-N 3.34Å; R19-R22 PolarHBondContact O-N 3.49Å; R19-E23 PolarHBondContact O-N 2.94Å |
| 20 | R | 90.3 | Very high | 86.7 | Confident | 169 Ų | 169 | 106.2 Ų | 106.2 | 64% | 0.638 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59 | -45.4 | 175.8 | -74.3 | 179 | 176.5 | 175.6 | -1.1 | 111.6 | L16 E17 R22 E23 M24 | L16-R20 WeakPolarHBondContact O-CG 3.31Å; L16-R20 PolarHBondContact O-N 2.91Å; E17-R20 PolarHBondContact O-N 2.84Å; R20-R22 PolarHBondContact O-N 3.37Å; R20-E23 PolarHBondContact O-N 2.97Å; R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 3.18Å |
| 21 | N | 90.8 | Very high | 87.2 | Confident | 81 Ų | 81 | 107 Ų | 107 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 179.1 | -68 | -10.9 | 0 | 0 | 0 | 112.2 | E17 R19 M24 Q25 | E17-N21 WeakPolarHBondContact O-CB 3.35Å; E17-N21 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-ND2 2.86Å; E17-N21 PolarHBondContact O-OD1 2.92Å; R19-N21 VanDerWaalsContact C-N 3.35Å; R19-N21 PolarHBondContact O-N 3.34Å; N21-M24 PolarHBondContact O-N 3.48Å; N21-M24 WeakPolarHBondContact OD1-CE 3.41Å; N21-Q25 VanDerWaalsContact O-CG 3.28Å; N21-Q25 WeakPolarHBondContact O-CG 3.45Å; N21-Q25 PolarHBondContact O-N 3.29Å |
| 22 | R | 90.1 | Very high | 87.5 | Confident | 165 Ų | 165 | 105.5 Ų | 105.5 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 173.6 | -74.8 | 173.7 | -172.4 | 170.2 | 1.4 | 112.1 | R18 R19 R20 R26 | R18-R22 WeakPolarHBondContact O-CB 3.48Å; R18-R22 VanDerWaalsContact O-CG 3.24Å; R18-R22 WeakPolarHBondContact O-CG 3.37Å; R18-R22 PolarHBondContact O-N 3.47Å; R19-R22 PolarHBondContact O-N 3.49Å; R20-R22 PolarHBondContact O-N 3.37Å; R22-R26 VanDerWaalsContact O-CB 3.28Å; R22-R26 WeakPolarHBondContact O-CB 3.47Å; R22-R26 PolarHBondContact O-N 2.91Å |
| 23 | E | 90.7 | Very high | 87.7 | Confident | 80 Ų | 80 | 105.7 Ų | 105.7 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 178.6 | -162.4 | 60.4 | -148.8 | 0 | 0 | 111.1 | R19 R20 R26 Q27 | R19-E23 PolarHBondContact O-N 2.94Å; R20-E23 PolarHBondContact O-N 2.97Å; E23-R26 WeakPolarHBondContact O-CB 3.5Å; E23-R26 PolarHBondContact O-N 2.93Å; E23-R26 VanDerWaalsContact O-N 3.15Å; E23-R26 IonicContact OE1-NH1 3.57Å; E23-R26 PolarHBondContact OE1-NH1 3.42Å; E23-R26 IonicContact OE2-NH1 2.91Å; E23-Q27 WeakPolarHBondContact O-CB 3.33Å; E23-Q27 VanDerWaalsContact O-CG 3.27Å; E23-Q27 WeakPolarHBondContact O-CG 3.38Å; E23-Q27 PolarHBondContact O-N 3.42Å |
| 24 | M | 88.8 | Confident | 87.8 | Confident | 98 Ų | 98 | 111.6 Ų | 111.6 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 172.5 | -73.7 | -171.1 | -65.6 | 0 | 0 | 111.8 | R20 N21 R26 Q27 D28 | R20-M24 WeakPolarHBondContact O-CG 3.47Å; R20-M24 PolarHBondContact O-N 3.18Å; N21-M24 PolarHBondContact O-N 3.48Å; N21-M24 WeakPolarHBondContact OD1-CE 3.41Å; M24-R26 PolarHBondContact O-N 2.93Å; M24-R26 VanDerWaalsContact O-N 3.15Å; M24-Q27 PolarHBondContact O-N 2.9Å; M24-Q27 VanDerWaalsContact O-N 3.14Å; M24-D28 PolarHBondContact O-N 3.42Å |
| 25 | Q | 87.6 | Confident | 87.8 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -25.9 | 176 | -70.8 | 173 | -1.1 | 0 | 0 | 113.4 | N21 R29 | N21-Q25 VanDerWaalsContact O-CG 3.28Å; N21-Q25 WeakPolarHBondContact O-CG 3.45Å; N21-Q25 PolarHBondContact O-N 3.29Å; Q25-R29 PolarHBondContact O-NE 3.34Å |
| 26 | R | 87.1 | Confident | 87.6 | Confident | 127 Ų | 127 | 119.2 Ų | 119.2 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79.4 | -44.8 | 175.6 | -176.9 | -180 | 176.9 | -129.2 | 1.8 | 110.9 | R22 E23 M24 D28 R29 I30 | R22-R26 VanDerWaalsContact O-CB 3.28Å; R22-R26 WeakPolarHBondContact O-CB 3.47Å; R22-R26 PolarHBondContact O-N 2.91Å; E23-R26 WeakPolarHBondContact O-CB 3.5Å; E23-R26 PolarHBondContact O-N 2.93Å; E23-R26 VanDerWaalsContact O-N 3.15Å; E23-R26 IonicContact OE1-NH1 3.57Å; E23-R26 PolarHBondContact OE1-NH1 3.42Å; E23-R26 IonicContact OE2-NH1 2.91Å; M24-R26 PolarHBondContact O-N 2.93Å; M24-R26 VanDerWaalsContact O-N 3.15Å; R26-D28 VanDerWaalsContact C-N 3.32Å; R26-D28 PolarHBondContact O-N 2.96Å; R26-R29 PolarHBondContact O-N 2.94Å; R26-R29 VanDerWaalsContact O-N 3.16Å; R26-I30 HydrophobicContact CG-CD1 3.65Å; R26-I30 HydrophobicContact CG-CG1 4.33Å; R26-I30 WeakPolarHBondContact O-CG1 3.32Å; R26-I30 PolarHBondContact O-N 3.33Å |
| 27 | Q | 88.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 119.8 Ų | 119.8 | 39% | 0.393 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.5 | -75.3 | -178.1 | 0.8 | 0 | 0 | 110.9 | E23 M24 R29 I30 F31 | E23-Q27 WeakPolarHBondContact O-CB 3.33Å; E23-Q27 VanDerWaalsContact O-CG 3.27Å; E23-Q27 WeakPolarHBondContact O-CG 3.38Å; E23-Q27 PolarHBondContact O-N 3.42Å; M24-Q27 PolarHBondContact O-N 2.9Å; M24-Q27 VanDerWaalsContact O-N 3.14Å; Q27-R29 PolarHBondContact O-N 2.98Å; Q27-R29 VanDerWaalsContact O-N 3.15Å; Q27-I30 PolarHBondContact O-N 3.47Å; Q27-I30 VanDerWaalsContact O-N 3.13Å; Q27-F31 HydrophobicContact CB-CD2 3.72Å; Q27-F31 HydrophobicContact CB-CE2 3.71Å; Q27-F31 HydrophobicContact CG-CD2 4.24Å; Q27-F31 HydrophobicContact CG-CE2 3.7Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 WeakPolarHBondContact O-CD2 3.33Å; Q27-F31 PolarHBondContact O-N 2.8Å |
| 28 | D | 86.2 | Confident | 87.2 | Confident | 118 Ų | 118 | 120 Ų | 120 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.7 | -33.5 | 177.5 | -69.7 | -22.1 | 0 | 0 | 0 | 113.2 | M24 R26 N32 | M24-D28 PolarHBondContact O-N 3.42Å; R26-D28 VanDerWaalsContact C-N 3.32Å; R26-D28 PolarHBondContact O-N 2.96Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å |
| 29 | R | 84.9 | Confident | 86.9 | Confident | 150 Ų | 150 | 115.4 Ų | 115.4 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -81.6 | -38.5 | 177.6 | -70.3 | 179.8 | -73.3 | 174.3 | -0.8 | 113 | Q25 R26 Q27 | Q25-R29 PolarHBondContact O-NE 3.34Å; R26-R29 PolarHBondContact O-N 2.94Å; R26-R29 VanDerWaalsContact O-N 3.16Å; Q27-R29 PolarHBondContact O-N 2.98Å; Q27-R29 VanDerWaalsContact O-N 3.15Å |
| 30 | I | 85.8 | Confident | 86.9 | Confident | 76 Ų | 76 | 112.2 Ų | 112.2 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.6 | -40.7 | -176.7 | -69 | 177.4 | 0 | 0 | 0 | 111.2 | R26 Q27 | R26-I30 HydrophobicContact CG-CD1 3.65Å; R26-I30 HydrophobicContact CG-CG1 4.33Å; R26-I30 WeakPolarHBondContact O-CG1 3.32Å; R26-I30 PolarHBondContact O-N 3.33Å; Q27-I30 PolarHBondContact O-N 3.47Å; Q27-I30 VanDerWaalsContact O-N 3.13Å |
| 31 | F | 88.3 | Confident | 86.8 | Confident | 161 Ų | 161 | 109.1 Ų | 109.1 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79.1 | -20.5 | -179 | -67.7 | -59.8 | 0 | 0 | 0 | 112.9 | Q27 A33 | Q27-F31 HydrophobicContact CB-CD2 3.72Å; Q27-F31 HydrophobicContact CB-CE2 3.71Å; Q27-F31 HydrophobicContact CG-CD2 4.24Å; Q27-F31 HydrophobicContact CG-CE2 3.7Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 WeakPolarHBondContact O-CD2 3.33Å; Q27-F31 PolarHBondContact O-N 2.8Å; F31-A33 PolarHBondContact O-N 2.92Å; F31-A33 VanDerWaalsContact O-N 3.16Å |
| 32 | N | 86.8 | Confident | 86.8 | Confident | 75 Ų | 75 | 113 Ų | 113 | 40% | 0.401 | 55% | 0.547 | S | S | . | . | trans | -79.6 | 97 | 172.3 | -170.5 | -29.7 | 0 | 0 | 0 | 111.1 | D28 K34 V35 R36 | D28-N32 WeakPolarHBondContact O-CB 3.49Å; N32-K34 PolarHBondContact O-N 2.89Å; N32-K34 VanDerWaalsContact O-N 3.13Å; N32-K34 PolarHBondContact OD1-N 2.8Å; N32-V35 HydrophobicContact CB-CB 4.17Å; N32-V35 HydrophobicContact CB-CG2 4.18Å; N32-V35 PolarHBondContact O-N 3.15Å; N32-V35 VanDerWaalsContact O-N 3.15Å; N32-V35 PolarHBondContact OD1-N 3.43Å; N32-R36 PolarHBondContact O-N 3.04Å | ||
| 33 | A | 86.3 | Confident | 86.9 | Confident | 57 Ų | 57 | 112.7 Ų | 112.7 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -54 | -34.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | F31 R36 T37 | F31-A33 PolarHBondContact O-N 2.92Å; F31-A33 VanDerWaalsContact O-N 3.16Å; A33-R36 PolarHBondContact O-N 3.37Å; A33-T37 PolarHBondContact O-N 3.47Å; A33-T37 PolarHBondContact O-OG1 3.37Å |
| 34 | K | 85.9 | Confident | 87.1 | Confident | 170 Ų | 170 | 110.7 Ų | 110.7 | 74% | 0.739 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71 | -42.3 | -179.8 | -173.3 | 175.4 | -179 | 176.5 | 0 | 112.2 | N32 R36 T37 I38 | N32-K34 PolarHBondContact O-N 2.89Å; N32-K34 VanDerWaalsContact O-N 3.13Å; N32-K34 PolarHBondContact OD1-N 2.8Å; K34-R36 VanDerWaalsContact C-N 3.33Å; K34-T37 PolarHBondContact O-N 3.18Å; K34-I38 PolarHBondContact O-N 3.05Å |
| 35 | V | 86 | Confident | 87.3 | Confident | 63 Ų | 63 | 110 Ų | 110 | 38% | 0.382 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | N32 G39 | N32-V35 HydrophobicContact CB-CB 4.17Å; N32-V35 HydrophobicContact CB-CG2 4.18Å; N32-V35 PolarHBondContact O-N 3.15Å; N32-V35 VanDerWaalsContact O-N 3.15Å; N32-V35 PolarHBondContact OD1-N 3.43Å; V35-G39 WeakPolarHBondContact O-CA 3.47Å; V35-G39 PolarHBondContact O-N 2.91Å |
| 36 | R | 82.3 | Confident | 87.7 | Confident | 179 Ų | 179 | 108.5 Ų | 108.5 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 175.3 | -171.2 | -179.1 | 70.9 | -179 | 3.3 | 112.8 | N32 A33 K34 | N32-R36 PolarHBondContact O-N 3.04Å; A33-R36 PolarHBondContact O-N 3.37Å; K34-R36 VanDerWaalsContact C-N 3.33Å |
| 37 | T | 83.1 | Confident | 88 | Confident | 106 Ų | 106 | 106 Ų | 106 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -83.9 | -38 | -178.1 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | A33 K34 | A33-T37 PolarHBondContact O-N 3.47Å; A33-T37 PolarHBondContact O-OG1 3.37Å; K34-T37 PolarHBondContact O-N 3.18Å |
| 38 | I | 83.8 | Confident | 88.3 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -143.8 | 51.9 | -174.1 | -40.3 | 177.8 | 0 | 0 | 0 | 111.1 | K34 I40 | K34-I38 PolarHBondContact O-N 3.05Å; I38-I40 HydrophobicContact CG2-CD1 3.96Å; I38-I40 HydrophobicContact CG2-CG1 4.38Å; I38-I40 PolarHBondContact O-N 3.45Å |
| 39 | G | 83.4 | Confident | 88.8 | Confident | 52 Ų | 52 | 105.7 Ų | 105.7 | 54% | 0.536 | 55% | 0.548 | S | S | . | . | trans | -77 | 107 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V35 | V35-G39 WeakPolarHBondContact O-CA 3.47Å; V35-G39 PolarHBondContact O-N 2.91Å | ||
| 40 | I | 87.4 | Confident | 89.3 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 54% | 0.544 | 54% | 0.541 | S | S | . | . | trans | -127.3 | 127.3 | 179.3 | -59.4 | 172.7 | 0 | 0 | 0 | 109.2 | I38 K42 L45 | I38-I40 HydrophobicContact CG2-CD1 3.96Å; I38-I40 HydrophobicContact CG2-CG1 4.38Å; I38-I40 PolarHBondContact O-N 3.45Å; I40-K42 PolarHBondContact O-N 3.45Å; I40-L45 HydrophobicContact CG2-CD1 3.33Å; I40-L45 HydrophobicContact CG2-CG 4.4Å | ||
| 41 | D | 89 | Confident | 89.8 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | trans | -81.4 | 95 | 172.2 | -171.2 | -19.1 | 0 | 0 | 0 | 110 | E43 A44 L45 | D41-E43 VanDerWaalsContact C-N 3.32Å; D41-E43 PolarHBondContact O-N 2.86Å; D41-E43 PolarHBondContact OD1-N 3.34Å; D41-A44 HydrophobicContact CB-CB 3.96Å; D41-A44 PolarHBondContact OD1-N 3.15Å; D41-A44 WeakPolarHBondContact OD2-CB 3.44Å; D41-L45 WeakPolarHBondContact O-CG 3.3Å; D41-L45 PolarHBondContact O-N 2.74Å; D41-L45 VanDerWaalsContact O-N 3.12Å | ||
| 42 | K | 90.2 | Very high | 90.1 | Very high | 164 Ų | 164 | 104.1 Ų | 104.1 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -35.5 | -176.8 | -65.2 | -177.4 | 179.7 | -178.4 | 0 | 112.2 | I40 L45 V46 | I40-K42 PolarHBondContact O-N 3.45Å; K42-L45 PolarHBondContact O-N 3.41Å; K42-V46 WeakPolarHBondContact O-CB 3.44Å; K42-V46 VanDerWaalsContact O-CG2 3.23Å; K42-V46 WeakPolarHBondContact O-CG2 3.41Å; K42-V46 PolarHBondContact O-N 3.29Å |
| 43 | E | 93.3 | Very high | 90.6 | Very high | 158 Ų | 158 | 106.1 Ų | 106.1 | 74% | 0.738 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.2 | -40.8 | -177 | -65.8 | 178.7 | -175.5 | 0 | 0 | 110.8 | D41 V46 S47 | D41-E43 VanDerWaalsContact C-N 3.32Å; D41-E43 PolarHBondContact O-N 2.86Å; D41-E43 PolarHBondContact OD1-N 3.34Å; E43-V46 PolarHBondContact O-N 2.8Å; E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 3.29Å; E43-S47 PolarHBondContact O-OG 3.24Å |
| 44 | A | 93.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 110.4 Ų | 110.4 | 31% | 0.306 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -44.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D41 S47 Q48 | D41-A44 HydrophobicContact CB-CB 3.96Å; D41-A44 PolarHBondContact OD1-N 3.15Å; D41-A44 WeakPolarHBondContact OD2-CB 3.44Å; A44-S47 WeakPolarHBondContact O-CB 3.33Å; A44-S47 PolarHBondContact O-N 3.23Å; A44-Q48 WeakPolarHBondContact O-CG 3.48Å; A44-Q48 PolarHBondContact O-N 2.88Å |
| 45 | L | 92.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 107.7 Ų | 107.7 | 45% | 0.445 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.3 | -73.1 | 179.5 | 0 | 0 | 0 | 112.4 | I40 D41 K42 S47 Q48 V49 | I40-L45 HydrophobicContact CG2-CD1 3.33Å; I40-L45 HydrophobicContact CG2-CG 4.4Å; D41-L45 WeakPolarHBondContact O-CG 3.3Å; D41-L45 PolarHBondContact O-N 2.74Å; D41-L45 VanDerWaalsContact O-N 3.12Å; K42-L45 PolarHBondContact O-N 3.41Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 2.81Å; L45-Q48 PolarHBondContact O-N 2.97Å; L45-V49 VanDerWaalsContact O-CG2 3.32Å; L45-V49 WeakPolarHBondContact O-CG2 3.29Å; L45-V49 PolarHBondContact O-N 3.42Å |
| 46 | V | 95.7 | Very high | 92 | Very high | 86 Ų | 86 | 109 Ų | 109 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | K42 E43 V49 N50 | K42-V46 WeakPolarHBondContact O-CB 3.44Å; K42-V46 VanDerWaalsContact O-CG2 3.23Å; K42-V46 WeakPolarHBondContact O-CG2 3.41Å; K42-V46 PolarHBondContact O-N 3.29Å; E43-V46 PolarHBondContact O-N 2.8Å; V46-V49 PolarHBondContact O-N 3.08Å; V46-N50 WeakPolarHBondContact O-CB 3.49Å; V46-N50 PolarHBondContact O-N 2.94Å; V46-N50 PolarHBondContact O-ND2 2.86Å |
| 47 | S | 95.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 106.2 Ų | 106.2 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | E43 A44 L45 N50 E51 | E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 3.29Å; E43-S47 PolarHBondContact O-OG 3.24Å; A44-S47 WeakPolarHBondContact O-CB 3.33Å; A44-S47 PolarHBondContact O-N 3.23Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 2.81Å; S47-N50 PolarHBondContact O-N 3.36Å; S47-E51 WeakPolarHBondContact O-CB 3.36Å; S47-E51 PolarHBondContact O-N 3.32Å |
| 48 | Q | 94.6 | Very high | 93.2 | Very high | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.3 | -73.1 | 176.3 | -0.9 | 0 | 0 | 112.5 | A44 L45 N50 E51 R52 | A44-Q48 WeakPolarHBondContact O-CG 3.48Å; A44-Q48 PolarHBondContact O-N 2.88Å; L45-Q48 PolarHBondContact O-N 2.97Å; Q48-N50 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 3.05Å; Q48-E51 PolarHBondContact O-N 3.42Å; Q48-R52 WeakPolarHBondContact O-CB 3.46Å; Q48-R52 PolarHBondContact O-N 3.46Å |
| 49 | V | 96.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L45 V46 R52 K53 | L45-V49 VanDerWaalsContact O-CG2 3.32Å; L45-V49 WeakPolarHBondContact O-CG2 3.29Å; L45-V49 PolarHBondContact O-N 3.42Å; V46-V49 PolarHBondContact O-N 3.08Å; V49-R52 PolarHBondContact O-N 2.89Å; V49-K53 HydrophobicContact CG1-CD 4.43Å; V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 2.83Å |
| 50 | N | 95.5 | Very high | 94.3 | Very high | 79 Ų | 79 | 104.2 Ų | 104.2 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.3 | -71.6 | -21.9 | 0 | 0 | 0 | 112.1 | V46 S47 Q48 K53 K54 | V46-N50 WeakPolarHBondContact O-CB 3.49Å; V46-N50 PolarHBondContact O-N 2.94Å; V46-N50 PolarHBondContact O-ND2 2.86Å; S47-N50 PolarHBondContact O-N 3.36Å; Q48-N50 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 3.05Å; N50-K53 PolarHBondContact O-N 3.14Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å; N50-K54 PolarHBondContact O-N 3.46Å |
| 51 | E | 95.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 174.9 | -167.6 | -169.2 | 151.4 | 0 | 0 | 111.2 | S47 Q48 K53 K54 K55 | S47-E51 WeakPolarHBondContact O-CB 3.36Å; S47-E51 PolarHBondContact O-N 3.32Å; Q48-E51 PolarHBondContact O-N 3.42Å; E51-K53 PolarHBondContact O-N 3.13Å; E51-K54 PolarHBondContact O-N 2.96Å; E51-K55 WeakPolarHBondContact O-CG 3.36Å; E51-K55 PolarHBondContact O-N 3.04Å; E51-K55 WeakPolarHBondContact OE1-CE 3.43Å; E51-K55 IonicContact OE1-NZ 3.18Å; E51-K55 PolarHBondContact OE1-NZ 3.46Å |
| 52 | R | 96 | Very high | 94.9 | Very high | 171 Ų | 171 | 103.2 Ų | 103.2 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | 176 | -178 | 177.5 | 170.4 | 168.6 | 3.3 | 111.9 | Q48 V49 K54 K55 E56 | Q48-R52 WeakPolarHBondContact O-CB 3.46Å; Q48-R52 PolarHBondContact O-N 3.46Å; V49-R52 PolarHBondContact O-N 2.89Å; R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.96Å; R52-K55 PolarHBondContact O-N 3.46Å; R52-E56 IonicContact CZ-OE1 3.72Å; R52-E56 IonicContact NE-OE1 3.21Å; R52-E56 PolarHBondContact NE-OE1 3.38Å; R52-E56 IonicContact NH2-OE1 2.73Å; R52-E56 PolarHBondContact NH2-OE1 2.93Å; R52-E56 WeakPolarHBondContact O-CG 3.4Å; R52-E56 PolarHBondContact O-N 3.23Å |
| 53 | K | 96.7 | Very high | 95.2 | Very high | 117 Ų | 117 | 101.2 Ų | 101.2 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 176.2 | -76.7 | -179.5 | 178.1 | -178.1 | 0 | 112.3 | V49 N50 E51 E56 Q57 | V49-K53 HydrophobicContact CG1-CD 4.43Å; V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 2.83Å; N50-K53 PolarHBondContact O-N 3.14Å; E51-K53 PolarHBondContact O-N 3.13Å; K53-E56 PolarHBondContact O-N 3.06Å; K53-Q57 WeakPolarHBondContact O-CB 3.36Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.42Å; K53-Q57 PolarHBondContact O-N 3.4Å |
| 54 | K | 96.2 | Very high | 95.3 | Very high | 148 Ų | 148 | 101.4 Ų | 101.4 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 176 | -74.6 | -179.7 | 179.9 | -175.6 | 0 | 112 | N50 E51 R52 Q57 A58 | N50-K54 WeakPolarHBondContact O-CG 3.46Å; N50-K54 PolarHBondContact O-N 3.46Å; E51-K54 PolarHBondContact O-N 2.96Å; R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.96Å; K54-Q57 PolarHBondContact O-N 2.94Å; K54-A58 WeakPolarHBondContact O-CB 3.49Å; K54-A58 PolarHBondContact O-N 3.1Å |
| 55 | K | 94.6 | Very high | 95.4 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 174.7 | -72 | 178 | -175.9 | 168.6 | 0 | 111.4 | E51 R52 Q57 A58 E59 | E51-K55 WeakPolarHBondContact O-CG 3.36Å; E51-K55 PolarHBondContact O-N 3.04Å; E51-K55 WeakPolarHBondContact OE1-CE 3.43Å; E51-K55 IonicContact OE1-NZ 3.18Å; E51-K55 PolarHBondContact OE1-NZ 3.46Å; R52-K55 PolarHBondContact O-N 3.46Å; K55-Q57 VanDerWaalsContact C-N 3.3Å; K55-Q57 PolarHBondContact O-N 3.15Å; K55-A58 PolarHBondContact O-N 3.47Å; K55-E59 WeakPolarHBondContact O-CB 3.49Å; K55-E59 WeakPolarHBondContact O-CG 3.44Å; K55-E59 PolarHBondContact O-N 3.41Å |
| 56 | E | 95.7 | Very high | 95.6 | Very high | 91 Ų | 91 | 105.5 Ų | 105.5 | 43% | 0.425 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 177.3 | -72.6 | 172.6 | -174.8 | 0 | 0 | 111.7 | R52 K53 A60 | R52-E56 IonicContact CZ-OE1 3.72Å; R52-E56 IonicContact NE-OE1 3.21Å; R52-E56 PolarHBondContact NE-OE1 3.38Å; R52-E56 IonicContact NH2-OE1 2.73Å; R52-E56 PolarHBondContact NH2-OE1 2.93Å; R52-E56 WeakPolarHBondContact O-CG 3.4Å; R52-E56 PolarHBondContact O-N 3.23Å; K53-E56 PolarHBondContact O-N 3.06Å; E56-A60 WeakPolarHBondContact O-CB 3.38Å; E56-A60 PolarHBondContact O-N 3.45Å |
| 57 | Q | 95.4 | Very high | 95.6 | Very high | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | 174.7 | -75.8 | 174.6 | -14 | 0 | 0 | 112.4 | K53 K54 K55 E59 A60 E61 | K53-Q57 WeakPolarHBondContact O-CB 3.36Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.42Å; K53-Q57 PolarHBondContact O-N 3.4Å; K54-Q57 PolarHBondContact O-N 2.94Å; K55-Q57 VanDerWaalsContact C-N 3.3Å; K55-Q57 PolarHBondContact O-N 3.15Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-E59 PolarHBondContact O-N 2.82Å; Q57-A60 PolarHBondContact O-N 3.49Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3.29Å |
| 58 | A | 95.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K54 K55 E61 S62 | K54-A58 WeakPolarHBondContact O-CB 3.49Å; K54-A58 PolarHBondContact O-N 3.1Å; K55-A58 PolarHBondContact O-N 3.47Å; A58-E61 PolarHBondContact O-N 2.92Å; A58-S62 WeakPolarHBondContact O-CB 3.33Å; A58-S62 PolarHBondContact O-N 2.87Å |
| 59 | E | 93.8 | Very high | 95.7 | Very high | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 173.5 | -73.8 | 173.6 | -168.3 | 0 | 0 | 111.3 | K55 Q57 E61 S62 L63 | K55-E59 WeakPolarHBondContact O-CB 3.49Å; K55-E59 WeakPolarHBondContact O-CG 3.44Å; K55-E59 PolarHBondContact O-N 3.41Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-E59 PolarHBondContact O-N 2.82Å; E59-E61 PolarHBondContact O-N 3.39Å; E59-S62 WeakPolarHBondContact O-CB 3.46Å; E59-S62 PolarHBondContact O-N 2.96Å; E59-L63 WeakPolarHBondContact O-CG 3.27Å; E59-L63 PolarHBondContact O-N 3.25Å |
| 60 | A | 96.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 99.3 Ų | 99.3 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E56 Q57 K64 | E56-A60 WeakPolarHBondContact O-CB 3.38Å; E56-A60 PolarHBondContact O-N 3.45Å; Q57-A60 PolarHBondContact O-N 3.49Å; A60-K64 WeakPolarHBondContact O-CB 3.46Å; A60-K64 PolarHBondContact O-N 2.9Å |
| 61 | E | 96.4 | Very high | 95.8 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 174.5 | -74.4 | 175.2 | -178.1 | 0 | 0 | 111.8 | Q57 A58 E59 K64 A65 | Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3.29Å; A58-E61 PolarHBondContact O-N 2.92Å; E59-E61 PolarHBondContact O-N 3.39Å; E61-K64 PolarHBondContact O-N 3.36Å; E61-A65 PolarHBondContact O-N 3.23Å |
| 62 | S | 93.7 | Very high | 95.8 | Very high | 51 Ų | 51 | 103.5 Ų | 103.5 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | A58 E59 K64 A65 Y66 | A58-S62 WeakPolarHBondContact O-CB 3.33Å; A58-S62 PolarHBondContact O-N 2.87Å; E59-S62 WeakPolarHBondContact O-CB 3.46Å; E59-S62 PolarHBondContact O-N 2.96Å; S62-K64 VanDerWaalsContact C-N 3.3Å; S62-K64 PolarHBondContact O-N 3.36Å; S62-A65 WeakPolarHBondContact O-CB 3.45Å; S62-A65 PolarHBondContact O-N 2.83Å; S62-A65 VanDerWaalsContact O-N 3.13Å; S62-Y66 WeakPolarHBondContact O-CD2 3.4Å; S62-Y66 PolarHBondContact O-N 3.34Å; S62-Y66 VanDerWaalsContact OG-CE2 3.26Å; S62-Y66 WeakPolarHBondContact OG-CE2 3.28Å |
| 63 | L | 95.2 | Very high | 95.7 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 175.6 | -71.5 | 173.9 | 0 | 0 | 0 | 112.2 | E59 A65 Y66 A67 | E59-L63 WeakPolarHBondContact O-CG 3.27Å; E59-L63 PolarHBondContact O-N 3.25Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-Y66 PolarHBondContact O-N 3Å; L63-A67 WeakPolarHBondContact O-CB 3.34Å; L63-A67 PolarHBondContact O-N 2.87Å |
