| 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 | 43.4 | Very low | 53.7 | Low | 234 Ų | 234 | 145.8 Ų | 145.8 | 100% | 1.153 | 79% | 0.785 | S | S | * | * | 0 | 125.4 | 0 | -66.2 | -170.9 | -163.3 | 0 | 0 | 106.5 | L3 | M1-L3 PolarHBondContact O-N 3.14Š| |||
| 2 | A | 41.6 | Very low | 56 | Low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -66.2 | 126.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110 | N4 | A2-N4 PolarHBondContact O-N 3.31Š| ||
| 3 | L | 49.4 | Very low | 57.7 | Low | 165 Ų | 165 | 147.4 Ų | 147.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -83.8 | 90.2 | 165.5 | -47.5 | -177.4 | 0 | 0 | 0 | 105.3 | M1 A5 | M1-L3 PolarHBondContact O-N 3.14Å; L3-A5 PolarHBondContact O-N 2.62Å | ||
| 4 | N | 49.2 | Very low | 59.4 | Low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -72.8 | 85.4 | 154.8 | -63.1 | -59.8 | 0 | 0 | 0 | 104.2 | A2 D6 | A2-N4 PolarHBondContact O-N 3.31Å; N4-D6 PolarHBondContact O-N 3.37Å | ||
| 5 | A | 54.8 | Low | 61.2 | Low | 76 Ų | 76 | 137.8 Ų | 137.8 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | trans | -71.1 | 113.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 103.4 | L3 D7 | L3-A5 PolarHBondContact O-N 2.62Å; A5-D7 PolarHBondContact O-N 3.03Å | ||
| 6 | D | 50.7 | Low | 62.9 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -53.3 | 98 | 167.1 | -63.8 | -83.6 | 0 | 0 | 0 | 107.2 | N4 D8 | N4-D6 PolarHBondContact O-N 3.37Å; D6-D8 WeakPolarHBondContact CB-OD2 3.28Å; D6-D8 PolarHBondContact O-N 2.78Å | ||
| 7 | D | 51.6 | Low | 64.4 | Low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -62.4 | 60.4 | 150.2 | -82 | -75 | 0 | 0 | 0 | 106.5 | A5 D9 | A5-D7 PolarHBondContact O-N 3.03Å; D7-D9 PolarHBondContact O-N 3.26Å | ||
| 8 | D | 54.5 | Low | 65.6 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | -65.7 | 81.4 | 162.9 | -85.9 | -56.5 | 0 | 0 | 0 | 105.5 | D6 F10 | D6-D8 WeakPolarHBondContact CB-OD2 3.28Å; D6-D8 PolarHBondContact O-N 2.78Å; D8-F10 PolarHBondContact O-N 3.29Å | ||
| 9 | D | 57.2 | Low | 66.8 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | 19 | 85 | 139.2 | -74.9 | -54.9 | 0 | 0 | 0 | 113.1 | D7 E11 | D7-D9 PolarHBondContact O-N 3.26Å; D9-E11 HydrophobicContact CB-CB 4.04Å; D9-E11 PolarHBondContact O-N 3.34Å | ||
| 10 | F | 59.8 | Low | 67.9 | Low | 219 Ų | 219 | 128.8 Ų | 128.8 | 96% | 0.961 | 69% | 0.688 | S | S | * | * | trans | -64.8 | 48.8 | 147.7 | -87.6 | -94.7 | 0 | 0 | 0 | 109.3 | D8 W12 | D8-F10 PolarHBondContact O-N 3.29Å; F10-W12 VanDerWaalsContact C-N 3.34Å; F10-W12 PolarHBondContact O-N 3.31Å | ||
| 11 | E | 78.4 | Confident | 68.9 | Low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | trans | -66.9 | 99.1 | 175.8 | -174.2 | 170.6 | -153.9 | 0 | 0 | 105.8 | D9 T13 | D9-E11 HydrophobicContact CB-CB 4.04Å; D9-E11 PolarHBondContact O-N 3.34Å; E11-T13 PolarHBondContact O-N 2.92Å | ||