| 64 | K | 96.6 | Very high | 95.7 | Very high | 162 Ų | 162 | 99.9 Ų | 99.9 | 70% | 0.704 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 175.9 | -173.8 | 178 | 179.3 | -177.8 | 0 | 112 | A60 E61 S62 A68 | A60-K64 WeakPolarHBondContact O-CB 3.46Å; A60-K64 PolarHBondContact O-N 2.9Å; E61-K64 PolarHBondContact O-N 3.36Å; S62-K64 VanDerWaalsContact C-N 3.3Å; S62-K64 PolarHBondContact O-N 3.36Å; K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 3.5Å |
| 65 | A | 96.4 | Very high | 95.7 | Very high | 52 Ų | 52 | 99.8 Ų | 99.8 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E61 S62 L63 A67 A68 D69 | E61-A65 PolarHBondContact O-N 3.23Å; S62-A65 WeakPolarHBondContact O-CB 3.45Å; S62-A65 PolarHBondContact O-N 2.83Å; S62-A65 VanDerWaalsContact O-N 3.13Å; L63-A65 VanDerWaalsContact C-N 3.34Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.27Å; A65-A68 WeakPolarHBondContact O-CB 3.49Å; A65-A68 PolarHBondContact O-N 2.92Å; A65-A68 VanDerWaalsContact O-N 3.13Å; A65-D69 PolarHBondContact O-N 2.81Å |
| 66 | Y | 95.6 | Very high | 95.8 | Very high | 156 Ų | 156 | 96.6 Ų | 96.6 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 175.7 | -70.5 | -55.9 | 0 | 0 | 0 | 112.6 | S62 L63 A68 D69 A70 | S62-Y66 WeakPolarHBondContact O-CD2 3.4Å; S62-Y66 PolarHBondContact O-N 3.34Å; S62-Y66 VanDerWaalsContact OG-CE2 3.26Å; S62-Y66 WeakPolarHBondContact OG-CE2 3.28Å; L63-Y66 PolarHBondContact O-N 3Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.32Å; Y66-D69 PolarHBondContact O-N 2.91Å; Y66-A70 WeakPolarHBondContact O-CB 3.24Å; Y66-A70 PolarHBondContact O-N 3.43Å |
| 67 | A | 96.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 94.4 Ų | 94.4 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 A65 A70 V71 | L63-A67 WeakPolarHBondContact O-CB 3.34Å; L63-A67 PolarHBondContact O-N 2.87Å; A65-A67 VanDerWaalsContact C-N 3.33Å; A65-A67 PolarHBondContact O-N 3.27Å; A67-A70 PolarHBondContact O-N 3.42Å; A67-V71 WeakPolarHBondContact O-CG2 3.48Å; A67-V71 PolarHBondContact O-N 3.06Å; A67-V71 VanDerWaalsContact O-N 3.16Å |
| 68 | A | 96.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 92.1 Ų | 92.1 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K64 A65 Y66 V71 R72 | K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 3.5Å; A65-A68 WeakPolarHBondContact O-CB 3.49Å; A65-A68 PolarHBondContact O-N 2.92Å; A65-A68 VanDerWaalsContact O-N 3.13Å; Y66-A68 VanDerWaalsContact C-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.32Å; A68-V71 PolarHBondContact O-N 3.45Å; A68-R72 WeakPolarHBondContact O-CG 3.27Å; A68-R72 PolarHBondContact O-N 3.27Å; A68-R72 VanDerWaalsContact O-N 3.09Å |
| 69 | D | 96 | Very high | 95.9 | Very high | 73 Ų | 73 | 93.5 Ų | 93.5 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 176.7 | -75.4 | -20.3 | 0 | 0 | 0 | 112.2 | A65 Y66 V71 R72 N73 | A65-D69 PolarHBondContact O-N 2.81Å; Y66-D69 PolarHBondContact O-N 2.91Å; D69-V71 PolarHBondContact O-N 2.95Å; D69-R72 WeakPolarHBondContact O-CB 3.32Å; D69-R72 PolarHBondContact O-N 2.88Å; D69-R72 IonicContact OD1-NH1 3.74Å; D69-R72 PolarHBondContact OD1-NH1 3.07Å; D69-N73 WeakPolarHBondContact O-CB 3.37Å; D69-N73 VanDerWaalsContact O-CG 3.25Å; D69-N73 PolarHBondContact O-N 3.11Å; D69-N73 PolarHBondContact O-ND2 3.21Å |
| 70 | A | 95.6 | Very high | 96 | Very high | 46 Ų | 46 | 92 Ų | 92 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y66 A67 R72 N73 D74 | Y66-A70 WeakPolarHBondContact O-CB 3.24Å; Y66-A70 PolarHBondContact O-N 3.43Å; A67-A70 PolarHBondContact O-N 3.42Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-R72 PolarHBondContact O-N 3.03Å; A70-N73 PolarHBondContact O-N 3.37Å; A70-N73 VanDerWaalsContact O-N 3.14Å; A70-D74 PolarHBondContact O-N 3.38Å |
| 71 | V | 96.7 | Very high | 96 | Very high | 99 Ų | 99 | 93.3 Ų | 93.3 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -37.2 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | A67 A68 D69 K75 | A67-V71 WeakPolarHBondContact O-CG2 3.48Å; A67-V71 PolarHBondContact O-N 3.06Å; A67-V71 VanDerWaalsContact O-N 3.16Å; A68-V71 PolarHBondContact O-N 3.45Å; D69-V71 PolarHBondContact O-N 2.95Å; V71-K75 WeakPolarHBondContact O-CB 3.47Å; V71-K75 PolarHBondContact O-N 3.15Å; V71-K75 VanDerWaalsContact O-N 3.11Å |
| 72 | R | 95.8 | Very high | 96 | Very high | 172 Ų | 172 | 92 Ų | 92 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 175.3 | -75 | 172.5 | 172.9 | 176.7 | -4 | 111.7 | A68 D69 A70 K75 A76 | A68-R72 WeakPolarHBondContact O-CG 3.27Å; A68-R72 PolarHBondContact O-N 3.27Å; A68-R72 VanDerWaalsContact O-N 3.09Å; D69-R72 WeakPolarHBondContact O-CB 3.32Å; D69-R72 PolarHBondContact O-N 2.88Å; D69-R72 IonicContact OD1-NH1 3.74Å; D69-R72 PolarHBondContact OD1-NH1 3.07Å; A70-R72 VanDerWaalsContact C-N 3.29Å; A70-R72 PolarHBondContact O-N 3.03Å; R72-K75 PolarHBondContact O-N 3.5Å; R72-A76 PolarHBondContact O-N 2.83Å |
| 73 | N | 95.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 97 Ų | 97 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -43.7 | 179 | -69.7 | -22.8 | 0 | 0 | 0 | 111.4 | D69 A70 K75 A76 A77 | D69-N73 WeakPolarHBondContact O-CB 3.37Å; D69-N73 VanDerWaalsContact O-CG 3.25Å; D69-N73 PolarHBondContact O-N 3.11Å; D69-N73 PolarHBondContact O-ND2 3.21Å; A70-N73 PolarHBondContact O-N 3.37Å; A70-N73 VanDerWaalsContact O-N 3.14Å; N73-K75 VanDerWaalsContact C-N 3.31Å; N73-K75 PolarHBondContact O-N 3.04Å; N73-A76 WeakPolarHBondContact O-CB 3.49Å; N73-A76 PolarHBondContact O-N 3.41Å; N73-A76 VanDerWaalsContact O-N 3.1Å; N73-A77 PolarHBondContact O-N 3.03Å |
| 74 | D | 96.3 | Very high | 96.1 | Very high | 105 Ų | 105 | 96.7 Ų | 96.7 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.2 | -44.3 | 175.9 | -70.7 | -14.1 | 0 | 0 | 0 | 111.1 | A70 A76 A77 C78 | A70-D74 PolarHBondContact O-N 3.38Å; D74-A76 VanDerWaalsContact C-N 3.32Å; D74-A76 PolarHBondContact O-N 3.46Å; D74-A77 PolarHBondContact O-N 3.01Å; D74-C78 PolarHBondContact O-N 3.37Å; D74-C78 PolarHBondContact O-SG 3.34Å; D74-C78 VanDerWaalsContact O-SG 3.36Å |
| 75 | K | 96.9 | Very high | 96.1 | Very high | 146 Ų | 146 | 93.1 Ų | 93.1 | 64% | 0.635 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | 175.7 | -173.1 | 176.3 | -178.7 | 178.4 | 0 | 112 | V71 R72 N73 L79 | V71-K75 WeakPolarHBondContact O-CB 3.47Å; V71-K75 PolarHBondContact O-N 3.15Å; V71-K75 VanDerWaalsContact O-N 3.11Å; R72-K75 PolarHBondContact O-N 3.5Å; N73-K75 VanDerWaalsContact C-N 3.31Å; N73-K75 PolarHBondContact O-N 3.04Å; K75-L79 WeakPolarHBondContact O-CG 3.48Å; K75-L79 PolarHBondContact O-N 2.91Å; K75-L79 VanDerWaalsContact O-N 3.15Å |
| 76 | A | 96 | Very high | 96.1 | Very high | 45 Ų | 45 | 97 Ų | 97 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R72 N73 D74 L79 L80 | R72-A76 PolarHBondContact O-N 2.83Å; N73-A76 WeakPolarHBondContact O-CB 3.49Å; N73-A76 PolarHBondContact O-N 3.41Å; N73-A76 VanDerWaalsContact O-N 3.1Å; D74-A76 VanDerWaalsContact C-N 3.32Å; D74-A76 PolarHBondContact O-N 3.46Å; A76-L79 PolarHBondContact O-N 2.88Å; A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 2.96Å |
| 77 | A | 95.6 | Very high | 96.1 | Very high | 44 Ų | 44 | 94.3 Ų | 94.3 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -50.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N73 D74 L79 L80 D81 | N73-A77 PolarHBondContact O-N 3.03Å; D74-A77 PolarHBondContact O-N 3.01Å; A77-L79 VanDerWaalsContact C-N 3.26Å; A77-L79 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 2.96Å; A77-D81 PolarHBondContact O-N 2.96Å |
| 78 | C | 95.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 96.6 Ų | 96.6 | 49% | 0.493 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.8 | -37.7 | 177 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | D74 Q82 | D74-C78 PolarHBondContact O-N 3.37Å; D74-C78 PolarHBondContact O-SG 3.34Å; D74-C78 VanDerWaalsContact O-SG 3.36Å; C78-Q82 VanDerWaalsContact O-CG 3.28Å; C78-Q82 WeakPolarHBondContact O-CG 3.5Å; C78-Q82 PolarHBondContact O-N 2.9Å; C78-Q82 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 96.6 | Very high | 96 | Very high | 83 Ų | 83 | 102.5 Ų | 102.5 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 176.6 | -73.5 | 173.1 | 0 | 0 | 0 | 112.3 | K75 A76 A77 R83 | K75-L79 WeakPolarHBondContact O-CG 3.48Å; K75-L79 PolarHBondContact O-N 2.91Å; K75-L79 VanDerWaalsContact O-N 3.15Å; A76-L79 PolarHBondContact O-N 2.88Å; A77-L79 VanDerWaalsContact C-N 3.26Å; A77-L79 PolarHBondContact O-N 3.42Å; L79-R83 WeakPolarHBondContact O-CG 3.43Å; L79-R83 PolarHBondContact O-N 3.41Å |
| 80 | L | 96.6 | Very high | 96.1 | Very high | 92 Ų | 92 | 105 Ų | 105 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 176.1 | -71 | 173 | 0 | 0 | 0 | 111.2 | A76 A77 Q82 R83 Q84 | A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 2.96Å; A77-L80 PolarHBondContact O-N 2.96Å; L80-Q82 VanDerWaalsContact C-N 3.31Å; L80-Q82 PolarHBondContact O-N 2.96Å; L80-R83 WeakPolarHBondContact O-CB 3.44Å; L80-R83 PolarHBondContact O-N 3.31Å; L80-Q84 WeakPolarHBondContact O-CG 3.44Å; L80-Q84 PolarHBondContact O-N 3.31Å |
| 81 | D | 95.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 108 Ų | 108 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 177 | -66 | -12.7 | 0 | 0 | 0 | 111.2 | A77 R83 Q84 L85 | A77-D81 PolarHBondContact O-N 2.96Å; D81-R83 VanDerWaalsContact C-N 3.28Å; D81-R83 PolarHBondContact O-N 3.03Å; D81-Q84 PolarHBondContact O-N 3.29Å; D81-L85 WeakPolarHBondContact O-CB 3.35Å; D81-L85 WeakPolarHBondContact O-CG 3.49Å; D81-L85 PolarHBondContact O-N 3.12Å |
| 82 | Q | 96.1 | Very high | 96 | Very high | 110 Ų | 110 | 108.7 Ų | 108.7 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 176.2 | -74.9 | 178.8 | 11.8 | 0 | 0 | 113.2 | C78 L80 K86 | C78-Q82 VanDerWaalsContact O-CG 3.28Å; C78-Q82 WeakPolarHBondContact O-CG 3.5Å; C78-Q82 PolarHBondContact O-N 2.9Å; C78-Q82 VanDerWaalsContact O-N 3.12Å; L80-Q82 VanDerWaalsContact C-N 3.31Å; L80-Q82 PolarHBondContact O-N 2.96Å; Q82-K86 VanDerWaalsContact O-CG 3.31Å; Q82-K86 WeakPolarHBondContact O-CG 3.3Å; Q82-K86 PolarHBondContact O-N 3.38Å |
| 83 | R | 95.9 | Very high | 96 | Very high | 157 Ų | 157 | 101.8 Ų | 101.8 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -48.8 | 174.2 | -73.6 | 171.8 | -176.5 | 176.6 | 1.2 | 110.4 | L79 L80 D81 L85 K86 D87 | L79-R83 WeakPolarHBondContact O-CG 3.43Å; L79-R83 PolarHBondContact O-N 3.41Å; L80-R83 WeakPolarHBondContact O-CB 3.44Å; L80-R83 PolarHBondContact O-N 3.31Å; D81-R83 VanDerWaalsContact C-N 3.28Å; D81-R83 PolarHBondContact O-N 3.03Å; R83-L85 VanDerWaalsContact C-N 3.33Å; R83-L85 PolarHBondContact O-N 3.29Å; R83-K86 WeakPolarHBondContact O-CB 3.32Å; R83-K86 PolarHBondContact O-N 2.95Å; R83-D87 PolarHBondContact O-N 2.99Å |
| 84 | Q | 95.5 | Very high | 96 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.4 | -47.7 | 177.2 | -72.2 | -179.4 | -15 | 0 | 0 | 111.6 | L80 D81 K86 D87 E88 | L80-Q84 WeakPolarHBondContact O-CG 3.44Å; L80-Q84 PolarHBondContact O-N 3.31Å; D81-Q84 PolarHBondContact O-N 3.29Å; Q84-K86 VanDerWaalsContact C-N 3.27Å; Q84-K86 PolarHBondContact O-N 3Å; Q84-D87 PolarHBondContact O-N 3.46Å; Q84-D87 VanDerWaalsContact O-N 3.15Å; Q84-E88 WeakPolarHBondContact O-CB 3.35Å; Q84-E88 WeakPolarHBondContact O-CG 3.31Å; Q84-E88 PolarHBondContact O-N 3.4Å |
| 85 | L | 96.4 | Very high | 95.9 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -33.1 | 178 | -71.9 | 173.3 | 0 | 0 | 0 | 113.3 | D81 R83 R89 | D81-L85 WeakPolarHBondContact O-CB 3.35Å; D81-L85 WeakPolarHBondContact O-CG 3.49Å; D81-L85 PolarHBondContact O-N 3.12Å; R83-L85 VanDerWaalsContact C-N 3.33Å; R83-L85 PolarHBondContact O-N 3.29Å; L85-R89 VanDerWaalsContact O-CG 3.26Å; L85-R89 WeakPolarHBondContact O-CG 3.41Å; L85-R89 PolarHBondContact O-N 2.94Å |
| 86 | K | 96.4 | Very high | 95.7 | Very high | 132 Ų | 132 | 96.3 Ų | 96.3 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.1 | -44.2 | 174.5 | -76.4 | 174.5 | -179 | -179.3 | 0 | 110.9 | Q82 R83 Q84 E88 R89 L90 | Q82-K86 VanDerWaalsContact O-CG 3.31Å; Q82-K86 WeakPolarHBondContact O-CG 3.3Å; Q82-K86 PolarHBondContact O-N 3.38Å; R83-K86 WeakPolarHBondContact O-CB 3.32Å; R83-K86 PolarHBondContact O-N 2.95Å; Q84-K86 VanDerWaalsContact C-N 3.27Å; Q84-K86 PolarHBondContact O-N 3Å; K86-E88 VanDerWaalsContact C-N 3.34Å; K86-R89 PolarHBondContact O-N 2.86Å; K86-L90 WeakPolarHBondContact O-CG 3.36Å; K86-L90 PolarHBondContact O-N 2.9Å |
| 87 | D | 95.5 | Very high | 95.6 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 179.2 | -65.4 | -18.8 | 0 | 0 | 0 | 111 | R83 Q84 R89 L90 L91 | R83-D87 PolarHBondContact O-N 2.99Å; Q84-D87 PolarHBondContact O-N 3.46Å; Q84-D87 VanDerWaalsContact O-N 3.15Å; D87-R89 PolarHBondContact O-N 2.97Å; D87-L90 PolarHBondContact O-N 3.46Å; D87-L91 WeakPolarHBondContact O-CB 3.43Å; D87-L91 PolarHBondContact O-N 3.18Å |
| 88 | E | 95.8 | Very high | 95.5 | Very high | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 173.5 | -75.6 | -179.2 | 169.4 | 0 | 0 | 112.1 | Q84 K86 L91 Q92 | Q84-E88 WeakPolarHBondContact O-CB 3.35Å; Q84-E88 WeakPolarHBondContact O-CG 3.31Å; Q84-E88 PolarHBondContact O-N 3.4Å; K86-E88 VanDerWaalsContact C-N 3.34Å; E88-L91 PolarHBondContact O-N 3.3Å; E88-Q92 WeakPolarHBondContact O-CB 3.34Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.39Å; E88-Q92 PolarHBondContact O-N 3.43Å |
| 89 | R | 96.2 | Very high | 95.2 | Very high | 172 Ų | 172 | 105.4 Ų | 105.4 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 176.5 | -73.3 | 173.8 | -164.5 | 177.1 | 4.7 | 112.1 | L85 K86 D87 L91 Q92 G93 | L85-R89 VanDerWaalsContact O-CG 3.26Å; L85-R89 WeakPolarHBondContact O-CG 3.41Å; L85-R89 PolarHBondContact O-N 2.94Å; K86-R89 PolarHBondContact O-N 2.86Å; D87-R89 PolarHBondContact O-N 2.97Å; R89-L91 VanDerWaalsContact C-N 3.35Å; R89-Q92 PolarHBondContact O-N 3.32Å; R89-G93 PolarHBondContact O-N 3.25Å |
| 90 | L | 96.5 | Very high | 94.8 | Very high | 125 Ų | 125 | 107.3 Ų | 107.3 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 176.8 | -72 | 173.5 | 0 | 0 | 0 | 111.1 | K86 D87 G93 A94 | K86-L90 WeakPolarHBondContact O-CG 3.36Å; K86-L90 PolarHBondContact O-N 2.9Å; D87-L90 PolarHBondContact O-N 3.46Å; L90-G93 PolarHBondContact O-N 3.18Å; L90-A94 WeakPolarHBondContact O-CB 3.35Å; L90-A94 PolarHBondContact O-N 3.31Å |
| 91 | L | 96 | Very high | 94.5 | Very high | 110 Ų | 110 | 108.2 Ų | 108.2 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 176.5 | -176.4 | 69.5 | 0 | 0 | 0 | 111.3 | D87 E88 R89 A94 I95 | D87-L91 WeakPolarHBondContact O-CB 3.43Å; D87-L91 PolarHBondContact O-N 3.18Å; E88-L91 PolarHBondContact O-N 3.3Å; R89-L91 VanDerWaalsContact C-N 3.35Å; L91-A94 PolarHBondContact O-N 2.91Å; L91-I95 HydrophobicContact CG-CD1 4.05Å; L91-I95 VanDerWaalsContact O-CG1 3.25Å; L91-I95 WeakPolarHBondContact O-CG1 3.37Å; L91-I95 PolarHBondContact O-N 2.93Å |
| 92 | Q | 94.6 | Very high | 94 | Very high | 113 Ų | 113 | 110.7 Ų | 110.7 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.5 | -74.9 | 172.6 | 3.1 | 0 | 0 | 111.4 | E88 R89 A94 I95 E96 | E88-Q92 WeakPolarHBondContact O-CB 3.34Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.39Å; E88-Q92 PolarHBondContact O-N 3.43Å; R89-Q92 PolarHBondContact O-N 3.32Å; Q92-A94 PolarHBondContact O-N 3.24Å; Q92-I95 WeakPolarHBondContact O-CB 3.33Å; Q92-I95 PolarHBondContact O-N 2.94Å; Q92-E96 WeakPolarHBondContact O-CG 3.34Å; Q92-E96 PolarHBondContact O-N 3.5Å |
| 93 | G | 95.4 | Very high | 93.4 | Very high | 26 Ų | 26 | 110.8 Ų | 110.8 | 27% | 0.268 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R89 L90 I95 E96 D97 | R89-G93 PolarHBondContact O-N 3.25Å; L90-G93 PolarHBondContact O-N 3.18Å; G93-I95 VanDerWaalsContact C-N 3.31Å; G93-I95 PolarHBondContact O-N 2.99Å; G93-E96 PolarHBondContact O-N 3.44Å; G93-E96 VanDerWaalsContact O-N 3.15Å; G93-D97 WeakPolarHBondContact O-CB 3.41Å; G93-D97 PolarHBondContact O-N 3.4Å |
| 94 | A | 95.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L90 L91 Q92 F98 | L90-A94 WeakPolarHBondContact O-CB 3.35Å; L90-A94 PolarHBondContact O-N 3.31Å; L91-A94 PolarHBondContact O-N 2.91Å; Q92-A94 PolarHBondContact O-N 3.24Å; A94-F98 VanDerWaalsContact O-CB 3.23Å; A94-F98 WeakPolarHBondContact O-CB 3.39Å; A94-F98 PolarHBondContact O-N 3.31Å |
| 95 | I | 94.3 | Very high | 92 | Very high | 72 Ų | 72 | 105.5 Ų | 105.5 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 174.2 | -71.6 | 164.6 | 0 | 0 | 0 | 110.7 | L91 Q92 G93 F98 R99 | L91-I95 HydrophobicContact CG-CD1 4.05Å; L91-I95 VanDerWaalsContact O-CG1 3.25Å; L91-I95 WeakPolarHBondContact O-CG1 3.37Å; L91-I95 PolarHBondContact O-N 2.93Å; Q92-I95 WeakPolarHBondContact O-CB 3.33Å; Q92-I95 PolarHBondContact O-N 2.94Å; G93-I95 VanDerWaalsContact C-N 3.31Å; G93-I95 PolarHBondContact O-N 2.99Å; I95-F98 PolarHBondContact O-N 3.3Å; I95-R99 WeakPolarHBondContact O-CB 3.46Å; I95-R99 VanDerWaalsContact O-CG 3.24Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.26Å |
| 96 | E | 93.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 110 Ų | 110 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177.7 | -72.2 | 179.8 | 177.3 | 0 | 0 | 111.8 | Q92 G93 F98 R99 L100 | Q92-E96 WeakPolarHBondContact O-CG 3.34Å; Q92-E96 PolarHBondContact O-N 3.5Å; G93-E96 PolarHBondContact O-N 3.44Å; G93-E96 VanDerWaalsContact O-N 3.15Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 3.45Å; E96-R99 WeakPolarHBondContact O-CB 3.21Å; E96-R99 PolarHBondContact O-N 2.99Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E96-L100 WeakPolarHBondContact O-CG 3.43Å; E96-L100 PolarHBondContact O-N 2.95Å |
| 97 | D | 94.4 | Very high | 90.1 | Very high | 95 Ų | 95 | 107.5 Ų | 107.5 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 175 | -73.1 | -21.6 | 0 | 0 | 0 | 111.5 | G93 L100 N101 | G93-D97 WeakPolarHBondContact O-CB 3.41Å; G93-D97 PolarHBondContact O-N 3.4Å; D97-L100 PolarHBondContact O-N 2.84Å; D97-N101 WeakPolarHBondContact O-CB 3.49Å; D97-N101 PolarHBondContact O-N 3.22Å; D97-N101 PolarHBondContact O-ND2 3.3Å |
| 98 | F | 92.6 | Very high | 89.4 | Confident | 111 Ų | 111 | 110.8 Ų | 110.8 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176 | -176.5 | -95.4 | 0 | 0 | 0 | 111.8 | A94 I95 E96 F102 Q103 | A94-F98 VanDerWaalsContact O-CB 3.23Å; A94-F98 WeakPolarHBondContact O-CB 3.39Å; A94-F98 PolarHBondContact O-N 3.31Å; I95-F98 PolarHBondContact O-N 3.3Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 3.45Å; F98-F102 HydrophobicContact CD2-CB 4.4Å; F98-F102 AromaticContact CD2-CD2 3.45Å; F98-F102 HydrophobicContact CD2-CD2 3.45Å; F98-F102 VanDerWaalsContact CD2-CD2 3.45Å; F98-F102 HydrophobicContact CD2-CE2 4.06Å; F98-F102 HydrophobicContact CD2-CG 4.21Å; F98-F102 HydrophobicContact CE2-CB 4.1Å; F98-F102 AromaticContact CE2-CD2 3.69Å; F98-F102 HydrophobicContact CE2-CD2 3.69Å; F98-F102 HydrophobicContact CE2-CE2 4.38Å; F98-F102 HydrophobicContact CE2-CG 4.03Å; F98-F102 HydrophobicContact CG-CD2 4.14Å; F98-F102 HydrophobicContact CZ-CB 4.16Å; F98-F102 WeakPolarHBondContact O-CB 3.5Å; F98-F102 PolarHBondContact O-N 3.35Å; F98-Q103 HydrophobicContact CE1-CG 4.33Å |
| 99 | R | 89.8 | Confident | 88.6 | Confident | 146 Ų | 146 | 117.5 Ų | 117.5 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 176.7 | -75.4 | 169.2 | 176.9 | 176.3 | 2.8 | 111.7 | I95 E96 Q103 | I95-R99 WeakPolarHBondContact O-CB 3.46Å; I95-R99 VanDerWaalsContact O-CG 3.24Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.26Å; E96-R99 WeakPolarHBondContact O-CB 3.21Å; E96-R99 PolarHBondContact O-N 2.99Å; E96-R99 VanDerWaalsContact O-N 3.12Å; R99-Q103 CarbonylContact O-C 3.32Å; R99-Q103 WeakPolarHBondContact O-CA 3.49Å; R99-Q103 WeakPolarHBondContact O-CB 3.41Å; R99-Q103 PolarHBondContact O-N 3.39Å |
| 100 | L | 88.6 | Confident | 87.6 | Confident | 124 Ų | 124 | 116 Ų | 116 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | -179.7 | -70.9 | 172.9 | 0 | 0 | 0 | 112 | E96 D97 | E96-L100 WeakPolarHBondContact O-CG 3.43Å; E96-L100 PolarHBondContact O-N 2.95Å; D97-L100 PolarHBondContact O-N 2.84Å |
| 101 | N | 89.4 | Confident | 86.5 | Confident | 111 Ų | 111 | 113.1 Ų | 113.1 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -82.5 | -39.2 | -173.6 | -67.9 | -39.3 | 0 | 0 | 0 | 113.4 | D97 | D97-N101 WeakPolarHBondContact O-CB 3.49Å; D97-N101 PolarHBondContact O-N 3.22Å; D97-N101 PolarHBondContact O-ND2 3.3Å |
| 102 | F | 84.8 | Confident | 85.1 | Confident | 138 Ų | 138 | 112.4 Ų | 112.4 | 61% | 0.605 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -114.6 | -12.3 | -169.6 | -58.8 | -76.4 | 0 | 0 | 0 | 114.6 | F98 | F98-F102 HydrophobicContact CD2-CB 4.4Å; F98-F102 AromaticContact CD2-CD2 3.45Å; F98-F102 HydrophobicContact CD2-CD2 3.45Å; F98-F102 VanDerWaalsContact CD2-CD2 3.45Å; F98-F102 HydrophobicContact CD2-CE2 4.06Å; F98-F102 HydrophobicContact CD2-CG 4.21Å; F98-F102 HydrophobicContact CE2-CB 4.1Å; F98-F102 AromaticContact CE2-CD2 3.69Å; F98-F102 HydrophobicContact CE2-CD2 3.69Å; F98-F102 HydrophobicContact CE2-CE2 4.38Å; F98-F102 HydrophobicContact CE2-CG 4.03Å; F98-F102 HydrophobicContact CG-CD2 4.14Å; F98-F102 HydrophobicContact CZ-CB 4.16Å; F98-F102 WeakPolarHBondContact O-CB 3.5Å; F98-F102 PolarHBondContact O-N 3.35Å |
| 103 | Q | 85.2 | Confident | 83.8 | Confident | 112 Ų | 112 | 113.5 Ų | 113.5 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -117.9 | 27.5 | 174.6 | -53.7 | -177.1 | -19.8 | 0 | 0 | 114.6 | F98 R99 | F98-Q103 HydrophobicContact CE1-CG 4.33Å; R99-Q103 CarbonylContact O-C 3.32Å; R99-Q103 WeakPolarHBondContact O-CA 3.49Å; R99-Q103 WeakPolarHBondContact O-CB 3.41Å; R99-Q103 PolarHBondContact O-N 3.39Å |
| 104 | P | 82.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 115.6 Ų | 115.6 | 10% | 0.097 | 54% | 0.542 | C | S | . | . | trans | -66.2 | 148.1 | 178 | 30.7 | -34.4 | 0 | 0 | 0 | 110.1 | W106 S107 | P104-W106 HydrophobicContact CB-CD2 3.77Å; P104-W106 HydrophobicContact CB-CE3 4.17Å; P104-W106 HydrophobicContact CB-CG 4.39Å; P104-W106 HydrophobicContact CB-CH2 3.78Å; P104-W106 HydrophobicContact CB-CZ2 3.34Å; P104-W106 HydrophobicContact CB-CZ3 4.17Å; P104-W106 HydrophobicContact CG-CD2 4.38Å; P104-W106 HydrophobicContact CG-CZ2 4Å; P104-W106 PolarHBondContact O-N 2.94Å; P104-S107 PolarHBondContact O-N 3.35Å | ||
| 105 | R | 77.6 | Confident | 80.8 | Confident | 147 Ų | 147 | 114.1 Ų | 114.1 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -53.8 | -34.7 | -173.4 | -174.7 | 175.4 | 169.4 | -171.2 | -4 | 112.9 | R108 Y111 | R105-R108 WeakPolarHBondContact O-CG 3.32Å; R105-Y111 HydrophobicContact CG-CD2 4.22Å; R105-Y111 HydrophobicContact CG-CE2 4.03Å; R105-Y111 WeakPolarHBondContact O-CD2 3.19Å |
| 106 | W | 74.2 | Confident | 79.3 | Confident | 182 Ų | 182 | 114.2 Ų | 114.2 | 69% | 0.689 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -75.9 | -18.6 | 179.6 | 55.3 | 82.8 | 0 | 0 | 0 | 115 | P104 R108 Y111 | P104-W106 HydrophobicContact CB-CD2 3.77Å; P104-W106 HydrophobicContact CB-CE3 4.17Å; P104-W106 HydrophobicContact CB-CG 4.39Å; P104-W106 HydrophobicContact CB-CH2 3.78Å; P104-W106 HydrophobicContact CB-CZ2 3.34Å; P104-W106 HydrophobicContact CB-CZ3 4.17Å; P104-W106 HydrophobicContact CG-CD2 4.38Å; P104-W106 HydrophobicContact CG-CZ2 4Å; P104-W106 PolarHBondContact O-N 2.94Å; W106-R108 VanDerWaalsContact C-N 3.28Å; W106-R108 PolarHBondContact O-N 3.44Å; W106-Y111 HydrophobicContact CB-CD1 4.02Å; W106-Y111 HydrophobicContact CB-CE1 3.74Å; W106-Y111 HydrophobicContact CB-CE2 4.45Å; W106-Y111 HydrophobicContact CB-CG 4.46Å |
| 107 | S | 80.4 | Confident | 77.9 | Confident | 79 Ų | 79 | 114.1 Ų | 114.1 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -85.3 | 1.5 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | P104 | P104-S107 PolarHBondContact O-N 3.35Š|
| 108 | R | 79.9 | Confident | 76.3 | Confident | 169 Ų | 169 | 114.7 Ų | 114.7 | 64% | 0.638 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -72.2 | 137.6 | 178.2 | -63.4 | 179.4 | -180 | -169.8 | -0.5 | 109.9 | R105 W106 E110 Y111 | R105-R108 WeakPolarHBondContact O-CG 3.32Å; W106-R108 VanDerWaalsContact C-N 3.28Å; W106-R108 PolarHBondContact O-N 3.44Å; R108-E110 PolarHBondContact O-N 3.19Å; R108-E110 VanDerWaalsContact O-N 3.12Å; R108-Y111 WeakPolarHBondContact O-CB 3.37Å; R108-Y111 PolarHBondContact O-N 3.41Å |
| 109 | R | 78.1 | Confident | 74.5 | Confident | 247 Ų | 247 | 115 Ų | 115 | 93% | 0.932 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33.5 | 177.1 | -172.3 | 178.2 | -179.6 | -158.6 | 0.1 | 113.3 | ||
| 110 | E | 77 | Confident | 72.6 | Confident | 142 Ų | 142 | 117.6 Ų | 117.6 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 7.5 | -179.3 | -61.3 | 173.3 | -170.9 | 0 | 0 | 112.9 | R108 D112 L113 S114 | R108-E110 PolarHBondContact O-N 3.19Å; R108-E110 VanDerWaalsContact O-N 3.12Å; E110-D112 PolarHBondContact O-N 3.32Å; E110-L113 HydrophobicContact CB-CD1 4.38Å; E110-L113 HydrophobicContact CG-CD1 4.44Å; E110-L113 WeakPolarHBondContact O-CB 3.11Å; E110-L113 PolarHBondContact O-N 3.31Å; E110-S114 PolarHBondContact O-N 3.25Å; E110-S114 VanDerWaalsContact O-N 3.12Å |
| 111 | Y | 72.8 | Confident | 70.9 | Confident | 63 Ų | 63 | 114.8 Ų | 114.8 | 25% | 0.247 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -60.4 | -33.7 | -178.8 | -175.6 | -112 | 0 | 0 | 0 | 111.7 | R105 W106 R108 L113 S114 N115 | R105-Y111 HydrophobicContact CG-CD2 4.22Å; R105-Y111 HydrophobicContact CG-CE2 4.03Å; R105-Y111 WeakPolarHBondContact O-CD2 3.19Å; W106-Y111 HydrophobicContact CB-CD1 4.02Å; W106-Y111 HydrophobicContact CB-CE1 3.74Å; W106-Y111 HydrophobicContact CB-CE2 4.45Å; W106-Y111 HydrophobicContact CB-CG 4.46Å; R108-Y111 WeakPolarHBondContact O-CB 3.37Å; R108-Y111 PolarHBondContact O-N 3.41Å; Y111-L113 PolarHBondContact O-N 3.22Å; Y111-S114 CarbonylContact O-C 3.46Å; Y111-S114 PolarHBondContact O-N 3.3Å; Y111-S114 VanDerWaalsContact O-N 3.13Å; Y111-N115 WeakPolarHBondContact O-CA 3.4Å; Y111-N115 VanDerWaalsContact O-CB 3.27Å; Y111-N115 WeakPolarHBondContact O-CB 3.38Å; Y111-N115 PolarHBondContact O-N 3.17Å |
| 112 | D | 65.9 | Low | 68.8 | Low | 96 Ų | 96 | 117.9 Ų | 117.9 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.1 | -31.6 | 173.7 | -75.9 | -34.2 | 0 | 0 | 0 | 113.5 | E110 K118 | E110-D112 PolarHBondContact O-N 3.32Å; D112-K118 IonicContact OD1-NZ 3.45Å; D112-K118 PolarHBondContact OD1-NZ 3.38Å |
| 113 | L | 67.8 | Low | 66.8 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -81.7 | -26.6 | 176.4 | -62.5 | 170.1 | 0 | 0 | 0 | 112.6 | E110 Y111 I119 | E110-L113 HydrophobicContact CB-CD1 4.38Å; E110-L113 HydrophobicContact CG-CD1 4.44Å; E110-L113 WeakPolarHBondContact O-CB 3.11Å; E110-L113 PolarHBondContact O-N 3.31Å; Y111-L113 PolarHBondContact O-N 3.22Å; L113-I119 VanDerWaalsContact O-CD1 3.28Å; L113-I119 WeakPolarHBondContact O-CD1 3.18Å |
| 114 | S | 62.7 | Low | 64.8 | Low | 69 Ų | 69 | 125 Ų | 125 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -101 | 0.5 | -178.6 | -167.8 | 0 | 0 | 0 | 0 | 113.1 | E110 Y111 P116 | E110-S114 PolarHBondContact O-N 3.25Å; E110-S114 VanDerWaalsContact O-N 3.12Å; Y111-S114 CarbonylContact O-C 3.46Å; Y111-S114 PolarHBondContact O-N 3.3Å; Y111-S114 VanDerWaalsContact O-N 3.13Å; S114-P116 VanDerWaalsContact O-CD 3.3Å; S114-P116 WeakPolarHBondContact O-CD 3.23Å |
| 115 | N | 64.5 | Low | 63 | Low | 25 Ų | 25 | 131.7 Ų | 131.7 | 13% | 0.134 | 63% | 0.626 | C | S | . | * | trans | -72.2 | 114 | 179.6 | -176.2 | -8.6 | 0 | 0 | 0 | 109.3 | Y111 D117 K118 I119 | Y111-N115 WeakPolarHBondContact O-CA 3.4Å; Y111-N115 VanDerWaalsContact O-CB 3.27Å; Y111-N115 WeakPolarHBondContact O-CB 3.38Å; Y111-N115 PolarHBondContact O-N 3.17Å; N115-D117 PolarHBondContact O-N 3.33Å; N115-D117 PolarHBondContact OD1-N 3.36Å; N115-D117 VanDerWaalsContact OD1-N 3.09Å; N115-K118 HydrophobicContact CB-CB 4.3Å; N115-K118 HydrophobicContact CB-CG 4.48Å; N115-K118 PolarHBondContact O-N 3.4Å; N115-K118 VanDerWaalsContact O-N 3.09Å; N115-I119 WeakPolarHBondContact O-CG1 3.35Å; N115-I119 PolarHBondContact O-N 3.3Å | ||
| 116 | P | 64.3 | Low | 61.4 | Low | 74 Ų | 74 | 133.6 Ų | 133.6 | 48% | 0.481 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.4 | -13.7 | -177.4 | 25.3 | -33.9 | 0 | 0 | 0 | 113.8 | S114 R120 | S114-P116 VanDerWaalsContact O-CD 3.3Å; S114-P116 WeakPolarHBondContact O-CD 3.23Å; P116-R120 PolarHBondContact O-NH2 3.41Å |
| 117 | D | 64.3 | Low | 60 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -21.7 | 178.6 | -62.2 | -29.4 | 0 | 0 | 0 | 113.8 | N115 R120 | N115-D117 PolarHBondContact O-N 3.33Å; N115-D117 PolarHBondContact OD1-N 3.36Å; N115-D117 VanDerWaalsContact OD1-N 3.09Å; D117-R120 IonicContact OD1-NH2 2.65Å; D117-R120 PolarHBondContact OD1-NH2 3.02Å |
| 118 | K | 59.8 | Low | 58.6 | Low | 107 Ų | 107 | 136 Ų | 136 | 47% | 0.465 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -20.4 | 179.5 | -74.5 | -174.5 | -179.6 | 178.7 | 0 | 114.5 | D112 N115 R120 | D112-K118 IonicContact OD1-NZ 3.45Å; D112-K118 PolarHBondContact OD1-NZ 3.38Å; N115-K118 HydrophobicContact CB-CB 4.3Å; N115-K118 HydrophobicContact CB-CG 4.48Å; N115-K118 PolarHBondContact O-N 3.4Å; N115-K118 VanDerWaalsContact O-N 3.09Å; K118-R120 PolarHBondContact O-N 3.19Å |
| 119 | I | 55 | Low | 57.1 | Low | 117 Ų | 117 | 134.2 Ų | 134.2 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -11.6 | 179.9 | -61.1 | 164.9 | 0 | 0 | 0 | 112.3 | L113 N115 G121 | L113-I119 VanDerWaalsContact O-CD1 3.28Å; L113-I119 WeakPolarHBondContact O-CD1 3.18Å; N115-I119 WeakPolarHBondContact O-CG1 3.35Å; N115-I119 PolarHBondContact O-N 3.3Å; I119-G121 PolarHBondContact O-N 3.38Å |
| 120 | R | 49.6 | Very low | 56.2 | Low | 201 Ų | 201 | 125.6 Ų | 125.6 | 76% | 0.758 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -0.4 | -176.8 | -93.5 | -178.8 | -84.4 | -154.8 | 0.8 | 116.1 | P116 D117 K118 | P116-R120 PolarHBondContact O-NH2 3.41Å; D117-R120 IonicContact OD1-NH2 2.65Å; D117-R120 PolarHBondContact OD1-NH2 3.02Å; K118-R120 PolarHBondContact O-N 3.19Å |
| 121 | G | 52.4 | Low | 55.3 | Low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -163.6 | 60.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | I119 | I119-G121 PolarHBondContact O-N 3.38Š|
| 122 | Q | 45.5 | Very low | 54.8 | Low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -131.9 | 123.6 | 164.4 | -68.1 | -170 | -8 | 0 | 0 | 112.3 | ||||
| 123 | E | 43.7 | Very low | 54.9 | Low | 190 Ų | 190 | 128.3 Ų | 128.3 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | -79.5 | 142.2 | 174.8 | -67.3 | 179.7 | 156 | 0 | 0 | 110.8 | I125 | E123-I125 PolarHBondContact O-N 2.8Š| ||
| 124 | K | 41.7 | Very low | 54.8 | Low | 208 Ų | 208 | 128.4 Ų | 128.4 | 90% | 0.904 | 70% | 0.698 | S | S | * | * | trans | -72.9 | 110.5 | -175.1 | -66.8 | 175 | 179.2 | 177.1 | 0 | 110.5 | ||||
| 125 | I | 45.8 | Very low | 55.3 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 81% | 0.805 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 125 | 172.3 | -62.2 | 170.5 | 0 | 0 | 0 | 109 | E123 | E123-I125 PolarHBondContact O-N 2.8Š|
| 126 | Q | 43 | Very low | 55.6 | Low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 133.1 | 179 | -73.4 | 170.9 | -15 | 0 | 0 | 111.3 | ||
| 127 | M | 45.2 | Very low | 56.3 | Low | 159 Ų | 159 | 134 Ų | 134 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 144.5 | 179 | -71 | -70.7 | -69.2 | 0 | 0 | 111.8 | ||
| 128 | L | 51.4 | Low | 57.1 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143 | 172.6 | -80.8 | 90.8 | 0 | 0 | 0 | 111.8 | ||
| 129 | P | 48.7 | Very low | 58.2 | Low | 131 Ų | 131 | 133.1 Ų | 133.1 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -80.4 | 139 | 178.4 | -10.1 | 27 | 0 | 0 | 0 | 113.9 | ||
| 130 | G | 59.3 | Low | 59.8 | Low | 65 Ų | 65 | 128.5 Ų | 128.5 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | 112.9 | 46.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 131 | L | 58.3 | Low | 61.5 | Low | 123 Ų | 123 | 125.8 Ų | 125.8 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | trans | -92.1 | 132.3 | 172.7 | -82.9 | 153.2 | 0 | 0 | 0 | 110.9 | G133 E134 | L131-G133 PolarHBondContact O-N 3.49Å; L131-E134 VanDerWaalsContact O-CB 3.24Å; L131-E134 WeakPolarHBondContact O-CB 3.49Å; L131-E134 PolarHBondContact O-N 3.31Å | ||
| 132 | V | 61.2 | Low | 63.3 | Low | 156 Ų | 156 | 126.9 Ų | 126.9 | 95% | 0.945 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -11.7 | -177.2 | 176.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 133 | G | 68.4 | Low | 65.5 | Low | 79 Ų | 79 | 124.6 Ų | 124.6 | 81% | 0.814 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -1.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | L131 D135 | L131-G133 PolarHBondContact O-N 3.49Å; G133-D135 PolarHBondContact O-N 3.36Å |
| 134 | E | 66.6 | Low | 67.8 | Low | 138 Ų | 138 | 122 Ų | 122 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | trans | -78.1 | 107.4 | 178.5 | -135.5 | 170.1 | 178.7 | 0 | 0 | 108.8 | L131 P136 | L131-E134 VanDerWaalsContact O-CB 3.24Å; L131-E134 WeakPolarHBondContact O-CB 3.49Å; L131-E134 PolarHBondContact O-N 3.31Å; E134-P136 WeakPolarHBondContact O-CD 3.21Å | ||
| 135 | D | 73.5 | Confident | 70.2 | Confident | 54 Ų | 54 | 116.4 Ų | 116.4 | 29% | 0.289 | 64% | 0.638 | S | S | . | * | trans | -90.4 | 100.7 | 175.4 | -178.6 | 10.1 | 0 | 0 | 0 | 109.5 | G133 D137 S138 R141 | G133-D135 PolarHBondContact O-N 3.36Å; D135-D137 PolarHBondContact O-N 3.39Å; D135-D137 PolarHBondContact OD1-N 3.11Å; D135-D137 VanDerWaalsContact OD1-N 3.15Å; D135-S138 VanDerWaalsContact O-CB 3.24Å; D135-S138 WeakPolarHBondContact O-CB 3.16Å; D135-S138 PolarHBondContact O-N 2.99Å; D135-S138 VanDerWaalsContact O-N 3.08Å; D135-S138 PolarHBondContact O-OG 2.99Å; D135-R141 IonicContact OD1-NH2 3.95Å; D135-R141 IonicContact OD2-CZ 3.19Å; D135-R141 IonicContact OD2-NE 3.02Å; D135-R141 PolarHBondContact OD2-NE 3.06Å; D135-R141 IonicContact OD2-NH2 2.68Å; D135-R141 PolarHBondContact OD2-NH2 2.99Å | ||
| 136 | P | 70.9 | Confident | 72.4 | Confident | 132 Ų | 132 | 114.2 Ų | 114.2 | 86% | 0.857 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -18.9 | -178.5 | 27.2 | -34.8 | 0 | 0 | 0 | 112.8 | E134 | E134-P136 WeakPolarHBondContact O-CD 3.21Š|
| 137 | D | 77.8 | Confident | 74.8 | Confident | 99 Ų | 99 | 111.5 Ų | 111.5 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | 22.3 | 175.3 | -163.9 | 27.2 | 0 | 0 | 0 | 112.8 | D135 Q139 G140 R141 | D135-D137 PolarHBondContact O-N 3.39Å; D135-D137 PolarHBondContact OD1-N 3.11Å; D135-D137 VanDerWaalsContact OD1-N 3.15Å; D137-Q139 PolarHBondContact O-N 3.26Å; D137-G140 PolarHBondContact O-N 2.68Å; D137-G140 WeakPolarHBondContact OD1-CA 3.28Å; D137-G140 PolarHBondContact OD1-N 2.94Å; D137-R141 PolarHBondContact O-N 2.91Å |
| 138 | S | 80.5 | Confident | 77.2 | Confident | 63 Ų | 63 | 108.9 Ų | 108.9 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -53.8 | -36.4 | 175.3 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | D135 L142 | D135-S138 VanDerWaalsContact O-CB 3.24Å; D135-S138 WeakPolarHBondContact O-CB 3.16Å; D135-S138 PolarHBondContact O-N 2.99Å; D135-S138 VanDerWaalsContact O-N 3.08Å; D135-S138 PolarHBondContact O-OG 2.99Å; S138-L142 VanDerWaalsContact O-CB 3.27Å; S138-L142 WeakPolarHBondContact O-CB 3.44Å; S138-L142 PolarHBondContact O-N 3.46Å |
| 139 | Q | 84.1 | Confident | 79.2 | Confident | 142 Ų | 142 | 106.8 Ų | 106.8 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | 176.4 | -64.6 | -169.5 | 1.4 | 0 | 0 | 112.7 | D137 L142 K143 | D137-Q139 PolarHBondContact O-N 3.26Å; Q139-L142 PolarHBondContact O-N 3.17Å; Q139-K143 WeakPolarHBondContact O-CG 3.39Å; Q139-K143 PolarHBondContact O-N 2.75Å |
| 140 | G | 87.5 | Confident | 81.4 | Confident | 19 Ų | 19 | 108.5 Ų | 108.5 | 20% | 0.196 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -67.9 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | D137 K143 K144 | D137-G140 PolarHBondContact O-N 2.68Å; D137-G140 WeakPolarHBondContact OD1-CA 3.28Å; D137-G140 PolarHBondContact OD1-N 2.94Å; G140-K143 PolarHBondContact O-N 3.19Å; G140-K144 WeakPolarHBondContact O-CG 3.42Å; G140-K144 PolarHBondContact O-N 3.02Å; G140-K144 VanDerWaalsContact O-N 3.16Å |
| 141 | R | 86.3 | Confident | 83.2 | Confident | 144 Ų | 144 | 110.5 Ų | 110.5 | 54% | 0.543 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.8 | -46.1 | 172.5 | -170.4 | -166.6 | -54.9 | -128 | -1.2 | 111.8 | D135 D137 K143 K144 Q145 | D135-R141 IonicContact OD1-NH2 3.95Å; D135-R141 IonicContact OD2-CZ 3.19Å; D135-R141 IonicContact OD2-NE 3.02Å; D135-R141 PolarHBondContact OD2-NE 3.06Å; D135-R141 IonicContact OD2-NH2 2.68Å; D135-R141 PolarHBondContact OD2-NH2 2.99Å; D137-R141 PolarHBondContact O-N 2.91Å; R141-K143 PolarHBondContact O-N 3.03Å; R141-K144 PolarHBondContact O-N 2.84Å; R141-Q145 WeakPolarHBondContact O-CG 3.45Å; R141-Q145 PolarHBondContact O-N 3.05Å |
| 142 | L | 90.3 | Very high | 84.9 | Confident | 90 Ų | 90 | 111.4 Ų | 111.4 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 179.4 | -173.6 | 71.8 | 0 | 0 | 0 | 111.6 | S138 Q139 Q145 Q146 | S138-L142 VanDerWaalsContact O-CB 3.27Å; S138-L142 WeakPolarHBondContact O-CB 3.44Å; S138-L142 PolarHBondContact O-N 3.46Å; Q139-L142 PolarHBondContact O-N 3.17Å; L142-Q145 PolarHBondContact O-N 3.13Å; L142-Q146 WeakPolarHBondContact O-CB 3.36Å; L142-Q146 VanDerWaalsContact O-CG 3.31Å; L142-Q146 WeakPolarHBondContact O-CG 3.45Å; L142-Q146 PolarHBondContact O-N 3.22Å |
| 143 | K | 91.5 | Very high | 86.6 | Confident | 128 Ų | 128 | 106.3 Ų | 106.3 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.7 | -46.8 | 175.8 | -76 | 176.7 | -178 | -179.8 | 0 | 111.9 | Q139 G140 R141 Q145 Q146 E147 | Q139-K143 WeakPolarHBondContact O-CG 3.39Å; Q139-K143 PolarHBondContact O-N 2.75Å; G140-K143 PolarHBondContact O-N 3.19Å; R141-K143 PolarHBondContact O-N 3.03Å; K143-Q145 VanDerWaalsContact C-N 3.35Å; K143-Q145 PolarHBondContact O-N 3.48Å; K143-Q146 PolarHBondContact O-N 3.47Å; K143-E147 WeakPolarHBondContact O-CG 3.27Å; K143-E147 PolarHBondContact O-N 2.98Å |
| 144 | K | 91.7 | Very high | 87.9 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 176.6 | -67.9 | 178.9 | -176.9 | 174.2 | 0 | 112.4 | G140 R141 E147 Q148 | G140-K144 WeakPolarHBondContact O-CG 3.42Å; G140-K144 PolarHBondContact O-N 3.02Å; G140-K144 VanDerWaalsContact O-N 3.16Å; R141-K144 PolarHBondContact O-N 2.84Å; K144-E147 PolarHBondContact O-N 3.16Å; K144-Q148 VanDerWaalsContact O-CG 3.31Å; K144-Q148 WeakPolarHBondContact O-CG 3.47Å; K144-Q148 PolarHBondContact O-N 2.97Å |
| 145 | Q | 91.6 | Very high | 89.3 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 175.5 | -73.7 | 177.4 | -10.1 | 0 | 0 | 112.1 | R141 L142 K143 Q148 L149 | R141-Q145 WeakPolarHBondContact O-CG 3.45Å; R141-Q145 PolarHBondContact O-N 3.05Å; L142-Q145 PolarHBondContact O-N 3.13Å; K143-Q145 VanDerWaalsContact C-N 3.35Å; K143-Q145 PolarHBondContact O-N 3.48Å; Q145-Q148 PolarHBondContact O-N 3.13Å; Q145-L149 WeakPolarHBondContact O-CB 3.28Å; Q145-L149 VanDerWaalsContact O-CG 3.3Å; Q145-L149 WeakPolarHBondContact O-CG 3.25Å; Q145-L149 PolarHBondContact O-N 3.16Å |
| 146 | Q | 92.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 108.9 Ų | 108.9 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 174.5 | -75 | 175.7 | 0.8 | 0 | 0 | 111.9 | L142 K143 L149 R150 | L142-Q146 WeakPolarHBondContact O-CB 3.36Å; L142-Q146 VanDerWaalsContact O-CG 3.31Å; L142-Q146 WeakPolarHBondContact O-CG 3.45Å; L142-Q146 PolarHBondContact O-N 3.22Å; K143-Q146 PolarHBondContact O-N 3.47Å; Q146-L149 PolarHBondContact O-N 3.15Å; Q146-R150 WeakPolarHBondContact O-CB 3.5Å; Q146-R150 PolarHBondContact O-N 2.86Å |
| 147 | E | 94.1 | Very high | 91.5 | Very high | 129 Ų | 129 | 107.8 Ų | 107.8 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 175.1 | -73.1 | 169.7 | -179.7 | 0 | 0 | 111.6 | K143 K144 R150 E151 | K143-E147 WeakPolarHBondContact O-CG 3.27Å; K143-E147 PolarHBondContact O-N 2.98Å; K144-E147 PolarHBondContact O-N 3.16Å; E147-R150 PolarHBondContact O-N 2.94Å; E147-E151 WeakPolarHBondContact O-CB 3.46Å; E147-E151 PolarHBondContact O-N 3.45Å |
| 148 | Q | 94.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 109.2 Ų | 109.2 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176 | -74.2 | 174.4 | -11.2 | 0 | 0 | 112.4 | K144 Q145 R150 E151 W152 | K144-Q148 VanDerWaalsContact O-CG 3.31Å; K144-Q148 WeakPolarHBondContact O-CG 3.47Å; K144-Q148 PolarHBondContact O-N 2.97Å; Q145-Q148 PolarHBondContact O-N 3.13Å; Q148-R150 VanDerWaalsContact C-N 3.31Å; Q148-R150 PolarHBondContact O-N 3.46Å; Q148-E151 PolarHBondContact O-N 3.14Å; Q148-W152 WeakPolarHBondContact O-CB 3.33Å; Q148-W152 VanDerWaalsContact O-CG 3.32Å; Q148-W152 PolarHBondContact O-N 3.03Å |
| 149 | L | 94.2 | Very high | 93.2 | Very high | 109 Ų | 109 | 112.1 Ų | 112.1 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -38 | 177.8 | -74.2 | 170.7 | 0 | 0 | 0 | 111.9 | Q145 Q146 W152 S153 | Q145-L149 WeakPolarHBondContact O-CB 3.28Å; Q145-L149 VanDerWaalsContact O-CG 3.3Å; Q145-L149 WeakPolarHBondContact O-CG 3.25Å; Q145-L149 PolarHBondContact O-N 3.16Å; Q146-L149 PolarHBondContact O-N 3.15Å; L149-W152 HydrophobicContact CD2-CE3 4.17Å; L149-W152 HydrophobicContact CD2-CZ3 4.41Å; L149-S153 VanDerWaalsContact O-CB 3.27Å; L149-S153 WeakPolarHBondContact O-CB 3.26Å; L149-S153 PolarHBondContact O-N 3.15Å |
| 150 | R | 95.3 | Very high | 93.8 | Very high | 167 Ų | 167 | 109.7 Ų | 109.7 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 175.6 | -178.8 | 178.7 | -178.7 | -151.4 | -9 | 110.9 | Q146 E147 Q148 S153 F154 | Q146-R150 WeakPolarHBondContact O-CB 3.5Å; Q146-R150 PolarHBondContact O-N 2.86Å; E147-R150 PolarHBondContact O-N 2.94Å; Q148-R150 VanDerWaalsContact C-N 3.31Å; Q148-R150 PolarHBondContact O-N 3.46Å; R150-S153 PolarHBondContact O-N 3.15Å; R150-F154 HydrophobicContact CG-CD2 3.85Å; R150-F154 HydrophobicContact CG-CE2 3.54Å; R150-F154 WeakPolarHBondContact O-CD2 3.45Å; R150-F154 PolarHBondContact O-N 3.48Å |
| 151 | E | 95.8 | Very high | 94.3 | Very high | 107 Ų | 107 | 111.2 Ų | 111.2 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | -179.7 | -164.3 | 62.2 | -155.7 | 0 | 0 | 111.6 | E147 Q148 S153 F154 Q155 | E147-E151 WeakPolarHBondContact O-CB 3.46Å; E147-E151 PolarHBondContact O-N 3.45Å; Q148-E151 PolarHBondContact O-N 3.14Å; E151-S153 VanDerWaalsContact C-N 3.34Å; E151-S153 PolarHBondContact O-N 3.15Å; E151-F154 PolarHBondContact O-N 2.88Å; E151-Q155 WeakPolarHBondContact O-CG 3.31Å; E151-Q155 PolarHBondContact O-N 2.8Å |
| 152 | W | 96 | Very high | 94.8 | Very high | 142 Ų | 142 | 107 Ų | 107 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 174.6 | -68.4 | -22.9 | 0 | 0 | 0 | 112.5 | Q148 L149 F154 Q155 Q156 | Q148-W152 WeakPolarHBondContact O-CB 3.33Å; Q148-W152 VanDerWaalsContact O-CG 3.32Å; Q148-W152 PolarHBondContact O-N 3.03Å; L149-W152 HydrophobicContact CD2-CE3 4.17Å; L149-W152 HydrophobicContact CD2-CZ3 4.41Å; W152-F154 VanDerWaalsContact C-N 3.31Å; W152-F154 PolarHBondContact O-N 3.24Å; W152-Q155 PolarHBondContact O-N 3.49Å; W152-Q156 WeakPolarHBondContact O-CB 3.46Å; W152-Q156 WeakPolarHBondContact O-CG 3.32Å; W152-Q156 PolarHBondContact O-N 3.46Å |
| 153 | S | 95.5 | Very high | 95.1 | Very high | 50 Ų | 50 | 105 Ų | 105 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L149 R150 E151 Q157 | L149-S153 VanDerWaalsContact O-CB 3.27Å; L149-S153 WeakPolarHBondContact O-CB 3.26Å; L149-S153 PolarHBondContact O-N 3.15Å; R150-S153 PolarHBondContact O-N 3.15Å; E151-S153 VanDerWaalsContact C-N 3.34Å; E151-S153 PolarHBondContact O-N 3.15Å; S153-Q157 WeakPolarHBondContact O-CB 3.36Å; S153-Q157 WeakPolarHBondContact O-CG 3.46Å; S153-Q157 PolarHBondContact O-N 2.84Å; S153-Q157 PolarHBondContact OG-NE2 3.37Å |
| 154 | F | 96.4 | Very high | 95.4 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 176.3 | -80.6 | -57.8 | 0 | 0 | 0 | 112.1 | R150 E151 W152 Q157 H158 | R150-F154 HydrophobicContact CG-CD2 3.85Å; R150-F154 HydrophobicContact CG-CE2 3.54Å; R150-F154 WeakPolarHBondContact O-CD2 3.45Å; R150-F154 PolarHBondContact O-N 3.48Å; E151-F154 PolarHBondContact O-N 2.88Å; W152-F154 VanDerWaalsContact C-N 3.31Å; W152-F154 PolarHBondContact O-N 3.24Å; F154-Q157 PolarHBondContact O-N 3.47Å; F154-H158 WeakPolarHBondContact O-CB 3.32Å; F154-H158 PolarHBondContact O-N 2.86Å |