| 12 | W | 81.1 | Confident | 71.2 | Confident | 205 Ų | 205 | 122.1 Ų | 122.1 | 78% | 0.777 | 65% | 0.654 | S | S | * | * | trans | -53.2 | 108.6 | 173.5 | 175 | 83.8 | 0 | 0 | 0 | 107.5 | F10 P14 | F10-W12 VanDerWaalsContact C-N 3.34Å; F10-W12 PolarHBondContact O-N 3.31Å; W12-P14 HydrophobicContact CH2-CB 3.84Å; W12-P14 HydrophobicContact CZ3-CB 4Å; W12-P14 HydrophobicContact CZ3-CG 4.46Å | ||
| 13 | T | 77.9 | Confident | 73.4 | Confident | 107 Ų | 107 | 122.3 Ų | 122.3 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 128 | 176 | 42.2 | 0 | 0 | 0 | 0 | 108 | E11 | E11-T13 PolarHBondContact O-N 2.92Š|
| 14 | P | 82.1 | Confident | 75.4 | Confident | 89 Ų | 89 | 120.4 Ų | 120.4 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.2 | 176.9 | 21.8 | -29.9 | 0 | 0 | 0 | 109.9 | W12 | W12-P14 HydrophobicContact CH2-CB 3.84Å; W12-P14 HydrophobicContact CZ3-CB 4Å; W12-P14 HydrophobicContact CZ3-CG 4.46Å |
| 15 | P | 86.6 | Confident | 77.2 | Confident | 62 Ų | 62 | 116.3 Ų | 116.3 | 40% | 0.403 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 145.4 | 178.4 | -26.2 | 33.9 | 0 | 0 | 0 | 112 | E19 I23 | P15-E19 HydrophobicContact CB-CB 3.92Å; P15-I23 HydrophobicContact CB-CD1 4.3Å; P15-I23 HydrophobicContact CG-CD1 4.29Å |
| 16 | S | 88.9 | Confident | 78.9 | Confident | 49 Ų | 49 | 118.5 Ų | 118.5 | 34% | 0.343 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 157.2 | 176.5 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | S18 E19 M20 | S16-S18 PolarHBondContact O-N 3.47Å; S16-S18 VanDerWaalsContact O-N 3.13Å; S16-S18 PolarHBondContact OG-OG 3.23Å; S16-S18 VanDerWaalsContact OG-OG 3.05Å; S16-E19 WeakPolarHBondContact CB-OE2 3.41Å; S16-E19 PolarHBondContact N-OE2 3.27Å; S16-E19 PolarHBondContact O-N 3.12Å; S16-E19 WeakPolarHBondContact OG-CG 3.38Å; S16-E19 PolarHBondContact OG-N 3.45Å; S16-E19 PolarHBondContact OG-OE2 2.99Å; S16-M20 WeakPolarHBondContact O-CB 3.48Å; S16-M20 PolarHBondContact O-N 3.22Å |
| 17 | E | 87.9 | Confident | 81 | Confident | 142 Ų | 142 | 120.7 Ų | 120.7 | 66% | 0.664 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -54.6 | -36 | 178.7 | -167.3 | -164.5 | 152.8 | 0 | 0 | 112.3 | K21 | E17-K21 VanDerWaalsContact O-CG 3.32Å; E17-K21 WeakPolarHBondContact O-CG 3.4Å; E17-K21 PolarHBondContact O-N 2.91Å; E17-K21 VanDerWaalsContact O-N 3.11Å; E17-K21 VanDerWaalsContact OE1-CE 3.27Å; E17-K21 WeakPolarHBondContact OE1-CE 3.3Å; E17-K21 IonicContact OE1-NZ 2.7Å; E17-K21 PolarHBondContact OE1-NZ 3.48Å |