| 155 | Q | 96.1 | Very high | 95.7 | Very high | 92 Ų | 92 | 103.7 Ų | 103.7 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 176.1 | -71.2 | 172.1 | 4.7 | 0 | 0 | 111.2 | E151 W152 Q157 H158 E159 | E151-Q155 WeakPolarHBondContact O-CG 3.31Å; E151-Q155 PolarHBondContact O-N 2.8Å; W152-Q155 PolarHBondContact O-N 3.49Å; Q155-Q157 VanDerWaalsContact C-N 3.34Å; Q155-Q157 PolarHBondContact O-N 3.26Å; Q155-H158 PolarHBondContact O-N 3.16Å; Q155-H158 VanDerWaalsContact O-N 3.16Å; Q155-E159 WeakPolarHBondContact O-CB 3.16Å; Q155-E159 WeakPolarHBondContact O-CG 3.42Å; Q155-E159 PolarHBondContact O-N 2.91Å |
| 156 | Q | 95.4 | Very high | 95.9 | Very high | 132 Ų | 132 | 104.7 Ų | 104.7 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 176.8 | -72.8 | 178.9 | 4.2 | 0 | 0 | 112.7 | W152 H158 L160 | W152-Q156 WeakPolarHBondContact O-CB 3.46Å; W152-Q156 WeakPolarHBondContact O-CG 3.32Å; W152-Q156 PolarHBondContact O-N 3.46Å; Q156-H158 VanDerWaalsContact C-N 3.35Å; Q156-L160 WeakPolarHBondContact O-CB 3.47Å; Q156-L160 PolarHBondContact O-N 3.49Å |
| 157 | Q | 95.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 104.3 Ų | 104.3 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.4 | -77 | 174.6 | 13.2 | 0 | 0 | 111.9 | S153 F154 Q155 A161 | S153-Q157 WeakPolarHBondContact O-CB 3.36Å; S153-Q157 WeakPolarHBondContact O-CG 3.46Å; S153-Q157 PolarHBondContact O-N 2.84Å; S153-Q157 PolarHBondContact OG-NE2 3.37Å; F154-Q157 PolarHBondContact O-N 3.47Å; Q155-Q157 VanDerWaalsContact C-N 3.34Å; Q155-Q157 PolarHBondContact O-N 3.26Å; Q157-A161 VanDerWaalsContact O-CB 3.27Å; Q157-A161 WeakPolarHBondContact O-CB 3.14Å; Q157-A161 PolarHBondContact O-N 2.97Å |
| 158 | H | 96.9 | Very high | 96.3 | Very high | 130 Ų | 130 | 104.7 Ų | 104.7 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66 | -48.9 | 178.2 | -171 | 66.8 | 0 | 0 | 0 | 111.3 | F154 Q155 Q156 L160 A161 T162 | F154-H158 WeakPolarHBondContact O-CB 3.32Å; F154-H158 PolarHBondContact O-N 2.86Å; Q155-H158 PolarHBondContact O-N 3.16Å; Q155-H158 VanDerWaalsContact O-N 3.16Å; Q156-H158 VanDerWaalsContact C-N 3.35Å; H158-L160 VanDerWaalsContact C-N 3.34Å; H158-L160 PolarHBondContact O-N 3.39Å; H158-A161 PolarHBondContact O-N 3.33Å; H158-A161 VanDerWaalsContact O-N 3.13Å; H158-T162 WeakPolarHBondContact O-CG2 3.42Å; H158-T162 PolarHBondContact O-N 3.33Å; H158-T162 PolarHBondContact O-OG1 2.92Å |
| 159 | E | 96.6 | Very high | 96.4 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 176 | -72.3 | 174.7 | -176.4 | 0 | 0 | 112.2 | Q155 A161 T162 A163 | Q155-E159 WeakPolarHBondContact O-CB 3.16Å; Q155-E159 WeakPolarHBondContact O-CG 3.42Å; Q155-E159 PolarHBondContact O-N 2.91Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 2.94Å; E159-T162 WeakPolarHBondContact CA-OG1 3.37Å; E159-T162 PolarHBondContact O-N 3.24Å; E159-T162 PolarHBondContact O-OG1 3.21Å; E159-A163 VanDerWaalsContact O-CB 3.28Å; E159-A163 WeakPolarHBondContact O-CB 3.28Å; E159-A163 PolarHBondContact O-N 2.82Å |
| 160 | L | 97 | Very high | 96.6 | Very high | 90 Ų | 90 | 105 Ų | 105 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 175.6 | -175.8 | 67.5 | 0 | 0 | 0 | 111.5 | Q156 H158 R164 | Q156-L160 WeakPolarHBondContact O-CB 3.47Å; Q156-L160 PolarHBondContact O-N 3.49Å; H158-L160 VanDerWaalsContact C-N 3.34Å; H158-L160 PolarHBondContact O-N 3.39Å; L160-R164 VanDerWaalsContact O-CB 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.24Å; L160-R164 VanDerWaalsContact O-CG 3.24Å; L160-R164 WeakPolarHBondContact O-CG 3.43Å; L160-R164 PolarHBondContact O-N 3.29Å |
| 161 | A | 97 | Very high | 96.6 | Very high | 52 Ų | 52 | 101.5 Ų | 101.5 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q157 H158 E159 H165 | Q157-A161 VanDerWaalsContact O-CB 3.27Å; Q157-A161 WeakPolarHBondContact O-CB 3.14Å; Q157-A161 PolarHBondContact O-N 2.97Å; H158-A161 PolarHBondContact O-N 3.33Å; H158-A161 VanDerWaalsContact O-N 3.13Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 2.94Å; A161-H165 WeakPolarHBondContact O-CB 3.27Å; A161-H165 PolarHBondContact O-N 3.35Å |
| 162 | T | 97.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 102 Ų | 102 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | H158 E159 R164 H165 Q166 | H158-T162 WeakPolarHBondContact O-CG2 3.42Å; H158-T162 PolarHBondContact O-N 3.33Å; H158-T162 PolarHBondContact O-OG1 2.92Å; E159-T162 WeakPolarHBondContact CA-OG1 3.37Å; E159-T162 PolarHBondContact O-N 3.24Å; E159-T162 PolarHBondContact O-OG1 3.21Å; T162-R164 PolarHBondContact O-N 2.84Å; T162-H165 WeakPolarHBondContact O-CB 3.5Å; T162-H165 PolarHBondContact O-N 3.49Å; T162-H165 VanDerWaalsContact O-N 3.09Å; T162-Q166 WeakPolarHBondContact O-CG 3.36Å; T162-Q166 PolarHBondContact O-N 3.42Å |
| 163 | A | 97.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 100.9 Ų | 100.9 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E159 H165 Q166 Q167 | E159-A163 VanDerWaalsContact O-CB 3.28Å; E159-A163 WeakPolarHBondContact O-CB 3.28Å; E159-A163 PolarHBondContact O-N 2.82Å; A163-H165 VanDerWaalsContact C-N 3.26Å; A163-H165 PolarHBondContact O-N 2.92Å; A163-Q166 PolarHBondContact O-N 3.48Å; A163-Q167 WeakPolarHBondContact O-CB 3.48Å; A163-Q167 PolarHBondContact O-N 2.94Å |
| 164 | R | 97.3 | Very high | 96.9 | Very high | 147 Ų | 147 | 105.8 Ų | 105.8 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -29.6 | 174.8 | -77.9 | 176.8 | 176.3 | 179.1 | 0.2 | 113.5 | L160 T162 R168 | L160-R164 VanDerWaalsContact O-CB 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.24Å; L160-R164 VanDerWaalsContact O-CG 3.24Å; L160-R164 WeakPolarHBondContact O-CG 3.43Å; L160-R164 PolarHBondContact O-N 3.29Å; T162-R164 PolarHBondContact O-N 2.84Å; R164-R168 WeakPolarHBondContact O-CG 3.34Å; R164-R168 PolarHBondContact O-N 2.86Å; R164-R168 PolarHBondContact O-NE 2.94Å |
| 165 | H | 97.3 | Very high | 96.9 | Very high | 89 Ų | 89 | 104.5 Ų | 104.5 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.8 | -46 | 175.8 | -179.3 | -86.9 | 0 | 0 | 0 | 110.8 | A161 T162 A163 R168 Q169 | A161-H165 WeakPolarHBondContact O-CB 3.27Å; A161-H165 PolarHBondContact O-N 3.35Å; T162-H165 WeakPolarHBondContact O-CB 3.5Å; T162-H165 PolarHBondContact O-N 3.49Å; T162-H165 VanDerWaalsContact O-N 3.09Å; A163-H165 VanDerWaalsContact C-N 3.26Å; A163-H165 PolarHBondContact O-N 2.92Å; H165-R168 PolarHBondContact O-N 2.97Å; H165-Q169 PolarHBondContact CE1-NE2 2.79Å; H165-Q169 PolarHBondContact CE1-OE1 3.28Å; H165-Q169 PolarHBondContact ND1-OE1 3.07Å; H165-Q169 WeakPolarHBondContact O-CG 3.34Å; H165-Q169 PolarHBondContact O-N 3.31Å |
| 166 | Q | 96.9 | Very high | 97 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 175.6 | -71.7 | 171.5 | -9.6 | 0 | 0 | 111.1 | T162 A163 R168 Q169 E170 | T162-Q166 WeakPolarHBondContact O-CG 3.36Å; T162-Q166 PolarHBondContact O-N 3.42Å; A163-Q166 PolarHBondContact O-N 3.48Å; Q166-R168 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 3.44Å; Q166-Q169 WeakPolarHBondContact O-CB 3.41Å; Q166-Q169 PolarHBondContact O-N 3.45Å; Q166-E170 WeakPolarHBondContact O-CG 3.48Å; Q166-E170 PolarHBondContact O-N 3.31Å |
| 167 | Q | 96.9 | Very high | 97.1 | Very high | 103 Ų | 103 | 104.3 Ų | 104.3 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | 176.4 | -173.1 | -174 | -9.6 | 0 | 0 | 112 | A163 Q169 E170 E171 | A163-Q167 WeakPolarHBondContact O-CB 3.48Å; A163-Q167 PolarHBondContact O-N 2.94Å; Q167-Q169 VanDerWaalsContact C-N 3.31Å; Q167-Q169 PolarHBondContact O-N 3.47Å; Q167-E170 PolarHBondContact O-N 2.9Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.29Å; Q167-E171 PolarHBondContact NE2-OE1 2.94Å; Q167-E171 WeakPolarHBondContact O-CB 3.45Å; Q167-E171 WeakPolarHBondContact O-CG 3.3Å; Q167-E171 PolarHBondContact O-N 2.85Å |
| 168 | R | 97.6 | Very high | 97.2 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 176.8 | -81.6 | -179.1 | -75 | 156.2 | -5.7 | 112.9 | R164 H165 Q166 Q172 | R164-R168 WeakPolarHBondContact O-CG 3.34Å; R164-R168 PolarHBondContact O-N 2.86Å; R164-R168 PolarHBondContact O-NE 2.94Å; H165-R168 PolarHBondContact O-N 2.97Å; Q166-R168 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 3.44Å; R168-Q172 WeakPolarHBondContact O-CB 3.48Å; R168-Q172 WeakPolarHBondContact O-CG 3.38Å; R168-Q172 PolarHBondContact O-N 2.95Å; R168-Q172 VanDerWaalsContact O-N 3.07Å |
| 169 | Q | 97.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 176 | -71.1 | -175.7 | -46.5 | 0 | 0 | 111.5 | H165 Q166 Q167 Q172 Q173 | H165-Q169 PolarHBondContact CE1-NE2 2.79Å; H165-Q169 PolarHBondContact CE1-OE1 3.28Å; H165-Q169 PolarHBondContact ND1-OE1 3.07Å; H165-Q169 WeakPolarHBondContact O-CG 3.34Å; H165-Q169 PolarHBondContact O-N 3.31Å; Q166-Q169 WeakPolarHBondContact O-CB 3.41Å; Q166-Q169 PolarHBondContact O-N 3.45Å; Q167-Q169 VanDerWaalsContact C-N 3.31Å; Q167-Q169 PolarHBondContact O-N 3.47Å; Q169-Q172 PolarHBondContact O-N 2.89Å; Q169-Q173 WeakPolarHBondContact O-CG 3.29Å; Q169-Q173 PolarHBondContact O-N 3.04Å |
| 170 | E | 96.9 | Very high | 97.3 | Very high | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 175.6 | -69.9 | 173.8 | -179.4 | 0 | 0 | 111.4 | Q166 Q167 Q172 Q173 Y174 | Q166-E170 WeakPolarHBondContact O-CG 3.48Å; Q166-E170 PolarHBondContact O-N 3.31Å; Q167-E170 PolarHBondContact O-N 2.9Å; E170-Q172 PolarHBondContact O-N 3.12Å; E170-Q173 PolarHBondContact O-N 3.22Å; E170-Y174 WeakPolarHBondContact O-CB 3.33Å; E170-Y174 PolarHBondContact O-N 2.93Å |
| 171 | E | 96.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 101.1 Ų | 101.1 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.8 | -75.1 | 171.7 | -173.1 | 0 | 0 | 111.6 | Q167 Y174 D175 | Q167-E171 WeakPolarHBondContact CG-OE1 3.29Å; Q167-E171 PolarHBondContact NE2-OE1 2.94Å; Q167-E171 WeakPolarHBondContact O-CB 3.45Å; Q167-E171 WeakPolarHBondContact O-CG 3.3Å; Q167-E171 PolarHBondContact O-N 2.85Å; E171-Y174 PolarHBondContact O-N 3.22Å; E171-D175 PolarHBondContact O-N 3.18Å |
| 172 | Q | 97.6 | Very high | 97.4 | Very high | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 176.6 | -75.9 | 172.6 | 12.9 | 0 | 0 | 112.8 | R168 Q169 E170 D175 Q176 | R168-Q172 WeakPolarHBondContact O-CB 3.48Å; R168-Q172 WeakPolarHBondContact O-CG 3.38Å; R168-Q172 PolarHBondContact O-N 2.95Å; R168-Q172 VanDerWaalsContact O-N 3.07Å; Q169-Q172 PolarHBondContact O-N 2.89Å; E170-Q172 PolarHBondContact O-N 3.12Å; Q172-D175 PolarHBondContact O-N 2.91Å; Q172-Q176 VanDerWaalsContact O-CG 3.25Å; Q172-Q176 WeakPolarHBondContact O-CG 3.42Å; Q172-Q176 PolarHBondContact O-N 2.98Å |
| 173 | Q | 97.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 104 Ų | 104 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 175.9 | -75 | 176.5 | -12.8 | 0 | 0 | 110.8 | Q169 E170 D175 Q176 D177 | Q169-Q173 WeakPolarHBondContact O-CG 3.29Å; Q169-Q173 PolarHBondContact O-N 3.04Å; E170-Q173 PolarHBondContact O-N 3.22Å; Q173-D175 PolarHBondContact O-N 3.32Å; Q173-Q176 WeakPolarHBondContact O-CB 3.27Å; Q173-Q176 PolarHBondContact O-N 3.05Å; Q173-D177 PolarHBondContact O-N 3.03Å |
| 174 | Y | 97.4 | Very high | 97.5 | Very high | 153 Ų | 153 | 107.3 Ų | 107.3 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 176.3 | 179.3 | -97.5 | 0 | 0 | 0 | 112.3 | E170 E171 Q176 D177 R178 | E170-Y174 WeakPolarHBondContact O-CB 3.33Å; E170-Y174 PolarHBondContact O-N 2.93Å; E171-Y174 PolarHBondContact O-N 3.22Å; Y174-Q176 VanDerWaalsContact C-N 3.34Å; Y174-Q176 PolarHBondContact O-N 3.43Å; Y174-D177 PolarHBondContact O-N 2.96Å; Y174-R178 WeakPolarHBondContact O-CB 3.41Å; Y174-R178 PolarHBondContact O-N 2.97Å |
| 175 | D | 97.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.8 | -83.6 | -31 | 0 | 0 | 0 | 112.1 | E171 Q172 Q173 R178 V179 | E171-D175 PolarHBondContact O-N 3.18Å; Q172-D175 PolarHBondContact O-N 2.91Å; Q173-D175 PolarHBondContact O-N 3.32Å; D175-R178 IonicContact OD1-CZ 2.76Å; D175-R178 IonicContact OD1-NH1 3.24Å; D175-R178 IonicContact OD1-NH2 3.41Å; D175-R178 PolarHBondContact OD1-NH2 2.94Å; D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.15Å; D175-V179 VanDerWaalsContact O-N 3.09Å |
| 176 | Q | 97.8 | Very high | 97.6 | Very high | 121 Ų | 121 | 103.3 Ų | 103.3 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -49.6 | 174.4 | -73.8 | 170 | 10.5 | 0 | 0 | 111.3 | Q172 Q173 Y174 R178 V179 D180 | Q172-Q176 VanDerWaalsContact O-CG 3.25Å; Q172-Q176 WeakPolarHBondContact O-CG 3.42Å; Q172-Q176 PolarHBondContact O-N 2.98Å; Q173-Q176 WeakPolarHBondContact O-CB 3.27Å; Q173-Q176 PolarHBondContact O-N 3.05Å; Y174-Q176 VanDerWaalsContact C-N 3.34Å; Y174-Q176 PolarHBondContact O-N 3.43Å; Q176-R178 VanDerWaalsContact C-N 3.28Å; Q176-R178 PolarHBondContact O-N 2.88Å; Q176-V179 PolarHBondContact O-N 3.42Å; Q176-D180 PolarHBondContact O-N 3.2Å |
| 177 | D | 97.4 | Very high | 97.6 | Very high | 99 Ų | 99 | 103.7 Ų | 103.7 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 178.7 | -74.8 | -20.8 | 0 | 0 | 0 | 111.5 | Q173 Y174 D180 L181 | Q173-D177 PolarHBondContact O-N 3.03Å; Y174-D177 PolarHBondContact O-N 2.96Å; D177-D180 PolarHBondContact O-N 2.85Å; D177-L181 WeakPolarHBondContact O-CB 3.31Å; D177-L181 VanDerWaalsContact O-CG 3.29Å; D177-L181 WeakPolarHBondContact O-CG 3.35Å; D177-L181 PolarHBondContact O-N 2.98Å |
| 178 | R | 97.8 | Very high | 97.7 | Very high | 121 Ų | 121 | 104.5 Ų | 104.5 | 46% | 0.457 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 176 | -171.9 | -176 | 70.6 | -157.3 | -12.7 | 111.4 | Y174 D175 Q176 D180 L181 D182 | Y174-R178 WeakPolarHBondContact O-CB 3.41Å; Y174-R178 PolarHBondContact O-N 2.97Å; D175-R178 IonicContact OD1-CZ 2.76Å; D175-R178 IonicContact OD1-NH1 3.24Å; D175-R178 IonicContact OD1-NH2 3.41Å; D175-R178 PolarHBondContact OD1-NH2 2.94Å; Q176-R178 VanDerWaalsContact C-N 3.28Å; Q176-R178 PolarHBondContact O-N 2.88Å; R178-D180 VanDerWaalsContact C-N 3.31Å; R178-D180 PolarHBondContact O-N 3.29Å; R178-L181 PolarHBondContact O-N 2.95Å; R178-D182 PolarHBondContact O-N 3.48Å |
| 179 | V | 98.1 | Very high | 97.7 | Very high | 69 Ų | 69 | 102.8 Ų | 102.8 | 42% | 0.418 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | D175 Q176 L181 D182 N183 | D175-V179 WeakPolarHBondContact O-CG2 3.41Å; D175-V179 PolarHBondContact O-N 3.15Å; D175-V179 VanDerWaalsContact O-N 3.09Å; Q176-V179 PolarHBondContact O-N 3.42Å; V179-L181 PolarHBondContact O-N 3.11Å; V179-D182 PolarHBondContact O-N 3.46Å; V179-N183 WeakPolarHBondContact O-CB 3.38Å; V179-N183 VanDerWaalsContact O-CG 3.22Å; V179-N183 PolarHBondContact O-N 3.16Å; V179-N183 PolarHBondContact O-ND2 2.81Å; V179-N183 VanDerWaalsContact O-ND2 3.16Å |
| 180 | D | 97.8 | Very high | 97.8 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.8 | -81.1 | -5.9 | 0 | 0 | 0 | 112.6 | Q176 D177 R178 K184 | Q176-D180 PolarHBondContact O-N 3.2Å; D177-D180 PolarHBondContact O-N 2.85Å; R178-D180 VanDerWaalsContact C-N 3.31Å; R178-D180 PolarHBondContact O-N 3.29Å; D180-K184 WeakPolarHBondContact O-CB 3.38Å; D180-K184 WeakPolarHBondContact O-CD 3.49Å; D180-K184 VanDerWaalsContact O-CG 3.23Å; D180-K184 WeakPolarHBondContact O-CG 3.45Å; D180-K184 PolarHBondContact O-N 3.42Å |
| 181 | L | 97.9 | Very high | 97.9 | Very high | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 173.4 | -74.2 | 172.9 | 0 | 0 | 0 | 111.6 | D177 R178 V179 N183 K184 A185 | D177-L181 WeakPolarHBondContact O-CB 3.31Å; D177-L181 VanDerWaalsContact O-CG 3.29Å; D177-L181 WeakPolarHBondContact O-CG 3.35Å; D177-L181 PolarHBondContact O-N 2.98Å; R178-L181 PolarHBondContact O-N 2.95Å; V179-L181 PolarHBondContact O-N 3.11Å; L181-N183 PolarHBondContact O-N 3.42Å; L181-K184 PolarHBondContact O-N 3.44Å; L181-A185 WeakPolarHBondContact O-CB 3.31Å; L181-A185 PolarHBondContact O-N 3.39Å |
| 182 | D | 98.1 | Very high | 97.9 | Very high | 93 Ų | 93 | 99 Ų | 99 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177 | -71.4 | -20.3 | 0 | 0 | 0 | 111.3 | R178 V179 K184 A185 L186 | R178-D182 PolarHBondContact O-N 3.48Å; V179-D182 PolarHBondContact O-N 3.46Å; D182-K184 PolarHBondContact O-N 3.38Å; D182-A185 WeakPolarHBondContact O-CB 3.33Å; D182-A185 PolarHBondContact O-N 2.91Å; D182-L186 WeakPolarHBondContact O-CG 3.32Å; D182-L186 PolarHBondContact O-N 3.42Å |
| 183 | N | 98.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 97 Ų | 97 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.9 | -73.4 | -31.6 | 0 | 0 | 0 | 112 | V179 L181 A185 L186 Q187 | V179-N183 WeakPolarHBondContact O-CB 3.38Å; V179-N183 VanDerWaalsContact O-CG 3.22Å; V179-N183 PolarHBondContact O-N 3.16Å; V179-N183 PolarHBondContact O-ND2 2.81Å; V179-N183 VanDerWaalsContact O-ND2 3.16Å; L181-N183 PolarHBondContact O-N 3.42Å; N183-A185 VanDerWaalsContact C-N 3.33Å; N183-L186 PolarHBondContact O-N 3.42Å; N183-Q187 WeakPolarHBondContact O-CG 3.46Å; N183-Q187 PolarHBondContact O-N 3.23Å |
| 184 | K | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 96.8 Ų | 96.8 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.2 | -75 | 167 | -173.3 | 164.4 | 0 | 111.4 | D180 L181 D182 Q187 L188 | D180-K184 WeakPolarHBondContact O-CB 3.38Å; D180-K184 WeakPolarHBondContact O-CD 3.49Å; D180-K184 VanDerWaalsContact O-CG 3.23Å; D180-K184 WeakPolarHBondContact O-CG 3.45Å; D180-K184 PolarHBondContact O-N 3.42Å; L181-K184 PolarHBondContact O-N 3.44Å; D182-K184 PolarHBondContact O-N 3.38Å; K184-Q187 PolarHBondContact O-N 2.84Å; K184-L188 WeakPolarHBondContact O-CG 3.45Å; K184-L188 PolarHBondContact O-N 3.4Å |
| 185 | A | 97.7 | Very high | 98 | Very high | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L181 D182 N183 L188 Q189 | L181-A185 WeakPolarHBondContact O-CB 3.31Å; L181-A185 PolarHBondContact O-N 3.39Å; D182-A185 WeakPolarHBondContact O-CB 3.33Å; D182-A185 PolarHBondContact O-N 2.91Å; N183-A185 VanDerWaalsContact C-N 3.33Å; A185-L188 PolarHBondContact O-N 3.22Å; A185-Q189 PolarHBondContact O-N 2.93Å |
| 186 | L | 98.4 | Very high | 98 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.4 | -71 | 173 | 0 | 0 | 0 | 112.1 | D182 N183 L188 Q189 T190 | D182-L186 WeakPolarHBondContact O-CG 3.32Å; D182-L186 PolarHBondContact O-N 3.42Å; N183-L186 PolarHBondContact O-N 3.42Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 2.87Å; L186-Q189 WeakPolarHBondContact O-CB 3.33Å; L186-Q189 PolarHBondContact O-N 2.84Å; L186-T190 WeakPolarHBondContact O-CG2 3.4Å; L186-T190 PolarHBondContact O-N 3.23Å; L186-T190 PolarHBondContact O-OG1 2.92Å |
| 187 | Q | 98.3 | Very high | 98 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 177 | -71.9 | 174.1 | 3.9 | 0 | 0 | 112.4 | N183 K184 Q189 T190 I191 | N183-Q187 WeakPolarHBondContact O-CG 3.46Å; N183-Q187 PolarHBondContact O-N 3.23Å; K184-Q187 PolarHBondContact O-N 2.84Å; Q187-Q189 VanDerWaalsContact C-N 3.34Å; Q187-T190 WeakPolarHBondContact CA-OG1 3.39Å; Q187-T190 PolarHBondContact O-N 3Å; Q187-T190 PolarHBondContact O-OG1 3.45Å; Q187-I191 WeakPolarHBondContact O-CD1 3.37Å; Q187-I191 VanDerWaalsContact O-CG1 3.25Å; Q187-I191 WeakPolarHBondContact O-CG1 3.45Å; Q187-I191 PolarHBondContact O-N 3.41Å |
| 188 | L | 98.1 | Very high | 98.1 | Very high | 120 Ų | 120 | 103.2 Ų | 103.2 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 176.4 | -72.9 | 173.8 | 0 | 0 | 0 | 111.4 | K184 A185 L186 I191 E192 | K184-L188 WeakPolarHBondContact O-CG 3.45Å; K184-L188 PolarHBondContact O-N 3.4Å; A185-L188 PolarHBondContact O-N 3.22Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 2.87Å; L188-I191 PolarHBondContact O-N 2.97Å; L188-E192 WeakPolarHBondContact O-CB 3.49Å; L188-E192 PolarHBondContact O-N 3.49Å |
| 189 | Q | 98.3 | Very high | 98.1 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.4 | -175.4 | -176.6 | -16.2 | 0 | 0 | 111.5 | A185 L186 Q187 I191 E192 E193 | A185-Q189 PolarHBondContact O-N 2.93Å; L186-Q189 WeakPolarHBondContact O-CB 3.33Å; L186-Q189 PolarHBondContact O-N 2.84Å; Q187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-I191 PolarHBondContact O-N 3.25Å; Q189-E192 PolarHBondContact O-N 3.43Å; Q189-E193 PolarHBondContact NE2-OE1 3.36Å; Q189-E193 WeakPolarHBondContact O-CG 3.21Å; Q189-E193 PolarHBondContact O-N 3.31Å |
| 190 | T | 98.4 | Very high | 98.1 | Very high | 71 Ų | 71 | 101.4 Ų | 101.4 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 179 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | L186 Q187 E192 E193 E194 | L186-T190 WeakPolarHBondContact O-CG2 3.4Å; L186-T190 PolarHBondContact O-N 3.23Å; L186-T190 PolarHBondContact O-OG1 2.92Å; Q187-T190 WeakPolarHBondContact CA-OG1 3.39Å; Q187-T190 PolarHBondContact O-N 3Å; Q187-T190 PolarHBondContact O-OG1 3.45Å; T190-E192 VanDerWaalsContact C-N 3.34Å; T190-E192 PolarHBondContact O-N 2.94Å; T190-E193 PolarHBondContact O-N 3.5Å; T190-E194 WeakPolarHBondContact O-CG 3.46Å; T190-E194 PolarHBondContact O-N 2.88Å |
| 191 | I | 98.1 | Very high | 98.1 | Very high | 68 Ų | 68 | 102.1 Ų | 102.1 | 35% | 0.349 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 177.3 | -68.3 | 165.6 | 0 | 0 | 0 | 110.8 | Q187 L188 Q189 E194 R195 | Q187-I191 WeakPolarHBondContact O-CD1 3.37Å; Q187-I191 VanDerWaalsContact O-CG1 3.25Å; Q187-I191 WeakPolarHBondContact O-CG1 3.45Å; Q187-I191 PolarHBondContact O-N 3.41Å; L188-I191 PolarHBondContact O-N 2.97Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-I191 PolarHBondContact O-N 3.25Å; I191-E194 PolarHBondContact O-N 3.36Å; I191-R195 WeakPolarHBondContact O-CB 3.36Å; I191-R195 VanDerWaalsContact O-CG 3.27Å; I191-R195 WeakPolarHBondContact O-CG 3.49Å; I191-R195 PolarHBondContact O-N 2.96Å |
| 192 | E | 97.9 | Very high | 98.2 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.7 | -166.9 | -174.9 | 171.2 | 0 | 0 | 111.6 | L188 Q189 T190 E194 R195 R196 | L188-E192 WeakPolarHBondContact O-CB 3.49Å; L188-E192 PolarHBondContact O-N 3.49Å; Q189-E192 PolarHBondContact O-N 3.43Å; T190-E192 VanDerWaalsContact C-N 3.34Å; T190-E192 PolarHBondContact O-N 2.94Å; E192-E194 VanDerWaalsContact C-N 3.34Å; E192-E194 PolarHBondContact O-N 3.17Å; E192-R195 PolarHBondContact O-N 3.49Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 2.91Å; E192-R196 IonicContact OE1-CZ 3.46Å; E192-R196 VanDerWaalsContact OE1-CZ 3.24Å; E192-R196 IonicContact OE1-NE 3.4Å; E192-R196 PolarHBondContact OE1-NE 2.92Å; E192-R196 VanDerWaalsContact OE1-NE 3.15Å; E192-R196 IonicContact OE1-NH2 2.71Å; E192-R196 PolarHBondContact OE1-NH2 3.37Å |
| 193 | E | 97.8 | Very high | 98.2 | Very high | 74 Ų | 74 | 98.5 Ų | 98.5 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 175.5 | -74 | -178.2 | -161.9 | 0 | 0 | 111.8 | Q189 T190 R196 R197 | Q189-E193 PolarHBondContact NE2-OE1 3.36Å; Q189-E193 WeakPolarHBondContact O-CG 3.21Å; Q189-E193 PolarHBondContact O-N 3.31Å; T190-E193 PolarHBondContact O-N 3.5Å; E193-R196 PolarHBondContact O-N 2.8Å; E193-R197 VanDerWaalsContact O-CG 3.26Å; E193-R197 WeakPolarHBondContact O-CG 3.45Å; E193-R197 PolarHBondContact O-N 3.26Å; E193-R197 IonicContact OE2-NH2 3.59Å; E193-R197 PolarHBondContact OE2-NH2 3.25Å |
| 194 | E | 98.2 | Very high | 98.2 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 174.8 | -74.7 | 176 | 175.5 | 0 | 0 | 111.7 | T190 I191 E192 R196 R197 T198 | T190-E194 WeakPolarHBondContact O-CG 3.46Å; T190-E194 PolarHBondContact O-N 2.88Å; I191-E194 PolarHBondContact O-N 3.36Å; E192-E194 VanDerWaalsContact C-N 3.34Å; E192-E194 PolarHBondContact O-N 3.17Å; E194-R196 VanDerWaalsContact C-N 3.35Å; E194-R196 PolarHBondContact O-N 3.24Å; E194-R197 WeakPolarHBondContact O-CB 3.48Å; E194-R197 PolarHBondContact O-N 2.96Å; E194-T198 WeakPolarHBondContact O-CG2 3.45Å; E194-T198 PolarHBondContact O-N 2.95Å; E194-T198 PolarHBondContact O-OG1 3.46Å |
| 195 | R | 97.7 | Very high | 98.2 | Very high | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 175.5 | -73.9 | 173.3 | -175.7 | 176.8 | 3.8 | 112.1 | I191 E192 R197 T198 V199 | I191-R195 WeakPolarHBondContact O-CB 3.36Å; I191-R195 VanDerWaalsContact O-CG 3.27Å; I191-R195 WeakPolarHBondContact O-CG 3.49Å; I191-R195 PolarHBondContact O-N 2.96Å; E192-R195 PolarHBondContact O-N 3.49Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.48Å; R195-T198 WeakPolarHBondContact CA-OG1 3.43Å; R195-T198 PolarHBondContact O-N 2.84Å; R195-T198 PolarHBondContact O-OG1 3.32Å; R195-V199 WeakPolarHBondContact O-CB 3.35Å; R195-V199 VanDerWaalsContact O-CG2 3.26Å; R195-V199 WeakPolarHBondContact O-CG2 3.36Å; R195-V199 PolarHBondContact O-N 3.47Å |
| 196 | R | 98.1 | Very high | 98.2 | Very high | 163 Ų | 163 | 103.9 Ų | 103.9 | 62% | 0.615 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 176.1 | -72.3 | 174.8 | -178.1 | -164.2 | 2.3 | 111 | E192 E193 E194 A200 | E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 2.91Å; E192-R196 IonicContact OE1-CZ 3.46Å; E192-R196 VanDerWaalsContact OE1-CZ 3.24Å; E192-R196 IonicContact OE1-NE 3.4Å; E192-R196 PolarHBondContact OE1-NE 2.92Å; E192-R196 VanDerWaalsContact OE1-NE 3.15Å; E192-R196 IonicContact OE1-NH2 2.71Å; E192-R196 PolarHBondContact OE1-NH2 3.37Å; E193-R196 PolarHBondContact O-N 2.8Å; E194-R196 VanDerWaalsContact C-N 3.35Å; E194-R196 PolarHBondContact O-N 3.24Å; R196-A200 WeakPolarHBondContact O-CB 3.26Å; R196-A200 PolarHBondContact O-N 2.94Å |
| 197 | R | 98.3 | Very high | 98.2 | Very high | 160 Ų | 160 | 103.5 Ų | 103.5 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 176 | -70.2 | 172 | -166.6 | 179.2 | 9.3 | 111.8 | E193 E194 R195 A200 L201 | E193-R197 VanDerWaalsContact O-CG 3.26Å; E193-R197 WeakPolarHBondContact O-CG 3.45Å; E193-R197 PolarHBondContact O-N 3.26Å; E193-R197 IonicContact OE2-NH2 3.59Å; E193-R197 PolarHBondContact OE2-NH2 3.25Å; E194-R197 WeakPolarHBondContact O-CB 3.48Å; E194-R197 PolarHBondContact O-N 2.96Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.48Å; R197-A200 PolarHBondContact O-N 3.45Å; R197-L201 WeakPolarHBondContact O-CB 3.47Å; R197-L201 WeakPolarHBondContact O-CG 3.35Å; R197-L201 PolarHBondContact O-N 2.88Å |
| 198 | T | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 102.8 Ų | 102.8 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 179.7 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | E194 R195 L201 A202 | E194-T198 WeakPolarHBondContact O-CG2 3.45Å; E194-T198 PolarHBondContact O-N 2.95Å; E194-T198 PolarHBondContact O-OG1 3.46Å; R195-T198 WeakPolarHBondContact CA-OG1 3.43Å; R195-T198 PolarHBondContact O-N 2.84Å; R195-T198 PolarHBondContact O-OG1 3.32Å; T198-L201 PolarHBondContact O-N 3.19Å; T198-A202 WeakPolarHBondContact O-CB 3.45Å; T198-A202 PolarHBondContact O-N 3.17Å |
| 199 | V | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -47.4 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | R195 L201 A202 T203 | R195-V199 WeakPolarHBondContact O-CB 3.35Å; R195-V199 VanDerWaalsContact O-CG2 3.26Å; R195-V199 WeakPolarHBondContact O-CG2 3.36Å; R195-V199 PolarHBondContact O-N 3.47Å; V199-L201 VanDerWaalsContact C-N 3.34Å; V199-L201 PolarHBondContact O-N 2.94Å; V199-A202 PolarHBondContact O-N 2.98Å; V199-T203 PolarHBondContact O-N 2.71Å; V199-T203 PolarHBondContact O-OG1 2.88Å; V199-T203 VanDerWaalsContact O-OG1 3.09Å |
| 200 | A | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 99.3 Ų | 99.3 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R196 R197 T203 K204 | R196-A200 WeakPolarHBondContact O-CB 3.26Å; R196-A200 PolarHBondContact O-N 2.94Å; R197-A200 PolarHBondContact O-N 3.45Å; A200-T203 PolarHBondContact O-N 3.06Å; A200-K204 WeakPolarHBondContact O-CB 3.36Å; A200-K204 PolarHBondContact O-N 2.88Å |
| 201 | L | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 175 | -72.7 | 174.6 | 0 | 0 | 0 | 111.9 | R197 T198 V199 K204 N205 | R197-L201 WeakPolarHBondContact O-CB 3.47Å; R197-L201 WeakPolarHBondContact O-CG 3.35Å; R197-L201 PolarHBondContact O-N 2.88Å; T198-L201 PolarHBondContact O-N 3.19Å; V199-L201 VanDerWaalsContact C-N 3.34Å; V199-L201 PolarHBondContact O-N 2.94Å; L201-K204 PolarHBondContact O-N 3.36Å; L201-N205 WeakPolarHBondContact O-CB 3.1Å; L201-N205 PolarHBondContact O-N 3.44Å; L201-N205 PolarHBondContact O-ND2 2.92Å |
| 202 | A | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T198 V199 N205 F206 | T198-A202 WeakPolarHBondContact O-CB 3.45Å; T198-A202 PolarHBondContact O-N 3.17Å; V199-A202 PolarHBondContact O-N 2.98Å; A202-N205 PolarHBondContact O-N 2.86Å; A202-F206 WeakPolarHBondContact O-CB 3.39Å; A202-F206 PolarHBondContact O-N 2.94Å |
| 203 | T | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 98.1 Ų | 98.1 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | V199 A200 F206 N207 | V199-T203 PolarHBondContact O-N 2.71Å; V199-T203 PolarHBondContact O-OG1 2.88Å; V199-T203 VanDerWaalsContact O-OG1 3.09Å; A200-T203 PolarHBondContact O-N 3.06Å; T203-F206 PolarHBondContact O-N 3.35Å; T203-N207 WeakPolarHBondContact O-CB 3.4Å; T203-N207 PolarHBondContact O-N 2.9Å; T203-N207 PolarHBondContact O-ND2 3.47Å |
| 204 | K | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -49 | 175.4 | 179 | -172.1 | 173.6 | -174.9 | 0 | 111.1 | A200 L201 N207 L208 | A200-K204 WeakPolarHBondContact O-CB 3.36Å; A200-K204 PolarHBondContact O-N 2.88Å; L201-K204 PolarHBondContact O-N 3.36Å; K204-N207 PolarHBondContact O-N 3.48Å; K204-L208 WeakPolarHBondContact O-CB 3.38Å; K204-L208 PolarHBondContact O-N 3.47Å |
| 205 | N | 98.2 | Very high | 98.1 | Very high | 93 Ų | 93 | 95.3 Ų | 95.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | -179.3 | -70.1 | -13.5 | 0 | 0 | 0 | 111 | L201 A202 N207 L208 T209 | L201-N205 WeakPolarHBondContact O-CB 3.1Å; L201-N205 PolarHBondContact O-N 3.44Å; L201-N205 PolarHBondContact O-ND2 2.92Å; A202-N205 PolarHBondContact O-N 2.86Å; N205-N207 PolarHBondContact O-N 3.27Å; N205-L208 PolarHBondContact O-N 2.96Å; N205-T209 WeakPolarHBondContact O-CG2 3.35Å; N205-T209 PolarHBondContact O-N 3.13Å; N205-T209 PolarHBondContact O-OG1 3.17Å |
| 206 | F | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 92.6 Ų | 92.6 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 174.7 | 178.1 | -95.6 | 0 | 0 | 0 | 112.7 | A202 T203 L208 T209 K210 | A202-F206 WeakPolarHBondContact O-CB 3.39Å; A202-F206 PolarHBondContact O-N 2.94Å; T203-F206 PolarHBondContact O-N 3.35Å; F206-L208 VanDerWaalsContact C-N 3.31Å; F206-L208 PolarHBondContact O-N 3.4Å; F206-T209 WeakPolarHBondContact CA-OG1 3.34Å; F206-T209 PolarHBondContact O-N 2.9Å; F206-T209 PolarHBondContact O-OG1 3.35Å; F206-K210 VanDerWaalsContact O-CB 3.29Å; F206-K210 WeakPolarHBondContact O-CB 3.47Å; F206-K210 PolarHBondContact O-N 3.32Å |
| 207 | N | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 90.1 Ų | 90.1 | 49% | 0.492 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 177.4 | -71.4 | -14.5 | 0 | 0 | 0 | 111.6 | T203 K204 N205 K210 A211 | T203-N207 WeakPolarHBondContact O-CB 3.4Å; T203-N207 PolarHBondContact O-N 2.9Å; T203-N207 PolarHBondContact O-ND2 3.47Å; K204-N207 PolarHBondContact O-N 3.48Å; N205-N207 PolarHBondContact O-N 3.27Å; N207-K210 PolarHBondContact O-N 3.13Å; N207-A211 WeakPolarHBondContact O-CB 3.43Å; N207-A211 PolarHBondContact O-N 3.02Å |
| 208 | L | 98.3 | Very high | 98 | Very high | 104 Ų | 104 | 91.1 Ų | 91.1 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -49.5 | 176.3 | -169.8 | 155 | 0 | 0 | 0 | 110.9 | K204 N205 F206 K210 A211 T212 | K204-L208 WeakPolarHBondContact O-CB 3.38Å; K204-L208 PolarHBondContact O-N 3.47Å; N205-L208 PolarHBondContact O-N 2.96Å; F206-L208 VanDerWaalsContact C-N 3.31Å; F206-L208 PolarHBondContact O-N 3.4Å; L208-K210 PolarHBondContact O-N 2.93Å; L208-A211 WeakPolarHBondContact O-CB 3.47Å; L208-A211 PolarHBondContact O-N 3.39Å; L208-A211 VanDerWaalsContact O-N 3.14Å; L208-T212 HydrophobicContact CD2-CG2 4.2Å; L208-T212 PolarHBondContact O-N 3.4Å; L208-T212 PolarHBondContact O-OG1 3.34Å |
| 209 | T | 98.2 | Very high | 97.9 | Very high | 67 Ų | 67 | 93.8 Ų | 93.8 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 175.9 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | N205 F206 A211 T212 E213 | N205-T209 WeakPolarHBondContact O-CG2 3.35Å; N205-T209 PolarHBondContact O-N 3.13Å; N205-T209 PolarHBondContact O-OG1 3.17Å; F206-T209 WeakPolarHBondContact CA-OG1 3.34Å; F206-T209 PolarHBondContact O-N 2.9Å; F206-T209 PolarHBondContact O-OG1 3.35Å; T209-A211 VanDerWaalsContact C-N 3.35Å; T209-A211 PolarHBondContact O-N 2.93Å; T209-T212 WeakPolarHBondContact CA-OG1 3.46Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-T212 PolarHBondContact O-OG1 2.94Å; T209-E213 WeakPolarHBondContact O-CB 3.49Å; T209-E213 WeakPolarHBondContact O-CG 3.5Å; T209-E213 PolarHBondContact O-N 2.91Å |
| 210 | K | 97.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 95 Ų | 95 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.7 | -35.6 | 176.8 | -160.2 | 59.1 | 174.6 | -178.9 | 0 | 113 | F206 N207 L208 E213 N214 | F206-K210 VanDerWaalsContact O-CB 3.29Å; F206-K210 WeakPolarHBondContact O-CB 3.47Å; F206-K210 PolarHBondContact O-N 3.32Å; N207-K210 PolarHBondContact O-N 3.13Å; L208-K210 PolarHBondContact O-N 2.93Å; K210-E213 WeakPolarHBondContact CD-OE2 3.45Å; K210-E213 IonicContact NZ-OE2 2.84Å; K210-E213 PolarHBondContact NZ-OE2 3.31Å; K210-N214 WeakPolarHBondContact O-CB 3.28Å; K210-N214 PolarHBondContact O-N 2.95Å; K210-N214 PolarHBondContact O-ND2 3.37Å |
| 211 | A | 98 | Very high | 97.8 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N207 L208 T209 N214 A215 | N207-A211 WeakPolarHBondContact O-CB 3.43Å; N207-A211 PolarHBondContact O-N 3.02Å; L208-A211 WeakPolarHBondContact O-CB 3.47Å; L208-A211 PolarHBondContact O-N 3.39Å; L208-A211 VanDerWaalsContact O-N 3.14Å; T209-A211 VanDerWaalsContact C-N 3.35Å; T209-A211 PolarHBondContact O-N 2.93Å; A211-N214 PolarHBondContact O-N 2.89Å; A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.28Å |
| 212 | T | 97.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 99.3 Ų | 99.3 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 176.4 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | L208 T209 N214 A215 E216 | L208-T212 HydrophobicContact CD2-CG2 4.2Å; L208-T212 PolarHBondContact O-N 3.4Å; L208-T212 PolarHBondContact O-OG1 3.34Å; T209-T212 WeakPolarHBondContact CA-OG1 3.46Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-T212 PolarHBondContact O-OG1 2.94Å; T212-N214 VanDerWaalsContact C-N 3.3Å; T212-N214 PolarHBondContact O-N 3.39Å; T212-A215 PolarHBondContact O-N 3.48Å; T212-A215 VanDerWaalsContact O-N 3.15Å; T212-E216 WeakPolarHBondContact O-CG 3.29Å; T212-E216 PolarHBondContact O-N 3.15Å |
| 213 | E | 97.6 | Very high | 97.7 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.9 | -44.3 | 174.3 | -77.8 | 178.6 | -168.1 | 0 | 0 | 111.9 | T209 K210 E216 K217 | T209-E213 WeakPolarHBondContact O-CB 3.49Å; T209-E213 WeakPolarHBondContact O-CG 3.5Å; T209-E213 PolarHBondContact O-N 2.91Å; K210-E213 WeakPolarHBondContact CD-OE2 3.45Å; K210-E213 IonicContact NZ-OE2 2.84Å; K210-E213 PolarHBondContact NZ-OE2 3.31Å; E213-E216 PolarHBondContact O-N 3.33Å; E213-K217 WeakPolarHBondContact O-CG 3.47Å; E213-K217 PolarHBondContact O-N 3.01Å |
| 214 | N | 97.5 | Very high | 97.7 | Very high | 71 Ų | 71 | 102 Ų | 102 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 179.3 | -74.1 | -17.1 | 0 | 0 | 0 | 112.1 | K210 A211 T212 K217 R218 | K210-N214 WeakPolarHBondContact O-CB 3.28Å; K210-N214 PolarHBondContact O-N 2.95Å; K210-N214 PolarHBondContact O-ND2 3.37Å; A211-N214 PolarHBondContact O-N 2.89Å; T212-N214 VanDerWaalsContact C-N 3.3Å; T212-N214 PolarHBondContact O-N 3.39Å; N214-K217 PolarHBondContact O-N 3.11Å; N214-R218 WeakPolarHBondContact O-CG 3.49Å; N214-R218 PolarHBondContact O-N 3.46Å |
| 215 | A | 97.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A211 T212 K217 R218 W219 | A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.28Å; T212-A215 PolarHBondContact O-N 3.48Å; T212-A215 VanDerWaalsContact O-N 3.15Å; A215-K217 PolarHBondContact O-N 2.99Å; A215-R218 PolarHBondContact O-N 3.45Å; A215-W219 WeakPolarHBondContact O-CB 3.35Å; A215-W219 PolarHBondContact O-N 2.93Å |
| 216 | E | 97.1 | Very high | 97.5 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.3 | -73.1 | 177.9 | -169.9 | 0 | 0 | 112.3 | T212 E213 W219 K220 | T212-E216 WeakPolarHBondContact O-CG 3.29Å; T212-E216 PolarHBondContact O-N 3.15Å; E213-E216 PolarHBondContact O-N 3.33Å; E216-W219 PolarHBondContact O-N 3.46Å; E216-K220 WeakPolarHBondContact O-CG 3.34Å; E216-K220 PolarHBondContact O-N 3.14Å |
| 217 | K | 97.4 | Very high | 97.5 | Very high | 111 Ų | 111 | 101.4 Ų | 101.4 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.2 | -76.4 | 179 | -178.7 | -171.5 | 0 | 111.8 | E213 N214 A215 W219 K220 E221 | E213-K217 WeakPolarHBondContact O-CG 3.47Å; E213-K217 PolarHBondContact O-N 3.01Å; N214-K217 PolarHBondContact O-N 3.11Å; A215-K217 PolarHBondContact O-N 2.99Å; K217-W219 VanDerWaalsContact C-N 3.26Å; K217-W219 PolarHBondContact O-N 3.16Å; K217-K220 PolarHBondContact O-N 3.32Å; K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 3.45Å |
| 218 | R | 97.4 | Very high | 97.4 | Very high | 181 Ų | 181 | 101.9 Ų | 101.9 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.1 | -38.6 | 177 | -73.5 | 176.9 | -180 | -179.7 | 0.9 | 112.1 | N214 A215 E221 W222 | N214-R218 WeakPolarHBondContact O-CG 3.49Å; N214-R218 PolarHBondContact O-N 3.46Å; A215-R218 PolarHBondContact O-N 3.45Å; R218-E221 PolarHBondContact O-N 2.98Å; R218-W222 VanDerWaalsContact O-CB 3.31Å; R218-W222 WeakPolarHBondContact O-CB 3.37Å; R218-W222 PolarHBondContact O-N 3.2Å |
| 219 | W | 97 | Very high | 97.3 | Very high | 143 Ų | 143 | 100.9 Ų | 100.9 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.1 | -177.1 | 81.3 | 0 | 0 | 0 | 111.6 | A215 E216 K217 W222 Q223 | A215-W219 WeakPolarHBondContact O-CB 3.35Å; A215-W219 PolarHBondContact O-N 2.93Å; E216-W219 PolarHBondContact O-N 3.46Å; K217-W219 VanDerWaalsContact C-N 3.26Å; K217-W219 PolarHBondContact O-N 3.16Å; W219-W222 PolarHBondContact O-N 3.09Å; W219-Q223 HydrophobicContact CD2-CG 4.27Å; W219-Q223 HydrophobicContact CE3-CG 4.39Å; W219-Q223 HydrophobicContact CH2-CG 4.3Å; W219-Q223 VanDerWaalsContact CZ2-CD 3.43Å; W219-Q223 HydrophobicContact CZ2-CG 4.13Å; W219-Q223 VanDerWaalsContact CZ3-CD 3.48Å; W219-Q223 HydrophobicContact CZ3-CG 4.4Å; W219-Q223 WeakPolarHBondContact O-CG 3.45Å; W219-Q223 PolarHBondContact O-N 2.9Å |
| 220 | K | 97.1 | Very high | 97.3 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174 | -71.4 | 176.3 | -177.3 | 175.9 | 0 | 112.4 | E216 K217 W222 Q223 Q224 | E216-K220 WeakPolarHBondContact O-CG 3.34Å; E216-K220 PolarHBondContact O-N 3.14Å; K217-K220 PolarHBondContact O-N 3.32Å; K220-W222 VanDerWaalsContact C-N 3.31Å; K220-W222 PolarHBondContact O-N 3.33Å; K220-Q223 PolarHBondContact O-N 2.91Å; K220-Q224 WeakPolarHBondContact O-CG 3.42Å; K220-Q224 PolarHBondContact O-N 3.45Å |
| 221 | E | 97.4 | Very high | 97.2 | Very high | 107 Ų | 107 | 105.8 Ų | 105.8 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.2 | -73.5 | 167 | -172.8 | 0 | 0 | 111 | K217 R218 Q224 Q225 | K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 3.45Å; R218-E221 PolarHBondContact O-N 2.98Å; E221-Q224 PolarHBondContact O-N 2.9Å; E221-Q225 WeakPolarHBondContact O-CG 3.37Å; E221-Q225 PolarHBondContact O-N 3.38Å |
| 222 | W | 97.8 | Very high | 97.1 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.6 | 176.9 | 77.6 | 0 | 0 | 0 | 112 | R218 W219 K220 Q225 E226 | R218-W222 VanDerWaalsContact O-CB 3.31Å; R218-W222 WeakPolarHBondContact O-CB 3.37Å; R218-W222 PolarHBondContact O-N 3.2Å; W219-W222 PolarHBondContact O-N 3.09Å; K220-W222 VanDerWaalsContact C-N 3.31Å; K220-W222 PolarHBondContact O-N 3.33Å; W222-Q225 PolarHBondContact O-N 3.14Å; W222-E226 PolarHBondContact O-N 3.47Å |
| 223 | Q | 97.2 | Very high | 96.9 | Very high | 71 Ų | 71 | 108.2 Ų | 108.2 | 33% | 0.332 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 175 | -76.2 | -163.3 | -46 | 0 | 0 | 112.2 | W219 K220 Q225 E226 E227 | W219-Q223 HydrophobicContact CD2-CG 4.27Å; W219-Q223 HydrophobicContact CE3-CG 4.39Å; W219-Q223 HydrophobicContact CH2-CG 4.3Å; W219-Q223 VanDerWaalsContact CZ2-CD 3.43Å; W219-Q223 HydrophobicContact CZ2-CG 4.13Å; W219-Q223 VanDerWaalsContact CZ3-CD 3.48Å; W219-Q223 HydrophobicContact CZ3-CG 4.4Å; W219-Q223 WeakPolarHBondContact O-CG 3.45Å; W219-Q223 PolarHBondContact O-N 2.9Å; K220-Q223 PolarHBondContact O-N 2.91Å; Q223-Q225 VanDerWaalsContact C-N 3.34Å; Q223-Q225 PolarHBondContact O-N 3.34Å; Q223-E226 PolarHBondContact O-N 3.24Å; Q223-E226 VanDerWaalsContact O-N 3.17Å; Q223-E227 WeakPolarHBondContact O-CG 3.38Å; Q223-E227 PolarHBondContact O-N 3.31Å |
| 224 | Q | 96.7 | Very high | 96.8 | Very high | 116 Ų | 116 | 107.8 Ų | 107.8 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.5 | -75 | 176.4 | -18.2 | 0 | 0 | 111.2 | K220 E221 E226 E227 D228 | K220-Q224 WeakPolarHBondContact O-CG 3.42Å; K220-Q224 PolarHBondContact O-N 3.45Å; E221-Q224 PolarHBondContact O-N 2.9Å; Q224-E226 VanDerWaalsContact C-N 3.28Å; Q224-E226 PolarHBondContact O-N 2.88Å; Q224-E227 PolarHBondContact O-N 2.83Å; Q224-D228 WeakPolarHBondContact O-CB 3.35Å; Q224-D228 VanDerWaalsContact O-CG 3.22Å; Q224-D228 PolarHBondContact O-N 2.98Å |
| 225 | Q | 96.9 | Very high | 96.6 | Very high | 117 Ų | 117 | 109.2 Ų | 109.2 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 174.8 | -76.3 | 179.5 | -5.1 | 0 | 0 | 112.1 | E221 W222 Q223 D228 N229 | E221-Q225 WeakPolarHBondContact O-CG 3.37Å; E221-Q225 PolarHBondContact O-N 3.38Å; W222-Q225 PolarHBondContact O-N 3.14Å; Q223-Q225 VanDerWaalsContact C-N 3.34Å; Q223-Q225 PolarHBondContact O-N 3.34Å; Q225-D228 PolarHBondContact O-N 3.36Å; Q225-N229 VanDerWaalsContact O-CB 3.29Å; Q225-N229 WeakPolarHBondContact O-CB 3.33Å; Q225-N229 PolarHBondContact O-N 3.44Å; Q225-N229 PolarHBondContact O-ND2 3.48Å; Q225-N229 VanDerWaalsContact O-ND2 3.16Å; Q225-N229 PolarHBondContact O-OD1 3.5Å |
| 226 | E | 96.5 | Very high | 96.3 | Very high | 101 Ų | 101 | 111.2 Ų | 111.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.6 | -37.3 | 178.9 | -161.7 | 64.9 | -171 | 0 | 0 | 112.2 | W222 Q223 Q224 R230 | W222-E226 PolarHBondContact O-N 3.47Å; Q223-E226 PolarHBondContact O-N 3.24Å; Q223-E226 VanDerWaalsContact O-N 3.17Å; Q224-E226 VanDerWaalsContact C-N 3.28Å; Q224-E226 PolarHBondContact O-N 2.88Å; E226-R230 VanDerWaalsContact O-CB 3.3Å; E226-R230 WeakPolarHBondContact O-CB 3.45Å; E226-R230 PolarHBondContact O-N 3.33Å |
| 227 | E | 97.4 | Very high | 96 | Very high | 128 Ų | 128 | 110.8 Ų | 110.8 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -45.7 | 171.6 | -72 | -179.2 | 172.8 | 0 | 0 | 111.3 | Q223 Q224 R230 T231 | Q223-E227 WeakPolarHBondContact O-CG 3.38Å; Q223-E227 PolarHBondContact O-N 3.31Å; Q224-E227 PolarHBondContact O-N 2.83Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-T231 VanDerWaalsContact O-CG2 3.31Å; E227-T231 WeakPolarHBondContact O-CG2 3.48Å; E227-T231 PolarHBondContact O-N 3.18Å; E227-T231 PolarHBondContact O-OG1 3.41Å |
| 228 | D | 97 | Very high | 95.5 | Very high | 102 Ų | 102 | 112.5 Ų | 112.5 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.2 | -71.6 | -19.2 | 0 | 0 | 0 | 110.8 | Q224 Q225 R230 T231 D232 | Q224-D228 WeakPolarHBondContact O-CB 3.35Å; Q224-D228 VanDerWaalsContact O-CG 3.22Å; Q224-D228 PolarHBondContact O-N 2.98Å; Q225-D228 PolarHBondContact O-N 3.36Å; D228-R230 VanDerWaalsContact C-N 3.32Å; D228-R230 PolarHBondContact O-N 2.91Å; D228-T231 WeakPolarHBondContact CA-OG1 3.45Å; D228-T231 PolarHBondContact O-N 3.48Å; D228-T231 PolarHBondContact O-OG1 2.89Å; D228-D232 WeakPolarHBondContact O-CB 3.31Å; D228-D232 PolarHBondContact O-N 2.91Å |
| 229 | N | 97.1 | Very high | 95 | Very high | 83 Ų | 83 | 105 Ų | 105 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 175.1 | -70.5 | -22.3 | 0 | 0 | 0 | 111.2 | Q225 D232 I233 | Q225-N229 VanDerWaalsContact O-CB 3.29Å; Q225-N229 WeakPolarHBondContact O-CB 3.33Å; Q225-N229 PolarHBondContact O-N 3.44Å; Q225-N229 PolarHBondContact O-ND2 3.48Å; Q225-N229 VanDerWaalsContact O-ND2 3.16Å; Q225-N229 PolarHBondContact O-OD1 3.5Å; N229-D232 PolarHBondContact O-N 2.88Å; N229-I233 VanDerWaalsContact O-CG1 3.25Å; N229-I233 WeakPolarHBondContact O-CG1 3.35Å; N229-I233 PolarHBondContact O-N 3.15Å |
| 230 | R | 96.8 | Very high | 94.3 | Very high | 180 Ų | 180 | 104.7 Ų | 104.7 | 68% | 0.679 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 178.3 | -176.9 | 178.2 | 177.8 | 162.5 | 1.2 | 111.6 | E226 E227 D228 I233 L234 | E226-R230 VanDerWaalsContact O-CB 3.3Å; E226-R230 WeakPolarHBondContact O-CB 3.45Å; E226-R230 PolarHBondContact O-N 3.33Å; E227-R230 PolarHBondContact O-N 2.95Å; D228-R230 VanDerWaalsContact C-N 3.32Å; D228-R230 PolarHBondContact O-N 2.91Å; R230-I233 PolarHBondContact O-N 3.12Å; R230-L234 HydrophobicContact CG-CD1 4.3Å; R230-L234 VanDerWaalsContact O-CG 3.29Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.39Å |