| 18 | S | 86.3 | Confident | 83 | Confident | 79 Ų | 79 | 117.5 Ų | 117.5 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.4 | -44.2 | 174.5 | 37.3 | 0 | 0 | 0 | 0 | 112.9 | S16 M20 K21 V22 | S16-S18 PolarHBondContact O-N 3.47Å; S16-S18 VanDerWaalsContact O-N 3.13Å; S16-S18 PolarHBondContact OG-OG 3.23Å; S16-S18 VanDerWaalsContact OG-OG 3.05Å; S18-M20 VanDerWaalsContact C-N 3.34Å; S18-K21 PolarHBondContact O-N 3.34Å; S18-V22 WeakPolarHBondContact O-CG2 3.37Å; S18-V22 PolarHBondContact O-N 2.99Å |
| 19 | E | 88.6 | Confident | 84.8 | Confident | 106 Ų | 106 | 115.3 Ų | 115.3 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.4 | -38.8 | 177 | -70.6 | 164.1 | 140.8 | 0 | 0 | 110.8 | P15 S16 K21 V22 I23 | P15-E19 HydrophobicContact CB-CB 3.92Å; S16-E19 WeakPolarHBondContact CB-OE2 3.41Å; S16-E19 PolarHBondContact N-OE2 3.27Å; S16-E19 PolarHBondContact O-N 3.12Å; S16-E19 WeakPolarHBondContact OG-CG 3.38Å; S16-E19 PolarHBondContact OG-N 3.45Å; S16-E19 PolarHBondContact OG-OE2 2.99Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 3.49Å; E19-V22 PolarHBondContact O-N 3.42Å; E19-V22 VanDerWaalsContact O-N 3.13Å; E19-I23 VanDerWaalsContact O-CG1 3.25Å; E19-I23 WeakPolarHBondContact O-CG1 3.37Å; E19-I23 PolarHBondContact O-N 3.28Å |
| 20 | M | 88.3 | Confident | 86.5 | Confident | 132 Ų | 132 | 113.3 Ų | 113.3 | 65% | 0.65 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.2 | -39.3 | 177.4 | -162.6 | 171.6 | -150.1 | 0 | 0 | 111.9 | S16 S18 I23 H24 | S16-M20 WeakPolarHBondContact O-CB 3.48Å; S16-M20 PolarHBondContact O-N 3.22Å; S18-M20 VanDerWaalsContact C-N 3.34Å; M20-I23 PolarHBondContact O-N 3.49Å; M20-H24 WeakPolarHBondContact O-CB 3.46Å; M20-H24 PolarHBondContact O-N 3.38Å |
| 21 | K | 89.3 | Confident | 88.2 | Confident | 128 Ų | 128 | 106.8 Ų | 106.8 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 174.1 | -74.1 | 169.5 | -173.9 | 169.4 | 0 | 111.9 | E17 S18 E19 H24 A25 | E17-K21 VanDerWaalsContact O-CG 3.32Å; E17-K21 WeakPolarHBondContact O-CG 3.4Å; E17-K21 PolarHBondContact O-N 2.91Å; E17-K21 VanDerWaalsContact O-N 3.11Å; E17-K21 VanDerWaalsContact OE1-CE 3.27Å; E17-K21 WeakPolarHBondContact OE1-CE 3.3Å; E17-K21 IonicContact OE1-NZ 2.7Å; E17-K21 PolarHBondContact OE1-NZ 3.48Å; S18-K21 PolarHBondContact O-N 3.34Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 3.49Å; K21-H24 PolarHBondContact O-N 3.46Å; K21-A25 WeakPolarHBondContact O-CB 3.39Å; K21-A25 PolarHBondContact O-N 3.47Å |
| 22 | V | 90.2 | Very high | 89 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 177 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | S18 E19 H24 A25 Q26 | S18-V22 WeakPolarHBondContact O-CG2 3.37Å; S18-V22 PolarHBondContact O-N 2.99Å; E19-V22 PolarHBondContact O-N 3.42Å; E19-V22 VanDerWaalsContact O-N 3.13Å; V22-H24 VanDerWaalsContact C-N 3.34Å; V22-H24 PolarHBondContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.47Å; V22-Q26 WeakPolarHBondContact O-CB 3.48Å; V22-Q26 PolarHBondContact O-N 3.07Å |