| 231 | T | 96.2 | Very high | 93.7 | Very high | 71 Ų | 71 | 106 Ų | 106 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | E227 D228 L234 N235 | E227-T231 VanDerWaalsContact O-CG2 3.31Å; E227-T231 WeakPolarHBondContact O-CG2 3.48Å; E227-T231 PolarHBondContact O-N 3.18Å; E227-T231 PolarHBondContact O-OG1 3.41Å; D228-T231 WeakPolarHBondContact CA-OG1 3.45Å; D228-T231 PolarHBondContact O-N 3.48Å; D228-T231 PolarHBondContact O-OG1 2.89Å; T231-L234 PolarHBondContact O-N 3.29Å; T231-N235 WeakPolarHBondContact O-CB 3.48Å; T231-N235 PolarHBondContact O-N 2.86Å; T231-N235 PolarHBondContact O-ND2 3.22Å |
| 232 | D | 95.7 | Very high | 93.2 | Very high | 81 Ų | 81 | 106 Ų | 106 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.3 | -175.9 | 38.9 | 0 | 0 | 0 | 111.5 | D228 N229 L234 N235 Q236 | D228-D232 WeakPolarHBondContact O-CB 3.31Å; D228-D232 PolarHBondContact O-N 2.91Å; N229-D232 PolarHBondContact O-N 2.88Å; D232-L234 VanDerWaalsContact C-N 3.33Å; D232-L234 PolarHBondContact O-N 3.41Å; D232-N235 PolarHBondContact O-N 3.1Å; D232-Q236 WeakPolarHBondContact O-CB 3.48Å; D232-Q236 VanDerWaalsContact O-CG 3.31Å; D232-Q236 WeakPolarHBondContact O-CG 3.42Å; D232-Q236 PolarHBondContact O-N 3.25Å; D232-Q236 PolarHBondContact OD1-NE2 3.46Å; D232-Q236 PolarHBondContact OD2-NE2 2.89Å |
| 233 | I | 94.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 174.6 | -69 | 164.9 | 0 | 0 | 0 | 110.9 | N229 R230 Q236 L237 | N229-I233 VanDerWaalsContact O-CG1 3.25Å; N229-I233 WeakPolarHBondContact O-CG1 3.35Å; N229-I233 PolarHBondContact O-N 3.15Å; R230-I233 PolarHBondContact O-N 3.12Å; I233-Q236 PolarHBondContact O-N 2.96Å; I233-L237 HydrophobicContact CG2-CD1 3.89Å; I233-L237 HydrophobicContact CG2-CG 4.35Å; I233-L237 WeakPolarHBondContact O-CB 3.26Å; I233-L237 VanDerWaalsContact O-CG 3.26Å; I233-L237 WeakPolarHBondContact O-CG 3.26Å; I233-L237 PolarHBondContact O-N 3.39Å |
| 234 | L | 94.5 | Very high | 91.8 | Very high | 74 Ų | 74 | 105.4 Ų | 105.4 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.3 | -72.7 | 172.8 | 0 | 0 | 0 | 111.9 | R230 T231 D232 Q236 L237 Q238 | R230-L234 HydrophobicContact CG-CD1 4.3Å; R230-L234 VanDerWaalsContact O-CG 3.29Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.39Å; T231-L234 PolarHBondContact O-N 3.29Å; D232-L234 VanDerWaalsContact C-N 3.33Å; D232-L234 PolarHBondContact O-N 3.41Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 2.76Å; L234-L237 PolarHBondContact O-N 2.94Å; L234-Q238 WeakPolarHBondContact O-CB 3.33Å; L234-Q238 WeakPolarHBondContact O-CG 3.49Å; L234-Q238 PolarHBondContact O-N 3.29Å |
| 235 | N | 92.6 | Very high | 91 | Very high | 102 Ų | 102 | 101.7 Ų | 101.7 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 177.2 | -71 | -21.2 | 0 | 0 | 0 | 111.7 | T231 D232 G239 | T231-N235 WeakPolarHBondContact O-CB 3.48Å; T231-N235 PolarHBondContact O-N 2.86Å; T231-N235 PolarHBondContact O-ND2 3.22Å; D232-N235 PolarHBondContact O-N 3.1Å; N235-G239 WeakPolarHBondContact O-CA 3.32Å; N235-G239 PolarHBondContact O-N 2.9Å |
| 236 | Q | 91.5 | Very high | 89.9 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 174.7 | -71.8 | 173.1 | 22.4 | 0 | 0 | 111.2 | D232 I233 L234 G239 L242 | D232-Q236 WeakPolarHBondContact O-CB 3.48Å; D232-Q236 VanDerWaalsContact O-CG 3.31Å; D232-Q236 WeakPolarHBondContact O-CG 3.42Å; D232-Q236 PolarHBondContact O-N 3.25Å; D232-Q236 PolarHBondContact OD1-NE2 3.46Å; D232-Q236 PolarHBondContact OD2-NE2 2.89Å; I233-Q236 PolarHBondContact O-N 2.96Å; L234-Q236 VanDerWaalsContact C-N 3.32Å; L234-Q236 PolarHBondContact O-N 2.76Å; Q236-G239 PolarHBondContact O-N 3.31Å; Q236-G239 VanDerWaalsContact O-N 3.11Å; Q236-L242 HydrophobicContact CB-CD1 4.43Å; Q236-L242 WeakPolarHBondContact O-CD1 3.26Å |
| 237 | L | 90.8 | Very high | 88.8 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.7 | -72 | 174 | 0 | 0 | 0 | 112.6 | I233 L234 L242 | I233-L237 HydrophobicContact CG2-CD1 3.89Å; I233-L237 HydrophobicContact CG2-CG 4.35Å; I233-L237 WeakPolarHBondContact O-CB 3.26Å; I233-L237 VanDerWaalsContact O-CG 3.26Å; I233-L237 WeakPolarHBondContact O-CG 3.26Å; I233-L237 PolarHBondContact O-N 3.39Å; L234-L237 PolarHBondContact O-N 2.94Å; L237-L242 HydrophobicContact CD2-CD1 4.41Å |
| 238 | Q | 88.4 | Confident | 87.6 | Confident | 147 Ų | 147 | 99.5 Ų | 99.5 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -79.9 | -12.3 | 174.6 | -66.2 | 178.3 | -0.7 | 0 | 0 | 112.5 | L234 | L234-Q238 WeakPolarHBondContact O-CB 3.33Å; L234-Q238 WeakPolarHBondContact O-CG 3.49Å; L234-Q238 PolarHBondContact O-N 3.29Å |
| 239 | G | 86.7 | Confident | 86.4 | Confident | 23 Ų | 23 | 94.9 Ų | 94.9 | 24% | 0.237 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -60.1 | 149.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N235 Q236 L241 L242 S243 | N235-G239 WeakPolarHBondContact O-CA 3.32Å; N235-G239 PolarHBondContact O-N 2.9Å; Q236-G239 PolarHBondContact O-N 3.31Å; Q236-G239 VanDerWaalsContact O-N 3.11Å; G239-L241 PolarHBondContact O-N 3.5Å; G239-L242 PolarHBondContact O-N 2.89Å; G239-S243 WeakPolarHBondContact O-CB 3.43Å; G239-S243 PolarHBondContact O-N 3.31Å; G239-S243 PolarHBondContact O-OG 3.41Å |
| 240 | E | 81.9 | Confident | 85.3 | Confident | 137 Ų | 137 | 94.6 Ų | 94.6 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -55.9 | -35.1 | -178.1 | -72.8 | 176.3 | -166.1 | 0 | 0 | 112.3 | E244 Q248 | E240-E244 PolarHBondContact O-N 3.3Å; E240-Q248 VanDerWaalsContact CA-NE2 3.32Å; E240-Q248 HydrophobicContact CB-CG 4.3Å; E240-Q248 VanDerWaalsContact CB-NE2 3.3Å; E240-Q248 HydrophobicContact CG-CG 4.45Å; E240-Q248 PolarHBondContact O-NE2 3.39Å |
| 241 | L | 83.6 | Confident | 84.4 | Confident | 147 Ų | 147 | 87.5 Ų | 87.5 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.9 | -47.2 | -179.3 | -173.4 | 66.7 | 0 | 0 | 0 | 112.9 | G239 | G239-L241 PolarHBondContact O-N 3.5Å |
| 242 | L | 87.2 | Confident | 83.3 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -86.5 | -32 | -175.8 | -64.7 | -174 | 0 | 0 | 0 | 113.2 | Q236 L237 G239 E244 | Q236-L242 HydrophobicContact CB-CD1 4.43Å; Q236-L242 WeakPolarHBondContact O-CD1 3.26Å; L237-L242 HydrophobicContact CD2-CD1 4.41Å; G239-L242 PolarHBondContact O-N 2.89Å; L242-E244 PolarHBondContact O-N 2.91Å |
| 243 | S | 83.6 | Confident | 82.5 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.7 | -13.1 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | G239 S245 | G239-S243 WeakPolarHBondContact O-CB 3.43Å; G239-S243 PolarHBondContact O-N 3.31Å; G239-S243 PolarHBondContact O-OG 3.41Å; S243-S245 PolarHBondContact O-N 3.36Å |
| 244 | E | 81.5 | Confident | 81.2 | Confident | 136 Ų | 136 | 92 Ų | 92 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | trans | 44.6 | 31.9 | -176.4 | -66.3 | -159.9 | 162.7 | 0 | 0 | 115.2 | E240 L242 Q246 K264 | E240-E244 PolarHBondContact O-N 3.3Å; L242-E244 PolarHBondContact O-N 2.91Å; E244-Q246 PolarHBondContact O-N 2.92Å; E244-K264 VanDerWaalsContact CA-NZ 3.27Å; E244-K264 HydrophobicContact CB-CD 4.48Å; E244-K264 PolarHBondContact O-NZ 3.44Å | ||
| 245 | S | 80.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 94.9 Ų | 94.9 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | trans | -51.8 | 132.1 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | S243 E247 Q248 | S243-S245 PolarHBondContact O-N 3.36Å; S245-E247 PolarHBondContact O-N 2.91Å; S245-Q248 WeakPolarHBondContact O-CG 3.38Å; S245-Q248 PolarHBondContact O-N 3.04Å; S245-Q248 PolarHBondContact O-NE2 3.36Å; S245-Q248 PolarHBondContact OG-NE2 2.92Å | ||
| 246 | Q | 74.3 | Confident | 79.1 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -73.7 | -16.5 | -175.1 | -153.1 | 147.7 | -3.9 | 0 | 0 | 112.1 | E244 Q248 G249 G265 L266 | E244-Q246 PolarHBondContact O-N 2.92Å; Q246-Q248 PolarHBondContact O-N 3.35Å; Q246-G249 PolarHBondContact O-N 3.06Å; Q246-G265 PolarHBondContact NE2-O 3.4Å; Q246-L266 PolarHBondContact NE2-O 3.38Å |
| 247 | E | 73.5 | Confident | 78.2 | Confident | 153 Ų | 153 | 100 Ų | 100 | 72% | 0.715 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -64.1 | -22.1 | 174.6 | -61.7 | -178.3 | 174.4 | 0 | 0 | 113.2 | S245 G249 I250 | S245-E247 PolarHBondContact O-N 2.91Å; E247-G249 PolarHBondContact O-N 2.9Å; E247-I250 HydrophobicContact CB-CD1 4.27Å; E247-I250 HydrophobicContact CG-CD1 4.5Å; E247-I250 WeakPolarHBondContact O-CB 3.35Å; E247-I250 WeakPolarHBondContact O-CG1 3.38Å; E247-I250 PolarHBondContact O-N 3.41Å |
| 248 | Q | 72.2 | Confident | 77.6 | Confident | 47 Ų | 47 | 99 Ų | 99 | 22% | 0.22 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -61 | -24.5 | 173 | -71 | 163.6 | 31.7 | 0 | 0 | 113.4 | E240 S245 Q246 I250 S262 | E240-Q248 VanDerWaalsContact CA-NE2 3.32Å; E240-Q248 HydrophobicContact CB-CG 4.3Å; E240-Q248 VanDerWaalsContact CB-NE2 3.3Å; E240-Q248 HydrophobicContact CG-CG 4.45Å; E240-Q248 PolarHBondContact O-NE2 3.39Å; S245-Q248 WeakPolarHBondContact O-CG 3.38Å; S245-Q248 PolarHBondContact O-N 3.04Å; S245-Q248 PolarHBondContact O-NE2 3.36Å; S245-Q248 PolarHBondContact OG-NE2 2.92Å; Q246-Q248 PolarHBondContact O-N 3.35Å; Q248-I250 PolarHBondContact O-N 3.29Å; Q248-S262 WeakPolarHBondContact O-CB 3.48Å |
| 249 | G | 70 | Confident | 77.2 | Confident | 4 Ų | 4 | 93.7 Ų | 93.7 | 4% | 0.041 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -71.3 | -16 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q246 E247 S251 L258 S259 | Q246-G249 PolarHBondContact O-N 3.06Å; E247-G249 PolarHBondContact O-N 2.9Å; G249-S251 PolarHBondContact O-N 3.02Å; G249-L258 CarbonylContact O-C 3.46Å; G249-L258 WeakPolarHBondContact O-CA 3.33Å; G249-L258 WeakPolarHBondContact O-CD2 3.48Å; G249-S259 PolarHBondContact O-N 2.99Å |
| 250 | I | 75.3 | Confident | 76.9 | Confident | 77 Ų | 77 | 98.1 Ų | 98.1 | 40% | 0.395 | 53% | 0.528 | S | S | . | . | B | Isolated β-bridge | trans | -76.6 | 121 | -175 | -55.8 | 171.8 | 0 | 0 | 0 | 108.8 | E247 Q248 | E247-I250 HydrophobicContact CB-CD1 4.27Å; E247-I250 HydrophobicContact CG-CD1 4.5Å; E247-I250 WeakPolarHBondContact O-CB 3.35Å; E247-I250 WeakPolarHBondContact O-CG1 3.38Å; E247-I250 PolarHBondContact O-N 3.41Å; Q248-I250 PolarHBondContact O-N 3.29Å |
| 251 | S | 77.4 | Confident | 76.8 | Confident | 32 Ų | 32 | 99.1 Ų | 99.1 | 22% | 0.224 | 54% | 0.537 | C | S | . | . | trans | -62.9 | 147.7 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | G249 L253 G254 R257 | G249-S251 PolarHBondContact O-N 3.02Å; S251-L253 PolarHBondContact O-N 2.93Å; S251-L253 PolarHBondContact OG-N 3.47Å; S251-G254 WeakPolarHBondContact O-CA 3.49Å; S251-G254 PolarHBondContact O-N 3.32Å; S251-R257 WeakPolarHBondContact CB-O 3.34Å; S251-R257 PolarHBondContact N-O 2.92Å | ||
| 252 | V | 74 | Confident | 76.5 | Confident | 153 Ų | 153 | 94 Ų | 94 | 93% | 0.927 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -25.4 | 172.2 | 180 | 0 | 0 | 0 | 0 | 112 | G254 | V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.25Å |
| 253 | L | 78.8 | Confident | 76.3 | Confident | 158 Ų | 158 | 94.8 Ų | 94.8 | 83% | 0.827 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.4 | 176.5 | -66.7 | 167 | 0 | 0 | 0 | 113.9 | S251 | S251-L253 PolarHBondContact O-N 2.93Å; S251-L253 PolarHBondContact OG-N 3.47Å |
| 254 | G | 67.4 | Low | 76.3 | Confident | 30 Ų | 30 | 95.7 Ų | 95.7 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | trans | 82.9 | 170.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S251 V252 R257 | S251-G254 WeakPolarHBondContact O-CA 3.49Å; S251-G254 PolarHBondContact O-N 3.32Å; V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.25Å; G254-R257 PolarHBondContact O-N 3.22Å | ||
| 255 | L | 71.2 | Confident | 76.4 | Confident | 135 Ų | 135 | 90.7 Ų | 90.7 | 71% | 0.707 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 142.3 | 171.6 | -80.6 | 132.6 | 0 | 0 | 0 | 110.2 | ||
| 256 | P | 71.4 | Confident | 76.5 | Confident | 122 Ų | 122 | 92.3 Ų | 92.3 | 79% | 0.792 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -100.3 | 7.4 | 22.4 | 37.6 | -35.7 | 0 | 0 | 0 | 115.1 | ||
| 257 | R | 72.8 | Confident | 77 | Confident | 188 Ų | 188 | 89.1 Ų | 89.1 | 71% | 0.709 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 123.5 | -174.9 | -65 | -170.9 | -167.6 | -149 | 3.7 | 111.1 | S251 G254 | S251-R257 WeakPolarHBondContact CB-O 3.34Å; S251-R257 PolarHBondContact N-O 2.92Å; G254-R257 PolarHBondContact O-N 3.22Å |
| 258 | L | 77.4 | Confident | 77.6 | Confident | 84 Ų | 84 | 87.8 Ų | 87.8 | 44% | 0.44 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -91.2 | 146.8 | 171.2 | -65.1 | 164.7 | 0 | 0 | 0 | 110.1 | G249 Y263 | G249-L258 CarbonylContact O-C 3.46Å; G249-L258 WeakPolarHBondContact O-CA 3.33Å; G249-L258 WeakPolarHBondContact O-CD2 3.48Å; L258-Y263 HydrophobicContact CD1-CD2 3.91Å; L258-Y263 HydrophobicContact CD1-CE2 3.91Å |
| 259 | S | 80.6 | Confident | 78.4 | Confident | 35 Ų | 35 | 93.5 Ų | 93.5 | 25% | 0.245 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 123.6 | 172.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | G249 N261 S262 Y263 | G249-S259 PolarHBondContact O-N 2.99Å; S259-N261 PolarHBondContact O-N 3.19Å; S259-S262 PolarHBondContact O-N 3.46Å; S259-Y263 PolarHBondContact O-N 3.31Å |
| 260 | P | 79.9 | Confident | 79.2 | Confident | 117 Ų | 117 | 98 Ų | 98 | 76% | 0.76 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -58.6 | -33.9 | -178.8 | -25.7 | 34.3 | 0 | 0 | 0 | 113.8 | S262 | P260-S262 VanDerWaalsContact C-N 3.34Š|
| 261 | N | 79.9 | Confident | 79.9 | Confident | 158 Ų | 158 | 98 Ų | 98 | 85% | 0.845 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -82.1 | -14.6 | -175.3 | -63 | -9.1 | 0 | 0 | 0 | 113.1 | S259 | S259-N261 PolarHBondContact O-N 3.19Š|
| 262 | S | 76.9 | Confident | 80.6 | Confident | 40 Ų | 40 | 101.7 Ų | 101.7 | 28% | 0.28 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -119.8 | 19.7 | -173.4 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | Q248 S259 P260 K264 | Q248-S262 WeakPolarHBondContact O-CB 3.48Å; S259-S262 PolarHBondContact O-N 3.46Å; P260-S262 VanDerWaalsContact C-N 3.34Å; S262-K264 PolarHBondContact O-N 2.87Å |
| 263 | Y | 83.5 | Confident | 81.5 | Confident | 122 Ų | 122 | 100.3 Ų | 100.3 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | trans | -77.6 | 117.5 | 178.9 | -177.3 | -104.9 | 0 | 0 | 0 | 111.2 | L258 S259 G265 | L258-Y263 HydrophobicContact CD1-CD2 3.91Å; L258-Y263 HydrophobicContact CD1-CE2 3.91Å; S259-Y263 PolarHBondContact O-N 3.31Å; Y263-G265 WeakPolarHBondContact CE2-O 3.49Å | ||
| 264 | K | 83.1 | Confident | 82.2 | Confident | 80 Ų | 80 | 96.1 Ų | 96.1 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | trans | -114.9 | 28.6 | -177 | -59.1 | -177.2 | -170.4 | 172.7 | 0 | 113.5 | E244 S262 | E244-K264 VanDerWaalsContact CA-NZ 3.27Å; E244-K264 HydrophobicContact CB-CD 4.48Å; E244-K264 PolarHBondContact O-NZ 3.44Å; S262-K264 PolarHBondContact O-N 2.87Å | ||
| 265 | G | 84.3 | Confident | 83.4 | Confident | 31 Ų | 31 | 98.2 Ų | 98.2 | 32% | 0.32 | 51% | 0.51 | S | S | . | . | trans | 90.8 | -173.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q246 Y263 | Q246-G265 PolarHBondContact NE2-O 3.4Å; Y263-G265 WeakPolarHBondContact CE2-O 3.49Å | ||
| 266 | L | 83 | Confident | 84.6 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 38% | 0.382 | 50% | 0.495 | S | S | . | . | trans | -80.1 | 148.9 | -179 | -67.1 | 169.7 | 0 | 0 | 0 | 110.8 | Q246 L271 I274 | Q246-L266 PolarHBondContact NE2-O 3.38Å; L266-L271 HydrophobicContact CB-CD2 4.08Å; L266-L271 HydrophobicContact CB-CG 3.99Å; L266-L271 HydrophobicContact CD1-CD2 3.88Å; L266-I274 HydrophobicContact CD1-CD1 3.99Å | ||
| 267 | A | 84.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 91.3 Ų | 91.3 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | trans | -71.5 | 152 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E269 Q270 L271 | A267-E269 PolarHBondContact O-N 2.96Å; A267-Q270 HydrophobicContact CB-CG 4.25Å; A267-Q270 WeakPolarHBondContact O-CA 3.4Å; A267-Q270 WeakPolarHBondContact O-CB 3.25Å; A267-Q270 PolarHBondContact O-N 3.37Å; A267-L271 PolarHBondContact O-N 2.95Å | ||
| 268 | D | 86.4 | Confident | 86.7 | Confident | 125 Ų | 125 | 87.3 Ų | 87.3 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -56.7 | -38.2 | 179.1 | -73.1 | -16.4 | 0 | 0 | 0 | 112.1 | Q270 L271 Q272 | D268-Q270 VanDerWaalsContact C-N 3.31Å; D268-Q270 PolarHBondContact O-N 2.85Å; D268-L271 PolarHBondContact O-N 3.21Å; D268-Q272 WeakPolarHBondContact O-CB 3.48Å; D268-Q272 WeakPolarHBondContact O-CG 3.42Å; D268-Q272 PolarHBondContact O-N 2.95Å |
| 269 | E | 87.8 | Confident | 87.5 | Confident | 167 Ų | 167 | 88.3 Ų | 88.3 | 78% | 0.78 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.1 | -39 | 175.6 | -62 | -177.1 | 173.4 | 0 | 0 | 112.5 | A267 H273 | A267-E269 PolarHBondContact O-N 2.96Å; E269-H273 WeakPolarHBondContact O-CB 3.42Å; E269-H273 PolarHBondContact O-N 2.84Å |
| 270 | Q | 86.5 | Confident | 88.1 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.9 | -39.7 | 177.8 | -64.3 | 176.6 | -31.9 | 0 | 0 | 111.1 | A267 D268 H273 I274 | A267-Q270 HydrophobicContact CB-CG 4.25Å; A267-Q270 WeakPolarHBondContact O-CA 3.4Å; A267-Q270 WeakPolarHBondContact O-CB 3.25Å; A267-Q270 PolarHBondContact O-N 3.37Å; D268-Q270 VanDerWaalsContact C-N 3.31Å; D268-Q270 PolarHBondContact O-N 2.85Å; Q270-H273 PolarHBondContact O-N 2.84Å; Q270-I274 WeakPolarHBondContact O-CG1 3.48Å; Q270-I274 PolarHBondContact O-N 3.15Å |
| 271 | L | 90.6 | Very high | 88.8 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 39% | 0.393 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 174.2 | -70.7 | 171.4 | 0 | 0 | 0 | 111.2 | L266 A267 D268 H273 I274 I275 | L266-L271 HydrophobicContact CB-CD2 4.08Å; L266-L271 HydrophobicContact CB-CG 3.99Å; L266-L271 HydrophobicContact CD1-CD2 3.88Å; A267-L271 PolarHBondContact O-N 2.95Å; D268-L271 PolarHBondContact O-N 3.21Å; L271-H273 VanDerWaalsContact C-N 3.32Å; L271-H273 PolarHBondContact O-N 2.89Å; L271-I274 PolarHBondContact O-N 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.45Å; L271-I275 PolarHBondContact O-N 3.15Å |
| 272 | Q | 91.9 | Very high | 89.4 | Confident | 111 Ų | 111 | 89.9 Ų | 89.9 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.9 | -71.8 | -69 | -18.1 | 0 | 0 | 111.4 | D268 I274 I275 N276 | D268-Q272 WeakPolarHBondContact O-CB 3.48Å; D268-Q272 WeakPolarHBondContact O-CG 3.42Å; D268-Q272 PolarHBondContact O-N 2.95Å; Q272-I274 PolarHBondContact O-N 3.09Å; Q272-I275 PolarHBondContact O-N 3.29Å; Q272-N276 WeakPolarHBondContact O-CB 3.27Å; Q272-N276 PolarHBondContact O-N 3.15Å; Q272-N276 PolarHBondContact O-ND2 2.93Å |
| 273 | H | 93.2 | Very high | 90.2 | Very high | 123 Ų | 123 | 91.6 Ų | 91.6 | 57% | 0.569 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.3 | -45.1 | 174.8 | -178.8 | -79.4 | 0 | 0 | 0 | 112.1 | E269 Q270 L271 I275 N276 C277 | E269-H273 WeakPolarHBondContact O-CB 3.42Å; E269-H273 PolarHBondContact O-N 2.84Å; Q270-H273 PolarHBondContact O-N 2.84Å; L271-H273 VanDerWaalsContact C-N 3.32Å; L271-H273 PolarHBondContact O-N 2.89Å; H273-I275 PolarHBondContact O-N 3Å; H273-N276 PolarHBondContact O-N 3.36Å; H273-C277 PolarHBondContact CE1-SG 3.47Å; H273-C277 PolarHBondContact O-N 2.97Å; H273-C277 PolarHBondContact O-SG 3.21Å; H273-C277 VanDerWaalsContact O-SG 3.4Å |
| 274 | I | 92.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177 | -68.6 | 164.8 | 0 | 0 | 0 | 111 | L266 Q270 L271 Q272 N276 C277 Q278 | L266-I274 HydrophobicContact CD1-CD1 3.99Å; Q270-I274 WeakPolarHBondContact O-CG1 3.48Å; Q270-I274 PolarHBondContact O-N 3.15Å; L271-I274 PolarHBondContact O-N 3.28Å; Q272-I274 PolarHBondContact O-N 3.09Å; I274-N276 VanDerWaalsContact C-N 3.31Å; I274-N276 PolarHBondContact O-N 2.91Å; I274-C277 PolarHBondContact O-N 2.65Å; I274-Q278 HydrophobicContact CG2-CG 4.42Å; I274-Q278 WeakPolarHBondContact O-CG 3.25Å; I274-Q278 PolarHBondContact O-N 3.43Å |
| 275 | I | 94.1 | Very high | 91.1 | Very high | 73 Ų | 73 | 94.3 Ų | 94.3 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 177.6 | -68.3 | 166.6 | 0 | 0 | 0 | 110.2 | L271 Q272 H273 Q278 Q279 | L271-I275 WeakPolarHBondContact O-CG1 3.45Å; L271-I275 PolarHBondContact O-N 3.15Å; Q272-I275 PolarHBondContact O-N 3.29Å; H273-I275 PolarHBondContact O-N 3Å; I275-Q278 PolarHBondContact O-N 2.85Å; I275-Q279 WeakPolarHBondContact O-CG 3.41Å; I275-Q279 PolarHBondContact O-N 3.18Å |
| 276 | N | 95.4 | Very high | 91.5 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.9 | -68.4 | -20.2 | 0 | 0 | 0 | 111.9 | Q272 H273 I274 Q278 Q279 Q280 | Q272-N276 WeakPolarHBondContact O-CB 3.27Å; Q272-N276 PolarHBondContact O-N 3.15Å; Q272-N276 PolarHBondContact O-ND2 2.93Å; H273-N276 PolarHBondContact O-N 3.36Å; I274-N276 VanDerWaalsContact C-N 3.31Å; I274-N276 PolarHBondContact O-N 2.91Å; N276-Q278 VanDerWaalsContact C-N 3.33Å; N276-Q278 PolarHBondContact O-N 3.43Å; N276-Q279 PolarHBondContact O-N 2.92Å; N276-Q280 WeakPolarHBondContact O-CG 3.39Å; N276-Q280 PolarHBondContact O-N 3.48Å |
| 277 | C | 94.3 | Very high | 92 | Very high | 39 Ų | 39 | 105.2 Ų | 105.2 | 26% | 0.264 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.5 | -73.2 | 0 | 0 | 0 | 0 | 112 | H273 I274 Q279 Q280 Q281 | H273-C277 PolarHBondContact CE1-SG 3.47Å; H273-C277 PolarHBondContact O-N 2.97Å; H273-C277 PolarHBondContact O-SG 3.21Å; H273-C277 VanDerWaalsContact O-SG 3.4Å; I274-C277 PolarHBondContact O-N 2.65Å; C277-Q279 VanDerWaalsContact C-N 3.35Å; C277-Q280 PolarHBondContact O-N 3.4Å; C277-Q281 WeakPolarHBondContact O-CG 3.34Å; C277-Q281 PolarHBondContact O-N 2.95Å |
| 278 | Q | 93.4 | Very high | 92.3 | Very high | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 176.8 | -72.6 | 175.4 | 1 | 0 | 0 | 111.9 | I274 I275 N276 Q281 I282 | I274-Q278 HydrophobicContact CG2-CG 4.42Å; I274-Q278 WeakPolarHBondContact O-CG 3.25Å; I274-Q278 PolarHBondContact O-N 3.43Å; I275-Q278 PolarHBondContact O-N 2.85Å; N276-Q278 VanDerWaalsContact C-N 3.33Å; N276-Q278 PolarHBondContact O-N 3.43Å; Q278-Q281 PolarHBondContact O-N 2.89Å; Q278-I282 VanDerWaalsContact O-CG1 3.32Å; Q278-I282 WeakPolarHBondContact O-CG1 3.44Å; Q278-I282 PolarHBondContact O-N 3.39Å |
| 279 | Q | 94.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.2 | -72.8 | 177.1 | 1.4 | 0 | 0 | 111.5 | I275 N276 C277 Q281 I282 D283 | I275-Q279 WeakPolarHBondContact O-CG 3.41Å; I275-Q279 PolarHBondContact O-N 3.18Å; N276-Q279 PolarHBondContact O-N 2.92Å; C277-Q279 VanDerWaalsContact C-N 3.35Å; Q279-Q281 VanDerWaalsContact C-N 3.32Å; Q279-Q281 PolarHBondContact O-N 3.48Å; Q279-I282 PolarHBondContact O-N 3.47Å; Q279-D283 PolarHBondContact O-N 3.32Å |
| 280 | Q | 93.9 | Very high | 92.8 | Very high | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 175.4 | -71.2 | 173.7 | -1.4 | 0 | 0 | 111.9 | N276 C277 I282 D283 E284 | N276-Q280 WeakPolarHBondContact O-CG 3.39Å; N276-Q280 PolarHBondContact O-N 3.48Å; C277-Q280 PolarHBondContact O-N 3.4Å; Q280-I282 PolarHBondContact O-N 2.98Å; Q280-D283 PolarHBondContact O-N 2.88Å; Q280-E284 WeakPolarHBondContact O-CB 3.45Å; Q280-E284 PolarHBondContact O-N 3.26Å |
| 281 | Q | 93.8 | Very high | 93 | Very high | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 176.3 | -73.6 | 174.6 | -4.3 | 0 | 0 | 112.7 | C277 Q278 Q279 K285 | C277-Q281 WeakPolarHBondContact O-CG 3.34Å; C277-Q281 PolarHBondContact O-N 2.95Å; Q278-Q281 PolarHBondContact O-N 2.89Å; Q279-Q281 VanDerWaalsContact C-N 3.32Å; Q279-Q281 PolarHBondContact O-N 3.48Å; Q281-K285 VanDerWaalsContact O-CB 3.3Å; Q281-K285 WeakPolarHBondContact O-CB 3.37Å; Q281-K285 PolarHBondContact O-N 2.91Å |
| 282 | I | 93.8 | Very high | 93 | Very high | 87 Ų | 87 | 102.5 Ų | 102.5 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 176.3 | -70.2 | 164.9 | 0 | 0 | 0 | 110.1 | Q278 Q279 Q280 K285 R286 | Q278-I282 VanDerWaalsContact O-CG1 3.32Å; Q278-I282 WeakPolarHBondContact O-CG1 3.44Å; Q278-I282 PolarHBondContact O-N 3.39Å; Q279-I282 PolarHBondContact O-N 3.47Å; Q280-I282 PolarHBondContact O-N 2.98Å; I282-K285 PolarHBondContact O-N 2.87Å; I282-R286 WeakPolarHBondContact O-CG 3.24Å; I282-R286 PolarHBondContact O-N 3.32Å |
| 283 | D | 93.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 103.2 Ų | 103.2 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | -178.8 | -72.2 | -21.2 | 0 | 0 | 0 | 112.3 | Q279 Q280 R286 R287 | Q279-D283 PolarHBondContact O-N 3.32Å; Q280-D283 PolarHBondContact O-N 2.88Å; D283-R286 WeakPolarHBondContact O-CB 3.43Å; D283-R286 PolarHBondContact O-N 3.37Å; D283-R286 IonicContact OD1-NH1 3.8Å; D283-R286 PolarHBondContact OD1-NH1 3.01Å; D283-R287 WeakPolarHBondContact O-CG 3.47Å; D283-R287 PolarHBondContact O-N 3.42Å |
| 284 | E | 92.4 | Very high | 92.6 | Very high | 122 Ų | 122 | 103.1 Ų | 103.1 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 173.5 | -171.5 | 171.1 | -158.6 | 0 | 0 | 111.4 | Q280 R286 R287 I288 | Q280-E284 WeakPolarHBondContact O-CB 3.45Å; Q280-E284 PolarHBondContact O-N 3.26Å; E284-R286 VanDerWaalsContact C-N 3.31Å; E284-R286 PolarHBondContact O-N 2.81Å; E284-R287 WeakPolarHBondContact O-CB 3.5Å; E284-R287 PolarHBondContact O-N 2.91Å; E284-R287 VanDerWaalsContact O-N 3.12Å; E284-I288 HydrophobicContact CG-CD1 4.24Å; E284-I288 WeakPolarHBondContact O-CG1 3.46Å; E284-I288 PolarHBondContact O-N 3.12Å |
| 285 | K | 93.6 | Very high | 92.5 | Very high | 137 Ų | 137 | 105.2 Ų | 105.2 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -38.6 | 175.4 | -173.3 | 173.6 | -177.9 | 178.3 | 0 | 112.2 | Q281 I282 Q289 | Q281-K285 VanDerWaalsContact O-CB 3.3Å; Q281-K285 WeakPolarHBondContact O-CB 3.37Å; Q281-K285 PolarHBondContact O-N 2.91Å; I282-K285 PolarHBondContact O-N 2.87Å; K285-Q289 WeakPolarHBondContact O-CG 3.46Å; K285-Q289 PolarHBondContact O-N 2.96Å |
| 286 | R | 92.8 | Very high | 92.3 | Very high | 153 Ų | 153 | 107.5 Ų | 107.5 | 58% | 0.577 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 173.3 | -75.6 | 172.5 | 179.3 | 161.5 | -4.5 | 111.9 | I282 D283 E284 Q289 A290 | I282-R286 WeakPolarHBondContact O-CG 3.24Å; I282-R286 PolarHBondContact O-N 3.32Å; D283-R286 WeakPolarHBondContact O-CB 3.43Å; D283-R286 PolarHBondContact O-N 3.37Å; D283-R286 IonicContact OD1-NH1 3.8Å; D283-R286 PolarHBondContact OD1-NH1 3.01Å; E284-R286 VanDerWaalsContact C-N 3.31Å; E284-R286 PolarHBondContact O-N 2.81Å; R286-Q289 PolarHBondContact O-N 3.36Å; R286-A290 PolarHBondContact O-N 3.44Å |
| 287 | R | 92.3 | Very high | 92.1 | Very high | 180 Ų | 180 | 109 Ų | 109 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -49 | 176.2 | -72.1 | 176.7 | -174.6 | -169.3 | 2.6 | 111.4 | D283 E284 Q289 A290 E291 | D283-R287 WeakPolarHBondContact O-CG 3.47Å; D283-R287 PolarHBondContact O-N 3.42Å; E284-R287 WeakPolarHBondContact O-CB 3.5Å; E284-R287 PolarHBondContact O-N 2.91Å; E284-R287 VanDerWaalsContact O-N 3.12Å; R287-Q289 VanDerWaalsContact C-N 3.31Å; R287-Q289 PolarHBondContact O-N 3.03Å; R287-A290 PolarHBondContact O-N 3.48Å; R287-A290 VanDerWaalsContact O-N 3.11Å; R287-E291 PolarHBondContact O-N 3.33Å |
| 288 | I | 92 | Very high | 91.9 | Very high | 77 Ų | 77 | 113 Ų | 113 | 40% | 0.395 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 178 | -65.8 | 166.5 | 0 | 0 | 0 | 110.8 | E284 A290 E291 Q292 | E284-I288 HydrophobicContact CG-CD1 4.24Å; E284-I288 WeakPolarHBondContact O-CG1 3.46Å; E284-I288 PolarHBondContact O-N 3.12Å; I288-A290 VanDerWaalsContact C-N 3.35Å; I288-A290 PolarHBondContact O-N 2.99Å; I288-E291 PolarHBondContact O-N 3.02Å; I288-Q292 HydrophobicContact CG2-CG 4.44Å; I288-Q292 WeakPolarHBondContact O-CB 3.25Å; I288-Q292 VanDerWaalsContact O-CG 3.31Å; I288-Q292 WeakPolarHBondContact O-CG 3.23Å; I288-Q292 PolarHBondContact O-N 2.93Å |
| 289 | Q | 92.5 | Very high | 91.7 | Very high | 97 Ų | 97 | 113 Ų | 113 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.4 | -75.9 | -179.7 | -16.1 | 0 | 0 | 112.6 | K285 R286 R287 Q292 Q293 | K285-Q289 WeakPolarHBondContact O-CG 3.46Å; K285-Q289 PolarHBondContact O-N 2.96Å; R286-Q289 PolarHBondContact O-N 3.36Å; R287-Q289 VanDerWaalsContact C-N 3.31Å; R287-Q289 PolarHBondContact O-N 3.03Å; Q289-Q292 PolarHBondContact O-N 3.37Å; Q289-Q293 WeakPolarHBondContact O-CG 3.34Å; Q289-Q293 PolarHBondContact O-N 3.38Å |
| 290 | A | 91.1 | Very high | 91.4 | Very high | 46 Ų | 46 | 111.8 Ų | 111.8 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R286 R287 I288 Q293 Q294 | R286-A290 PolarHBondContact O-N 3.44Å; R287-A290 PolarHBondContact O-N 3.48Å; R287-A290 VanDerWaalsContact O-N 3.11Å; I288-A290 VanDerWaalsContact C-N 3.35Å; I288-A290 PolarHBondContact O-N 2.99Å; A290-Q293 PolarHBondContact O-N 2.95Å; A290-Q294 WeakPolarHBondContact O-CG 3.45Å; A290-Q294 PolarHBondContact O-N 3.23Å |
| 291 | E | 91.1 | Very high | 91.3 | Very high | 117 Ų | 117 | 114.7 Ų | 114.7 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.9 | -73.9 | 175.8 | -178.8 | 0 | 0 | 111.3 | R287 I288 Q293 Q294 E295 | R287-E291 PolarHBondContact O-N 3.33Å; I288-E291 PolarHBondContact O-N 3.02Å; E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-Q293 PolarHBondContact O-N 3.33Å; E291-Q294 WeakPolarHBondContact O-CA 3.39Å; E291-Q294 WeakPolarHBondContact O-CB 3.4Å; E291-Q294 PolarHBondContact O-N 2.88Å; E291-E295 PolarHBondContact O-N 3.41Å |
| 292 | Q | 90.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 115.9 Ų | 115.9 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.1 | -75 | 175.3 | -4.6 | 0 | 0 | 112.1 | I288 Q289 Q294 E295 E296 | I288-Q292 HydrophobicContact CG2-CG 4.44Å; I288-Q292 WeakPolarHBondContact O-CB 3.25Å; I288-Q292 VanDerWaalsContact O-CG 3.31Å; I288-Q292 WeakPolarHBondContact O-CG 3.23Å; I288-Q292 PolarHBondContact O-N 2.93Å; Q289-Q292 PolarHBondContact O-N 3.37Å; Q292-Q294 VanDerWaalsContact C-N 3.31Å; Q292-Q294 PolarHBondContact O-N 3.41Å; Q292-E295 PolarHBondContact O-N 3.22Å; Q292-E296 WeakPolarHBondContact O-CG 3.47Å; Q292-E296 PolarHBondContact O-N 3.43Å |
| 293 | Q | 90.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 119.1 Ų | 119.1 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 175.1 | -74.8 | -179.7 | 3 | 0 | 0 | 112.2 | Q289 A290 E291 L297 | Q289-Q293 WeakPolarHBondContact O-CG 3.34Å; Q289-Q293 PolarHBondContact O-N 3.38Å; A290-Q293 PolarHBondContact O-N 2.95Å; E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-Q293 PolarHBondContact O-N 3.33Å; Q293-L297 WeakPolarHBondContact O-CB 3.23Å; Q293-L297 VanDerWaalsContact O-CG 3.24Å; Q293-L297 WeakPolarHBondContact O-CG 3.43Å; Q293-L297 PolarHBondContact O-N 3.2Å |
| 294 | Q | 88.5 | Confident | 90.9 | Very high | 121 Ų | 121 | 120.5 Ų | 120.5 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.4 | -42 | 175.4 | -72.3 | -174.8 | 12.6 | 0 | 0 | 112.1 | A290 E291 Q292 L297 Q298 | A290-Q294 WeakPolarHBondContact O-CG 3.45Å; A290-Q294 PolarHBondContact O-N 3.23Å; E291-Q294 WeakPolarHBondContact O-CA 3.39Å; E291-Q294 WeakPolarHBondContact O-CB 3.4Å; E291-Q294 PolarHBondContact O-N 2.88Å; Q292-Q294 VanDerWaalsContact C-N 3.31Å; Q292-Q294 PolarHBondContact O-N 3.41Å; Q294-L297 PolarHBondContact O-N 3.09Å; Q294-Q298 VanDerWaalsContact O-CG 3.32Å; Q294-Q298 WeakPolarHBondContact O-CG 3.42Å; Q294-Q298 PolarHBondContact O-N 3.06Å |
| 295 | E | 89.2 | Confident | 90.8 | Very high | 115 Ų | 115 | 117.2 Ų | 117.2 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.8 | -71.7 | -173.7 | 167.9 | 0 | 0 | 111.7 | E291 Q292 L297 Q298 Q299 | E291-E295 PolarHBondContact O-N 3.41Å; Q292-E295 PolarHBondContact O-N 3.22Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.44Å; E295-Q298 WeakPolarHBondContact O-CB 3.34Å; E295-Q298 PolarHBondContact O-N 3Å; E295-Q298 VanDerWaalsContact O-N 3.15Å; E295-Q299 WeakPolarHBondContact O-CG 3.29Å; E295-Q299 PolarHBondContact O-N 2.95Å |
| 296 | E | 90.2 | Very high | 90.7 | Very high | 120 Ų | 120 | 113.5 Ų | 113.5 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.8 | -46.8 | 174.6 | -77.1 | -176.7 | 168.5 | 0 | 0 | 111.3 | Q292 Q298 Q299 D300 | Q292-E296 WeakPolarHBondContact O-CG 3.47Å; Q292-E296 PolarHBondContact O-N 3.43Å; E296-Q298 VanDerWaalsContact C-N 3.3Å; E296-Q298 PolarHBondContact O-N 2.94Å; E296-Q299 PolarHBondContact O-N 3.07Å; E296-D300 WeakPolarHBondContact O-CB 3.49Å; E296-D300 PolarHBondContact O-N 3.21Å |
| 297 | L | 91.4 | Very high | 90.6 | Very high | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -38 | 175.8 | -73.4 | 171.3 | 0 | 0 | 0 | 112.6 | Q293 Q294 E295 R301 | Q293-L297 WeakPolarHBondContact O-CB 3.23Å; Q293-L297 VanDerWaalsContact O-CG 3.24Å; Q293-L297 WeakPolarHBondContact O-CG 3.43Å; Q293-L297 PolarHBondContact O-N 3.2Å; Q294-L297 PolarHBondContact O-N 3.09Å; E295-L297 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.44Å; L297-R301 WeakPolarHBondContact O-CB 3.33Å; L297-R301 VanDerWaalsContact O-CG 3.27Å; L297-R301 WeakPolarHBondContact O-CG 3.41Å; L297-R301 PolarHBondContact O-N 2.9Å |
| 298 | Q | 89.6 | Confident | 90.5 | Very high | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.1 | -43.6 | 175.8 | -73.2 | 179.9 | 22.3 | 0 | 0 | 111.6 | Q294 E295 E296 D300 R301 F302 | Q294-Q298 VanDerWaalsContact O-CG 3.32Å; Q294-Q298 WeakPolarHBondContact O-CG 3.42Å; Q294-Q298 PolarHBondContact O-N 3.06Å; E295-Q298 WeakPolarHBondContact O-CB 3.34Å; E295-Q298 PolarHBondContact O-N 3Å; E295-Q298 VanDerWaalsContact O-N 3.15Å; E296-Q298 VanDerWaalsContact C-N 3.3Å; E296-Q298 PolarHBondContact O-N 2.94Å; Q298-D300 VanDerWaalsContact C-N 3.34Å; Q298-D300 PolarHBondContact O-N 3.26Å; Q298-R301 PolarHBondContact O-N 3.32Å; Q298-F302 WeakPolarHBondContact O-CB 3.34Å; Q298-F302 PolarHBondContact O-N 3.29Å |
| 299 | Q | 89 | Confident | 90.5 | Very high | 102 Ų | 102 | 108.9 Ų | 108.9 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.6 | -71.7 | -177.6 | 21.9 | 0 | 0 | 111 | E295 E296 F302 R303 | E295-Q299 WeakPolarHBondContact O-CG 3.29Å; E295-Q299 PolarHBondContact O-N 2.95Å; E296-Q299 PolarHBondContact O-N 3.07Å; Q299-F302 WeakPolarHBondContact O-CB 3.43Å; Q299-F302 PolarHBondContact O-N 3.5Å; Q299-R303 VanDerWaalsContact O-CG 3.28Å; Q299-R303 WeakPolarHBondContact O-CG 3.48Å; Q299-R303 PolarHBondContact O-N 2.95Å |
| 300 | D | 89.8 | Confident | 90.4 | Very high | 81 Ų | 81 | 106.9 Ų | 106.9 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.9 | -79.9 | -14.4 | 0 | 0 | 0 | 111.9 | E296 Q298 F302 R303 V304 | E296-D300 WeakPolarHBondContact O-CB 3.49Å; E296-D300 PolarHBondContact O-N 3.21Å; Q298-D300 VanDerWaalsContact C-N 3.34Å; Q298-D300 PolarHBondContact O-N 3.26Å; D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 PolarHBondContact O-N 3.49Å; D300-R303 PolarHBondContact O-N 2.98Å; D300-R303 IonicContact OD1-NH1 3.15Å; D300-V304 WeakPolarHBondContact O-CG2 3.39Å; D300-V304 PolarHBondContact O-N 2.91Å |
| 301 | R | 90.3 | Very high | 90.4 | Very high | 190 Ų | 190 | 109.2 Ų | 109.2 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 172.1 | -76.3 | 174.5 | -179.8 | -176.5 | 2.6 | 111.7 | L297 Q298 V304 A305 | L297-R301 WeakPolarHBondContact O-CB 3.33Å; L297-R301 VanDerWaalsContact O-CG 3.27Å; L297-R301 WeakPolarHBondContact O-CG 3.41Å; L297-R301 PolarHBondContact O-N 2.9Å; Q298-R301 PolarHBondContact O-N 3.32Å; R301-V304 PolarHBondContact O-N 3.16Å; R301-A305 WeakPolarHBondContact O-CB 3.3Å; R301-A305 PolarHBondContact O-N 3.05Å |
| 302 | F | 90.6 | Very high | 90.4 | Very high | 153 Ų | 153 | 108.3 Ų | 108.3 | 67% | 0.671 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 177.1 | -176.3 | -96.4 | 0 | 0 | 0 | 111.7 | Q298 Q299 D300 V304 A305 S306 | Q298-F302 WeakPolarHBondContact O-CB 3.34Å; Q298-F302 PolarHBondContact O-N 3.29Å; Q299-F302 WeakPolarHBondContact O-CB 3.43Å; Q299-F302 PolarHBondContact O-N 3.5Å; D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 PolarHBondContact O-N 3.49Å; F302-V304 PolarHBondContact O-N 2.92Å; F302-A305 PolarHBondContact O-N 2.91Å; F302-S306 VanDerWaalsContact O-CB 3.27Å; F302-S306 WeakPolarHBondContact O-CB 3.18Å; F302-S306 PolarHBondContact O-N 3.45Å |
| 303 | R | 89.5 | Confident | 90.5 | Very high | 155 Ų | 155 | 109.6 Ų | 109.6 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.8 | -47.4 | 175.1 | -73.1 | 172.4 | -172.1 | -174.3 | 4.2 | 111.4 | Q299 D300 S306 A307 | Q299-R303 VanDerWaalsContact O-CG 3.28Å; Q299-R303 WeakPolarHBondContact O-CG 3.48Å; Q299-R303 PolarHBondContact O-N 2.95Å; D300-R303 PolarHBondContact O-N 2.98Å; D300-R303 IonicContact OD1-NH1 3.15Å; R303-S306 PolarHBondContact O-N 3.36Å; R303-A307 WeakPolarHBondContact O-CB 3.44Å; R303-A307 PolarHBondContact O-N 3.39Å |
| 304 | V | 92.4 | Very high | 90.5 | Very high | 104 Ų | 104 | 110 Ų | 110 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | D300 R301 F302 A307 R308 | D300-V304 WeakPolarHBondContact O-CG2 3.39Å; D300-V304 PolarHBondContact O-N 2.91Å; R301-V304 PolarHBondContact O-N 3.16Å; F302-V304 PolarHBondContact O-N 2.92Å; V304-A307 PolarHBondContact O-N 3.34Å; V304-R308 WeakPolarHBondContact O-CB 3.21Å; V304-R308 PolarHBondContact O-N 3.49Å |
| 305 | A | 91.3 | Very high | 90.6 | Very high | 53 Ų | 53 | 112.1 Ų | 112.1 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R301 F302 R308 T309 | R301-A305 WeakPolarHBondContact O-CB 3.3Å; R301-A305 PolarHBondContact O-N 3.05Å; F302-A305 PolarHBondContact O-N 2.91Å; A305-R308 WeakPolarHBondContact O-CB 3.46Å; A305-R308 PolarHBondContact O-N 2.9Å; A305-T309 WeakPolarHBondContact O-CG2 3.5Å; A305-T309 PolarHBondContact O-N 3Å; A305-T309 PolarHBondContact O-OG1 3.44Å |
| 306 | S | 90.5 | Very high | 90.6 | Very high | 60 Ų | 60 | 112.1 Ų | 112.1 | 42% | 0.42 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.9 | -44.2 | 176 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | F302 R303 R308 T309 A310 | F302-S306 VanDerWaalsContact O-CB 3.27Å; F302-S306 WeakPolarHBondContact O-CB 3.18Å; F302-S306 PolarHBondContact O-N 3.45Å; R303-S306 PolarHBondContact O-N 3.36Å; S306-R308 VanDerWaalsContact C-N 3.29Å; S306-R308 PolarHBondContact O-N 3.24Å; S306-T309 WeakPolarHBondContact CA-OG1 3.11Å; S306-T309 PolarHBondContact O-N 3.48Å; S306-T309 PolarHBondContact O-OG1 2.88Å; S306-A310 WeakPolarHBondContact O-CB 3.38Å; S306-A310 PolarHBondContact O-N 3.39Å |
| 307 | A | 91.1 | Very high | 90.6 | Very high | 54 Ų | 54 | 111.4 Ų | 111.4 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R303 V304 L311 | R303-A307 WeakPolarHBondContact O-CB 3.44Å; R303-A307 PolarHBondContact O-N 3.39Å; V304-A307 PolarHBondContact O-N 3.34Å; A307-L311 WeakPolarHBondContact O-CG 3.43Å; A307-L311 PolarHBondContact O-N 2.73Å |
| 308 | R | 90.8 | Very high | 90.5 | Very high | 184 Ų | 184 | 109.1 Ų | 109.1 | 69% | 0.694 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 176.2 | -176 | 178.9 | 178.7 | -176.7 | -0.3 | 112.3 | V304 A305 S306 L311 L312 | V304-R308 WeakPolarHBondContact O-CB 3.21Å; V304-R308 PolarHBondContact O-N 3.49Å; A305-R308 WeakPolarHBondContact O-CB 3.46Å; A305-R308 PolarHBondContact O-N 2.9Å; S306-R308 VanDerWaalsContact C-N 3.29Å; S306-R308 PolarHBondContact O-N 3.24Å; R308-L311 PolarHBondContact O-N 2.92Å; R308-L312 WeakPolarHBondContact O-CG 3.32Å; R308-L312 PolarHBondContact O-N 3.07Å; R308-L312 VanDerWaalsContact O-N 3.1Å |
| 309 | T | 90.8 | Very high | 90.5 | Very high | 75 Ų | 75 | 111.6 Ų | 111.6 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | A305 S306 L311 L312 M313 | A305-T309 WeakPolarHBondContact O-CG2 3.5Å; A305-T309 PolarHBondContact O-N 3Å; A305-T309 PolarHBondContact O-OG1 3.44Å; S306-T309 WeakPolarHBondContact CA-OG1 3.11Å; S306-T309 PolarHBondContact O-N 3.48Å; S306-T309 PolarHBondContact O-OG1 2.88Å; T309-L311 PolarHBondContact O-N 3.12Å; T309-L312 PolarHBondContact O-N 3.31Å; T309-L312 VanDerWaalsContact O-N 3.15Å; T309-M313 WeakPolarHBondContact O-CG 3.25Å; T309-M313 PolarHBondContact O-N 2.95Å |
| 310 | A | 90.9 | Very high | 90.6 | Very high | 54 Ų | 54 | 110.2 Ų | 110.2 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S306 L312 M313 E314 | S306-A310 WeakPolarHBondContact O-CB 3.38Å; S306-A310 PolarHBondContact O-N 3.39Å; A310-L312 VanDerWaalsContact C-N 3.33Å; A310-L312 PolarHBondContact O-N 2.88Å; A310-M313 PolarHBondContact O-N 2.91Å; A310-E314 PolarHBondContact O-N 2.89Å |
| 311 | L | 91.3 | Very high | 90.5 | Very high | 96 Ų | 96 | 109.5 Ų | 109.5 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 175.1 | -77.4 | 170.7 | 0 | 0 | 0 | 113.1 | A307 R308 T309 R315 | A307-L311 WeakPolarHBondContact O-CG 3.43Å; A307-L311 PolarHBondContact O-N 2.73Å; R308-L311 PolarHBondContact O-N 2.92Å; T309-L311 PolarHBondContact O-N 3.12Å; L311-R315 WeakPolarHBondContact O-CG 3.46Å; L311-R315 PolarHBondContact O-N 3.23Å |
| 312 | L | 92.1 | Very high | 90.5 | Very high | 97 Ų | 97 | 106.5 Ų | 106.5 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 176 | -72.3 | 174.4 | 0 | 0 | 0 | 111.7 | R308 T309 A310 R315 Q316 | R308-L312 WeakPolarHBondContact O-CG 3.32Å; R308-L312 PolarHBondContact O-N 3.07Å; R308-L312 VanDerWaalsContact O-N 3.1Å; T309-L312 PolarHBondContact O-N 3.31Å; T309-L312 VanDerWaalsContact O-N 3.15Å; A310-L312 VanDerWaalsContact C-N 3.33Å; A310-L312 PolarHBondContact O-N 2.88Å; L312-R315 PolarHBondContact O-N 2.89Å; L312-Q316 PolarHBondContact O-N 3.39Å |
| 313 | M | 90.7 | Very high | 90.4 | Very high | 132 Ų | 132 | 105.1 Ų | 105.1 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 174.7 | -72.6 | -175.5 | 173.9 | 0 | 0 | 111.5 | T309 A310 R315 Q316 Q317 | T309-M313 WeakPolarHBondContact O-CG 3.25Å; T309-M313 PolarHBondContact O-N 2.95Å; A310-M313 PolarHBondContact O-N 2.91Å; M313-R315 VanDerWaalsContact C-N 3.34Å; M313-R315 PolarHBondContact O-N 3.45Å; M313-Q316 WeakPolarHBondContact O-CB 3.45Å; M313-Q316 PolarHBondContact O-N 3.47Å; M313-Q316 VanDerWaalsContact O-N 3.14Å; M313-Q317 WeakPolarHBondContact O-CB 3.34Å; M313-Q317 PolarHBondContact O-N 3.33Å |
| 314 | E | 89.9 | Confident | 90.4 | Very high | 134 Ų | 134 | 102.8 Ų | 102.8 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 175.9 | -170 | -176.1 | -179.5 | 0 | 0 | 111.5 | A310 Q316 Q317 A318 | A310-E314 PolarHBondContact O-N 2.89Å; E314-Q316 PolarHBondContact O-N 3.31Å; E314-Q317 PolarHBondContact O-N 2.91Å; E314-A318 WeakPolarHBondContact O-CB 3.28Å; E314-A318 PolarHBondContact O-N 3.3Å |
| 315 | R | 90.7 | Very high | 90.1 | Very high | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 173.9 | -75.5 | 177.1 | 178.2 | -174.3 | 0.3 | 112.6 | L311 L312 M313 A318 R319 | L311-R315 WeakPolarHBondContact O-CG 3.46Å; L311-R315 PolarHBondContact O-N 3.23Å; L312-R315 PolarHBondContact O-N 2.89Å; M313-R315 VanDerWaalsContact C-N 3.34Å; M313-R315 PolarHBondContact O-N 3.45Å; R315-A318 PolarHBondContact O-N 3.46Å; R315-R319 WeakPolarHBondContact O-CG 3.31Å; R315-R319 PolarHBondContact O-N 3.12Å |
| 316 | Q | 90.8 | Very high | 89.9 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.8 | -178.1 | 177.2 | -6.6 | 0 | 0 | 110.8 | L312 M313 E314 A318 R319 I320 | L312-Q316 PolarHBondContact O-N 3.39Å; M313-Q316 WeakPolarHBondContact O-CB 3.45Å; M313-Q316 PolarHBondContact O-N 3.47Å; M313-Q316 VanDerWaalsContact O-N 3.14Å; E314-Q316 PolarHBondContact O-N 3.31Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 2.8Å; Q316-R319 WeakPolarHBondContact O-CB 3.24Å; Q316-R319 PolarHBondContact O-N 3.29Å; Q316-R319 VanDerWaalsContact O-N 3.13Å; Q316-I320 HydrophobicContact CG-CD1 4.1Å; Q316-I320 WeakPolarHBondContact O-CG1 3.27Å; Q316-I320 PolarHBondContact O-N 3.09Å |
| 317 | Q | 89.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 111.5 Ų | 111.5 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176 | -166.2 | 65.9 | 27.5 | 0 | 0 | 111.2 | M313 E314 R319 I320 N321 | M313-Q317 WeakPolarHBondContact O-CB 3.34Å; M313-Q317 PolarHBondContact O-N 3.33Å; E314-Q317 PolarHBondContact O-N 2.91Å; Q317-R319 VanDerWaalsContact C-N 3.33Å; Q317-R319 PolarHBondContact O-N 3.09Å; Q317-I320 PolarHBondContact O-N 2.98Å; Q317-N321 WeakPolarHBondContact O-CB 3.49Å; Q317-N321 PolarHBondContact O-N 2.97Å |
| 318 | A | 88.9 | Confident | 89.6 | Confident | 57 Ų | 57 | 114.1 Ų | 114.1 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E314 R315 Q316 K322 | E314-A318 WeakPolarHBondContact O-CB 3.28Å; E314-A318 PolarHBondContact O-N 3.3Å; R315-A318 PolarHBondContact O-N 3.46Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 2.8Å; A318-K322 WeakPolarHBondContact O-CB 3.42Å; A318-K322 PolarHBondContact O-N 3.13Å |
| 319 | R | 90.2 | Very high | 89.4 | Confident | 177 Ų | 177 | 110.1 Ų | 110.1 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 174.1 | -71 | 171.6 | -173.6 | 168.9 | 0.9 | 111.8 | R315 Q316 Q317 K322 Q323 | R315-R319 WeakPolarHBondContact O-CG 3.31Å; R315-R319 PolarHBondContact O-N 3.12Å; Q316-R319 WeakPolarHBondContact O-CB 3.24Å; Q316-R319 PolarHBondContact O-N 3.29Å; Q316-R319 VanDerWaalsContact O-N 3.13Å; Q317-R319 VanDerWaalsContact C-N 3.33Å; Q317-R319 PolarHBondContact O-N 3.09Å; R319-K322 WeakPolarHBondContact O-CB 3.22Å; R319-K322 PolarHBondContact O-N 2.98Å; R319-Q323 PolarHBondContact O-N 3.02Å |
| 320 | I | 89.9 | Confident | 89.3 | Confident | 72 Ų | 72 | 111.5 Ų | 111.5 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.9 | -67 | 168.5 | 0 | 0 | 0 | 109.7 | Q316 Q317 K322 Q323 L324 | Q316-I320 HydrophobicContact CG-CD1 4.1Å; Q316-I320 WeakPolarHBondContact O-CG1 3.27Å; Q316-I320 PolarHBondContact O-N 3.09Å; Q317-I320 PolarHBondContact O-N 2.98Å; I320-K322 VanDerWaalsContact C-N 3.27Å; I320-K322 PolarHBondContact O-N 3.3Å; I320-Q323 WeakPolarHBondContact O-CB 3.28Å; I320-Q323 PolarHBondContact O-N 3Å; I320-Q323 VanDerWaalsContact O-N 3.08Å; I320-L324 WeakPolarHBondContact O-CB 3.44Å; I320-L324 PolarHBondContact O-N 2.96Å |
| 321 | N | 89.2 | Confident | 89.1 | Confident | 67 Ų | 67 | 112.1 Ų | 112.1 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 176.6 | -72.7 | -11.1 | 0 | 0 | 0 | 111.8 | Q317 L324 R325 | Q317-N321 WeakPolarHBondContact O-CB 3.49Å; Q317-N321 PolarHBondContact O-N 2.97Å; N321-L324 PolarHBondContact O-N 3.24Å; N321-R325 WeakPolarHBondContact O-CB 3.46Å; N321-R325 WeakPolarHBondContact O-CG 3.27Å; N321-R325 PolarHBondContact O-N 3.33Å |
| 322 | K | 89.9 | Confident | 88.8 | Confident | 126 Ų | 126 | 111.4 Ų | 111.4 | 55% | 0.548 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.1 | -172.7 | 176 | -176.3 | 174.1 | 0 | 112.2 | A318 R319 I320 R326 | A318-K322 WeakPolarHBondContact O-CB 3.42Å; A318-K322 PolarHBondContact O-N 3.13Å; R319-K322 WeakPolarHBondContact O-CB 3.22Å; R319-K322 PolarHBondContact O-N 2.98Å; I320-K322 VanDerWaalsContact C-N 3.27Å; I320-K322 PolarHBondContact O-N 3.3Å; K322-R326 WeakPolarHBondContact O-CG 3.39Å; K322-R326 PolarHBondContact O-N 3.45Å |
| 323 | Q | 88.9 | Confident | 88.5 | Confident | 125 Ų | 125 | 109.3 Ų | 109.3 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 173.6 | -74.8 | 177.9 | -23.5 | 0 | 0 | 111.1 | R319 I320 R325 R326 T327 | R319-Q323 PolarHBondContact O-N 3.02Å; I320-Q323 WeakPolarHBondContact O-CB 3.28Å; I320-Q323 PolarHBondContact O-N 3Å; I320-Q323 VanDerWaalsContact O-N 3.08Å; Q323-R325 VanDerWaalsContact C-N 3.34Å; Q323-R325 PolarHBondContact O-N 3.09Å; Q323-R326 WeakPolarHBondContact O-CB 3.44Å; Q323-R326 PolarHBondContact O-N 2.91Å; Q323-R326 VanDerWaalsContact O-N 3.15Å; Q323-T327 PolarHBondContact O-N 3.31Å; Q323-T327 PolarHBondContact O-OG1 3.41Å |
| 324 | L | 87.7 | Confident | 88.2 | Confident | 105 Ų | 105 | 109.3 Ų | 109.3 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -43 | 178 | -165.2 | 73.6 | 0 | 0 | 0 | 111.5 | I320 N321 T327 Q328 | I320-L324 WeakPolarHBondContact O-CB 3.44Å; I320-L324 PolarHBondContact O-N 2.96Å; N321-L324 PolarHBondContact O-N 3.24Å; L324-T327 VanDerWaalsContact CA-OG1 3.3Å; L324-T327 WeakPolarHBondContact CA-OG1 3.42Å; L324-T327 PolarHBondContact O-N 2.9Å; L324-T327 PolarHBondContact O-OG1 3.24Å; L324-Q328 VanDerWaalsContact O-CB 3.29Å; L324-Q328 WeakPolarHBondContact O-CB 3.42Å; L324-Q328 PolarHBondContact O-N 3.49Å |
| 325 | R | 87.8 | Confident | 88 | Confident | 173 Ų | 173 | 108.5 Ų | 108.5 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -47.1 | 172.7 | -74.7 | -177 | -160.2 | -146.2 | 5.1 | 111.6 | N321 Q323 T327 Q328 D329 | N321-R325 WeakPolarHBondContact O-CB 3.46Å; N321-R325 WeakPolarHBondContact O-CG 3.27Å; N321-R325 PolarHBondContact O-N 3.33Å; Q323-R325 VanDerWaalsContact C-N 3.34Å; Q323-R325 PolarHBondContact O-N 3.09Å; R325-T327 PolarHBondContact O-N 3.5Å; R325-Q328 WeakPolarHBondContact O-CB 3.2Å; R325-Q328 PolarHBondContact O-N 2.99Å; R325-Q328 VanDerWaalsContact O-N 3.15Å; R325-D329 WeakPolarHBondContact O-CB 3.42Å; R325-D329 PolarHBondContact O-N 3.42Å |
| 326 | R | 86.8 | Confident | 87.6 | Confident | 151 Ų | 151 | 103.4 Ų | 103.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 176.2 | -74.6 | 173.3 | 173.2 | -173.3 | -5 | 112.7 | K322 Q323 Q328 D329 N330 | K322-R326 WeakPolarHBondContact O-CG 3.39Å; K322-R326 PolarHBondContact O-N 3.45Å; Q323-R326 WeakPolarHBondContact O-CB 3.44Å; Q323-R326 PolarHBondContact O-N 2.91Å; Q323-R326 VanDerWaalsContact O-N 3.15Å; R326-Q328 VanDerWaalsContact C-N 3.32Å; R326-D329 PolarHBondContact O-N 3.39Å; R326-N330 WeakPolarHBondContact O-CB 3.41Å; R326-N330 VanDerWaalsContact O-CG 3.22Å; R326-N330 PolarHBondContact O-N 3.02Å |
| 327 | T | 88.1 | Confident | 87.1 | Confident | 77 Ų | 77 | 104.1 Ų | 104.1 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | Q323 L324 R325 N330 T331 | Q323-T327 PolarHBondContact O-N 3.31Å; Q323-T327 PolarHBondContact O-OG1 3.41Å; L324-T327 VanDerWaalsContact CA-OG1 3.3Å; L324-T327 WeakPolarHBondContact CA-OG1 3.42Å; L324-T327 PolarHBondContact O-N 2.9Å; L324-T327 PolarHBondContact O-OG1 3.24Å; R325-T327 PolarHBondContact O-N 3.5Å; T327-N330 PolarHBondContact O-N 2.93Å; T327-T331 WeakPolarHBondContact O-CG2 3.47Å; T327-T331 PolarHBondContact O-N 3.13Å; T327-T331 PolarHBondContact O-OG1 3.43Å |
| 328 | Q | 87.3 | Confident | 86.8 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 178 | -167.5 | 172.6 | 6.4 | 0 | 0 | 111.7 | L324 R325 R326 T331 N332 | L324-Q328 VanDerWaalsContact O-CB 3.29Å; L324-Q328 WeakPolarHBondContact O-CB 3.42Å; L324-Q328 PolarHBondContact O-N 3.49Å; R325-Q328 WeakPolarHBondContact O-CB 3.2Å; R325-Q328 PolarHBondContact O-N 2.99Å; R325-Q328 VanDerWaalsContact O-N 3.15Å; R326-Q328 VanDerWaalsContact C-N 3.32Å; Q328-T331 VanDerWaalsContact CA-OG1 3.32Å; Q328-T331 WeakPolarHBondContact CA-OG1 3.27Å; Q328-T331 PolarHBondContact O-N 2.94Å; Q328-T331 PolarHBondContact O-OG1 3.46Å; Q328-N332 WeakPolarHBondContact O-CB 3.41Å; Q328-N332 PolarHBondContact O-N 3.16Å; Q328-N332 PolarHBondContact O-ND2 2.93Å |
| 329 | D | 86.2 | Confident | 86.3 | Confident | 100 Ų | 100 | 104.6 Ų | 104.6 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.4 | -65.5 | -24.4 | 0 | 0 | 0 | 110.9 | R325 R326 N332 A333 | R325-D329 WeakPolarHBondContact O-CB 3.42Å; R325-D329 PolarHBondContact O-N 3.42Å; R326-D329 PolarHBondContact O-N 3.39Å; D329-N332 PolarHBondContact O-N 3.32Å; D329-A333 WeakPolarHBondContact O-CB 3.38Å; D329-A333 PolarHBondContact O-N 2.92Å |
| 330 | N | 88.1 | Confident | 85.7 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 175.9 | -71.8 | -11.5 | 0 | 0 | 0 | 112.4 | R326 T327 N332 A333 Q334 | R326-N330 WeakPolarHBondContact O-CB 3.41Å; R326-N330 VanDerWaalsContact O-CG 3.22Å; R326-N330 PolarHBondContact O-N 3.02Å; T327-N330 PolarHBondContact O-N 2.93Å; N330-N332 VanDerWaalsContact C-N 3.3Å; N330-N332 PolarHBondContact O-N 3.48Å; N330-A333 PolarHBondContact O-N 3.46Å; N330-Q334 WeakPolarHBondContact O-CG 3.34Å; N330-Q334 PolarHBondContact O-N 3.26Å |
| 331 | T | 86.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 104 Ų | 104 | 41% | 0.411 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | T327 Q328 Q334 L335 | T327-T331 WeakPolarHBondContact O-CG2 3.47Å; T327-T331 PolarHBondContact O-N 3.13Å; T327-T331 PolarHBondContact O-OG1 3.43Å; Q328-T331 VanDerWaalsContact CA-OG1 3.32Å; Q328-T331 WeakPolarHBondContact CA-OG1 3.27Å; Q328-T331 PolarHBondContact O-N 2.94Å; Q328-T331 PolarHBondContact O-OG1 3.46Å; T331-Q334 PolarHBondContact O-N 2.92Å; T331-L335 WeakPolarHBondContact O-CB 3.17Å; T331-L335 WeakPolarHBondContact O-CG 3.38Å; T331-L335 PolarHBondContact O-N 3.19Å |
| 332 | N | 86 | Confident | 84.6 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176 | -73 | -13.6 | 0 | 0 | 0 | 111.5 | Q328 D329 N330 L335 A336 | Q328-N332 WeakPolarHBondContact O-CB 3.41Å; Q328-N332 PolarHBondContact O-N 3.16Å; Q328-N332 PolarHBondContact O-ND2 2.93Å; D329-N332 PolarHBondContact O-N 3.32Å; N330-N332 VanDerWaalsContact C-N 3.3Å; N330-N332 PolarHBondContact O-N 3.48Å; N332-L335 PolarHBondContact O-N 3.01Å; N332-A336 WeakPolarHBondContact O-CB 3.49Å; N332-A336 PolarHBondContact O-N 3.45Å |
| 333 | A | 85 | Confident | 83.7 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D329 N330 L335 A336 E337 | D329-A333 WeakPolarHBondContact O-CB 3.38Å; D329-A333 PolarHBondContact O-N 2.92Å; N330-A333 PolarHBondContact O-N 3.46Å; A333-L335 PolarHBondContact O-N 2.87Å; A333-A336 WeakPolarHBondContact O-CB 3.4Å; A333-A336 PolarHBondContact O-N 3.24Å; A333-E337 PolarHBondContact O-N 2.88Å |
| 334 | Q | 85.4 | Confident | 83 | Confident | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 175 | -71.5 | 176.3 | -10.8 | 0 | 0 | 112.3 | N330 T331 A336 E337 A338 | N330-Q334 WeakPolarHBondContact O-CG 3.34Å; N330-Q334 PolarHBondContact O-N 3.26Å; T331-Q334 PolarHBondContact O-N 2.92Å; Q334-A336 VanDerWaalsContact C-N 3.33Å; Q334-E337 PolarHBondContact O-N 2.95Å; Q334-A338 WeakPolarHBondContact O-CB 3.27Å; Q334-A338 PolarHBondContact O-N 3.35Å |
| 335 | L | 84.4 | Confident | 82.2 | Confident | 117 Ų | 117 | 104.6 Ų | 104.6 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 174.3 | -77.4 | 169.1 | 0 | 0 | 0 | 112 | T331 N332 A333 H339 | T331-L335 WeakPolarHBondContact O-CB 3.17Å; T331-L335 WeakPolarHBondContact O-CG 3.38Å; T331-L335 PolarHBondContact O-N 3.19Å; N332-L335 PolarHBondContact O-N 3.01Å; A333-L335 PolarHBondContact O-N 2.87Å; L335-H339 VanDerWaalsContact O-CB 3.31Å; L335-H339 WeakPolarHBondContact O-CB 3.48Å; L335-H339 PolarHBondContact O-N 3.24Å |
| 336 | A | 81.9 | Confident | 81.4 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N332 A333 Q334 H339 H340 | N332-A336 WeakPolarHBondContact O-CB 3.49Å; N332-A336 PolarHBondContact O-N 3.45Å; A333-A336 WeakPolarHBondContact O-CB 3.4Å; A333-A336 PolarHBondContact O-N 3.24Å; Q334-A336 VanDerWaalsContact C-N 3.33Å; A336-H339 PolarHBondContact O-N 3.43Å; A336-H340 WeakPolarHBondContact O-CB 3.22Å; A336-H340 PolarHBondContact O-N 3.34Å |
| 337 | E | 81.9 | Confident | 80.5 | Confident | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -48.6 | 173.1 | -76 | -179.8 | 173.4 | 0 | 0 | 111.6 | A333 Q334 H339 H340 E341 | A333-E337 PolarHBondContact O-N 2.88Å; Q334-E337 PolarHBondContact O-N 2.95Å; E337-H339 VanDerWaalsContact C-N 3.3Å; E337-H339 PolarHBondContact O-N 3.16Å; E337-H340 CarbonylContact O-C 3.6Å; E337-H340 WeakPolarHBondContact O-CA 3.3Å; E337-H340 WeakPolarHBondContact O-CB 3.48Å; E337-H340 PolarHBondContact O-N 2.89Å; E337-E341 WeakPolarHBondContact O-CG 3.49Å; E337-E341 PolarHBondContact O-N 2.93Å |
| 338 | A | 81.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 103.3 Ų | 103.3 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q334 E341 Q342 | Q334-A338 WeakPolarHBondContact O-CB 3.27Å; Q334-A338 PolarHBondContact O-N 3.35Å; A338-E341 PolarHBondContact O-N 2.94Å; A338-Q342 WeakPolarHBondContact O-CB 3.31Å; A338-Q342 PolarHBondContact O-N 2.87Å |
| 339 | H | 79.8 | Confident | 78.2 | Confident | 119 Ų | 119 | 101.9 Ų | 101.9 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 174.8 | -170.3 | -82.9 | 0 | 0 | 0 | 112.1 | L335 A336 E337 Q342 T343 | L335-H339 VanDerWaalsContact O-CB 3.31Å; L335-H339 WeakPolarHBondContact O-CB 3.48Å; L335-H339 PolarHBondContact O-N 3.24Å; A336-H339 PolarHBondContact O-N 3.43Å; E337-H339 VanDerWaalsContact C-N 3.3Å; E337-H339 PolarHBondContact O-N 3.16Å; H339-Q342 PolarHBondContact O-N 3.29Å; H339-T343 WeakPolarHBondContact O-CG2 3.34Å; H339-T343 PolarHBondContact O-N 3.45Å; H339-T343 PolarHBondContact O-OG1 2.94Å |
| 340 | H | 78.1 | Confident | 77.1 | Confident | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 175.1 | -173.5 | 58.8 | 0 | 0 | 0 | 112.6 | A336 E337 T343 K344 | A336-H340 WeakPolarHBondContact O-CB 3.22Å; A336-H340 PolarHBondContact O-N 3.34Å; E337-H340 CarbonylContact O-C 3.6Å; E337-H340 WeakPolarHBondContact O-CA 3.3Å; E337-H340 WeakPolarHBondContact O-CB 3.48Å; E337-H340 PolarHBondContact O-N 2.89Å; H340-T343 VanDerWaalsContact CA-OG1 3.3Å; H340-T343 WeakPolarHBondContact CA-OG1 3.4Å; H340-T343 PolarHBondContact O-OG1 3.33Å; H340-K344 WeakPolarHBondContact NE2-CE 3.39Å; H340-K344 PolarHBondContact NE2-NZ 2.94Å; H340-K344 PolarHBondContact O-N 2.9Å; H340-K344 VanDerWaalsContact O-N 3.09Å |
| 341 | E | 78.4 | Confident | 75.7 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 64% | 0.64 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -41.3 | 174.3 | -70.4 | -176.4 | 164.9 | 0 | 0 | 112 | E337 A338 K344 Y345 | E337-E341 WeakPolarHBondContact O-CG 3.49Å; E337-E341 PolarHBondContact O-N 2.93Å; A338-E341 PolarHBondContact O-N 2.94Å; E341-K344 PolarHBondContact O-N 3.41Å; E341-Y345 WeakPolarHBondContact O-CB 3.24Å; E341-Y345 PolarHBondContact O-N 3.49Å |
| 342 | Q | 76.9 | Confident | 74.7 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.1 | -42.1 | 176.4 | -168.9 | -179.4 | 14.1 | 0 | 0 | 111.9 | A338 H339 Y345 L346 | A338-Q342 WeakPolarHBondContact O-CB 3.31Å; A338-Q342 PolarHBondContact O-N 2.87Å; H339-Q342 PolarHBondContact O-N 3.29Å; Q342-Y345 PolarHBondContact O-N 3.33Å; Q342-L346 HydrophobicContact CG-CD1 4.24Å; Q342-L346 VanDerWaalsContact O-CG 3.32Å; Q342-L346 WeakPolarHBondContact O-CG 3.31Å; Q342-L346 PolarHBondContact O-N 2.93Å |
| 343 | T | 71.4 | Confident | 73.7 | Confident | 48 Ų | 48 | 112.8 Ų | 112.8 | 29% | 0.294 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.3 | -44.3 | 175.4 | 43.3 | 0 | 0 | 0 | 0 | 111.9 | H339 H340 Y345 L346 E347 | H339-T343 WeakPolarHBondContact O-CG2 3.34Å; H339-T343 PolarHBondContact O-N 3.45Å; H339-T343 PolarHBondContact O-OG1 2.94Å; H340-T343 VanDerWaalsContact CA-OG1 3.3Å; H340-T343 WeakPolarHBondContact CA-OG1 3.4Å; H340-T343 PolarHBondContact O-OG1 3.33Å; T343-Y345 VanDerWaalsContact C-N 3.33Å; T343-Y345 PolarHBondContact O-N 2.97Å; T343-L346 PolarHBondContact O-N 3.41Å; T343-E347 WeakPolarHBondContact O-CG 3.49Å; T343-E347 PolarHBondContact O-N 3.31Å |
| 344 | K | 72.9 | Confident | 72.7 | Confident | 109 Ų | 109 | 114 Ų | 114 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.9 | -38.1 | 172.3 | -82.5 | 179.2 | 173.7 | 163.2 | 0 | 113.6 | H340 E341 K348 | H340-K344 WeakPolarHBondContact NE2-CE 3.39Å; H340-K344 PolarHBondContact NE2-NZ 2.94Å; H340-K344 PolarHBondContact O-N 2.9Å; H340-K344 VanDerWaalsContact O-N 3.09Å; E341-K344 PolarHBondContact O-N 3.41Å; K344-K348 PolarHBondContact O-N 3.5Å |
| 345 | Y | 71.7 | Confident | 71.7 | Confident | 159 Ų | 159 | 113 Ų | 113 | 62% | 0.624 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.3 | -45.5 | 175.6 | 177.2 | -97.2 | 0 | 0 | 0 | 111 | E341 Q342 T343 E347 K348 V349 | E341-Y345 WeakPolarHBondContact O-CB 3.24Å; E341-Y345 PolarHBondContact O-N 3.49Å; Q342-Y345 PolarHBondContact O-N 3.33Å; T343-Y345 VanDerWaalsContact C-N 3.33Å; T343-Y345 PolarHBondContact O-N 2.97Å; Y345-E347 PolarHBondContact O-N 2.96Å; Y345-K348 PolarHBondContact O-N 3.03Å; Y345-V349 HydrophobicContact CD1-CG2 4.29Å; Y345-V349 HydrophobicContact CE1-CG2 3.84Å; Y345-V349 HydrophobicContact CE2-CG2 4.36Å; Y345-V349 WeakPolarHBondContact O-CG2 3.41Å; Y345-V349 PolarHBondContact O-N 3.48Å |
| 346 | L | 71.6 | Confident | 70.7 | Confident | 67 Ų | 67 | 113.5 Ų | 113.5 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -41.9 | 177.3 | -71.6 | 165.4 | 0 | 0 | 0 | 111.9 | Q342 T343 K348 V349 Y350 | Q342-L346 HydrophobicContact CG-CD1 4.24Å; Q342-L346 VanDerWaalsContact O-CG 3.32Å; Q342-L346 WeakPolarHBondContact O-CG 3.31Å; Q342-L346 PolarHBondContact O-N 2.93Å; T343-L346 PolarHBondContact O-N 3.41Å; L346-K348 PolarHBondContact O-N 3.44Å; L346-V349 PolarHBondContact O-N 3.41Å; L346-V349 VanDerWaalsContact O-N 3.08Å; L346-Y350 HydrophobicContact CB-CD2 4.35Å; L346-Y350 HydrophobicContact CB-CE2 4.18Å; L346-Y350 HydrophobicContact CD2-CE2 3.91Å; L346-Y350 WeakPolarHBondContact O-CD2 3.24Å; L346-Y350 PolarHBondContact O-N 2.97Å; L346-Y350 VanDerWaalsContact O-N 3.15Å |
| 347 | E | 66.6 | Low | 70 | Confident | 140 Ų | 140 | 113.9 Ų | 113.9 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.6 | -31.8 | 175.6 | -77.3 | 177.2 | 173.4 | 0 | 0 | 113.1 | T343 Y345 | T343-E347 WeakPolarHBondContact O-CG 3.49Å; T343-E347 PolarHBondContact O-N 3.31Å; Y345-E347 PolarHBondContact O-N 2.96Å |
| 348 | K | 63.5 | Low | 69.5 | Low | 167 Ų | 167 | 113.7 Ų | 113.7 | 73% | 0.726 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78.4 | -27.2 | 175 | -72.7 | -179.4 | 179.3 | -179.7 | 0 | 114 | K344 Y345 L346 T351 | K344-K348 PolarHBondContact O-N 3.5Å; Y345-K348 PolarHBondContact O-N 3.03Å; L346-K348 PolarHBondContact O-N 3.44Å; K348-T351 PolarHBondContact O-OG1 3.01Å |
| 349 | V | 63.4 | Low | 68.8 | Low | 77 Ų | 77 | 116.8 Ų | 116.8 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.1 | -26.4 | -179.6 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | Y345 L346 T351 | Y345-V349 HydrophobicContact CD1-CG2 4.29Å; Y345-V349 HydrophobicContact CE1-CG2 3.84Å; Y345-V349 HydrophobicContact CE2-CG2 4.36Å; Y345-V349 WeakPolarHBondContact O-CG2 3.41Å; Y345-V349 PolarHBondContact O-N 3.48Å; L346-V349 PolarHBondContact O-N 3.41Å; L346-V349 VanDerWaalsContact O-N 3.08Å; V349-T351 VanDerWaalsContact C-N 3.35Å; V349-T351 PolarHBondContact O-N 3.18Å |
| 350 | Y | 64.9 | Low | 68 | Low | 182 Ų | 182 | 115.4 Ų | 115.4 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 27.4 | -178.6 | -68.1 | -60.9 | 0 | 0 | 0 | 115 | L346 | L346-Y350 HydrophobicContact CB-CD2 4.35Å; L346-Y350 HydrophobicContact CB-CE2 4.18Å; L346-Y350 HydrophobicContact CD2-CE2 3.91Å; L346-Y350 WeakPolarHBondContact O-CD2 3.24Å; L346-Y350 PolarHBondContact O-N 2.97Å; L346-Y350 VanDerWaalsContact O-N 3.15Å |
| 351 | T | 58 | Low | 67.5 | Low | 94 Ų | 94 | 117.6 Ų | 117.6 | 58% | 0.577 | 58% | 0.584 | S | S | * | * | trans | -108.7 | 99.4 | 170.6 | 56 | 0 | 0 | 0 | 0 | 110.7 | K348 V349 I353 | K348-T351 PolarHBondContact O-OG1 3.01Å; V349-T351 VanDerWaalsContact C-N 3.35Å; V349-T351 PolarHBondContact O-N 3.18Å; T351-I353 PolarHBondContact O-N 3.08Å | ||
| 352 | N | 66.3 | Low | 66.8 | Low | 157 Ų | 157 | 117.2 Ų | 117.2 | 84% | 0.84 | 58% | 0.58 | S | S | * | * | trans | -82.2 | 108.7 | 175.9 | -67.2 | -23.7 | 0 | 0 | 0 | 109.9 | ||||
| 353 | I | 64.4 | Low | 66 | Low | 150 Ų | 150 | 119.2 Ų | 119.2 | 77% | 0.769 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 120.4 | 167.5 | -58.4 | 172.1 | 0 | 0 | 0 | 106.6 | T351 D355 | T351-I353 PolarHBondContact O-N 3.08Å; I353-D355 PolarHBondContact O-N 3.2Å |
| 354 | P | 63.1 | Low | 65.4 | Low | 79 Ų | 79 | 123.2 Ų | 123.2 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 132.7 | 177.9 | 24.6 | -31.4 | 0 | 0 | 0 | 110.8 | F359 | P354-F359 HydrophobicContact CB-CE2 4.39Å; P354-F359 HydrophobicContact CB-CZ 4.48Å; P354-F359 HydrophobicContact CG-CE2 4.31Å; P354-F359 HydrophobicContact CG-CZ 4.19Å |
| 355 | D | 64.5 | Low | 64.3 | Low | 111 Ų | 111 | 122.5 Ų | 122.5 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142.7 | -178.5 | -178.7 | 35.5 | 0 | 0 | 0 | 111.6 | I353 S357 Y358 | I353-D355 PolarHBondContact O-N 3.2Å; D355-S357 PolarHBondContact O-N 2.94Å; D355-S357 PolarHBondContact OD2-OG 3.02Å; D355-Y358 WeakPolarHBondContact O-CB 3.13Å; D355-Y358 PolarHBondContact O-N 2.99Å |
| 356 | D | 64.8 | Low | 63.6 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.8 | -19.1 | -173.8 | -86.9 | -18 | 0 | 0 | 0 | 113.4 | Y358 F359 S360 | D356-Y358 PolarHBondContact O-N 3.32Å; D356-F359 PolarHBondContact O-N 3.16Å; D356-S360 PolarHBondContact O-N 2.68Å; D356-S360 PolarHBondContact O-OG 3.45Å |
| 357 | S | 66.8 | Low | 62.2 | Low | 67 Ų | 67 | 132.7 Ų | 132.7 | 47% | 0.469 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -61.7 | -24 | 170.1 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | D355 | D355-S357 PolarHBondContact O-N 2.94Å; D355-S357 PolarHBondContact OD2-OG 3.02Å |
| 358 | Y | 70.4 | Confident | 62 | Low | 126 Ų | 126 | 132.3 Ų | 132.3 | 49% | 0.494 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -71.2 | -43.2 | 177 | 177.8 | -104.5 | 0 | 0 | 0 | 112.4 | D355 D356 S360 | D355-Y358 WeakPolarHBondContact O-CB 3.13Å; D355-Y358 PolarHBondContact O-N 2.99Å; D356-Y358 PolarHBondContact O-N 3.32Å; Y358-S360 VanDerWaalsContact C-N 3.29Å; Y358-S360 PolarHBondContact O-N 3.02Å |
| 359 | F | 67.6 | Low | 61.9 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 52% | 0.518 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -74.5 | -21.9 | -178.4 | -62.4 | -69.8 | 0 | 0 | 0 | 113.1 | P354 D356 Q361 | P354-F359 HydrophobicContact CB-CE2 4.39Å; P354-F359 HydrophobicContact CB-CZ 4.48Å; P354-F359 HydrophobicContact CG-CE2 4.31Å; P354-F359 HydrophobicContact CG-CZ 4.19Å; D356-F359 PolarHBondContact O-N 3.16Å; F359-Q361 PolarHBondContact O-N 2.91Å |
| 360 | S | 63.8 | Low | 61.8 | Low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -7.5 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 114 | D356 Y358 | D356-S360 PolarHBondContact O-N 2.68Å; D356-S360 PolarHBondContact O-OG 3.45Å; Y358-S360 VanDerWaalsContact C-N 3.29Å; Y358-S360 PolarHBondContact O-N 3.02Å |
| 361 | Q | 66.9 | Low | 61.7 | Low | 145 Ų | 145 | 130.6 Ų | 130.6 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -7.5 | -177.7 | -62.4 | -179.5 | 6.4 | 0 | 0 | 113.9 | F359 | F359-Q361 PolarHBondContact O-N 2.91Š|
| 362 | F | 63.7 | Low | 61.9 | Low | 130 Ų | 130 | 132.9 Ų | 132.9 | 57% | 0.57 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -102.9 | 135.2 | -175.9 | -69.6 | -91 | 0 | 0 | 0 | 111.9 | ||
| 363 | N | 59.4 | Low | 61.6 | Low | 162 Ų | 162 | 131.3 Ų | 131.3 | 87% | 0.866 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 65.1 | 45.3 | 169.2 | -59 | -21.8 | 0 | 0 | 0 | 118.3 | ||
| 364 | T | 58.2 | Low | 61.4 | Low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -112 | -0.6 | 168.7 | 55.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 365 | S | 51.4 | Low | 61.3 | Low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -104.6 | 136.5 | 165.1 | 84.2 | 0 | 0 | 0 | 0 | 110.7 | R367 | S365-R367 PolarHBondContact O-N 3.15Š|
| 366 | S | 57 | Low | 61 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 96% | 0.958 | 71% | 0.705 | S | S | * | * | trans | -75.6 | 41.8 | -175.4 | 52.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 367 | R | 41.9 | Very low | 60.6 | Low | 303 Ų | 303 | 136.5 Ų | 136.5 | 100% | 1.143 | 71% | 0.707 | S | S | * | * | trans | -122.1 | 0 | 172.3 | -118.1 | -172.7 | -177.4 | -172.7 | 1 | 111.6 | S365 | S365-R367 PolarHBondContact O-N 3.15Š|
Retrieved 367 of 367 residues in 192.3 ms
(Link to these results)