| 23 | I | 89 | Confident | 89.6 | Confident | 92 Ų | 92 | 95 Ų | 95 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 178.1 | -66.5 | 163.1 | 0 | 0 | 0 | 110.6 | P15 E19 M20 Q26 R27 | P15-I23 HydrophobicContact CB-CD1 4.3Å; P15-I23 HydrophobicContact CG-CD1 4.29Å; E19-I23 VanDerWaalsContact O-CG1 3.25Å; E19-I23 WeakPolarHBondContact O-CG1 3.37Å; E19-I23 PolarHBondContact O-N 3.28Å; M20-I23 PolarHBondContact O-N 3.49Å; I23-Q26 PolarHBondContact O-N 3.15Å; I23-R27 WeakPolarHBondContact O-CB 3.27Å; I23-R27 PolarHBondContact O-N 2.96Å |
| 24 | H | 90.3 | Very high | 90.4 | Very high | 124 Ų | 124 | 92.9 Ų | 92.9 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.4 | -47.7 | 178.2 | -173.7 | -79.9 | 0 | 0 | 0 | 111.7 | M20 K21 V22 Q26 R27 E28 | M20-H24 WeakPolarHBondContact O-CB 3.46Å; M20-H24 PolarHBondContact O-N 3.38Å; K21-H24 PolarHBondContact O-N 3.46Å; V22-H24 VanDerWaalsContact C-N 3.34Å; V22-H24 PolarHBondContact O-N 3.08Å; H24-Q26 VanDerWaalsContact C-N 3.31Å; H24-Q26 PolarHBondContact O-N 2.87Å; H24-R27 PolarHBondContact O-N 3.48Å; H24-E28 PolarHBondContact O-N 2.9Å |
| 25 | A | 87.9 | Confident | 91.1 | Very high | 57 Ų | 57 | 96.2 Ų | 96.2 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K21 V22 E28 R29 | K21-A25 WeakPolarHBondContact O-CB 3.39Å; K21-A25 PolarHBondContact O-N 3.47Å; V22-A25 PolarHBondContact O-N 3.47Å; A25-E28 PolarHBondContact O-N 2.96Å; A25-R29 PolarHBondContact O-N 3.13Å |
| 26 | Q | 90.8 | Very high | 91.5 | Very high | 122 Ų | 122 | 95.5 Ų | 95.5 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 176.1 | -173.6 | 175 | -1.3 | 0 | 0 | 111.9 | V22 I23 H24 R29 Q30 | V22-Q26 WeakPolarHBondContact O-CB 3.48Å; V22-Q26 PolarHBondContact O-N 3.07Å; I23-Q26 PolarHBondContact O-N 3.15Å; H24-Q26 VanDerWaalsContact C-N 3.31Å; H24-Q26 PolarHBondContact O-N 2.87Å; Q26-R29 PolarHBondContact O-N 3.23Å; Q26-Q30 VanDerWaalsContact O-CG 3.31Å; Q26-Q30 WeakPolarHBondContact O-CG 3.2Å; Q26-Q30 PolarHBondContact O-N 3.4Å |
| 27 | R | 93.8 | Very high | 91.8 | Very high | 176 Ų | 176 | 94.8 Ų | 94.8 | 66% | 0.664 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 175.5 | 178.3 | 176.1 | -107.1 | 178.1 | -3.8 | 111.2 | I23 H24 R29 Q30 D31 | I23-R27 WeakPolarHBondContact O-CB 3.27Å; I23-R27 PolarHBondContact O-N 2.96Å; H24-R27 PolarHBondContact O-N 3.48Å; R27-R29 VanDerWaalsContact C-N 3.3Å; R27-R29 PolarHBondContact O-N 3.13Å; R27-Q30 PolarHBondContact O-N 3.35Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; R27-D31 PolarHBondContact O-N 3.42Å |
| 28 | E | 93.7 | Very high | 92.2 | Very high | 86 Ų | 86 | 89.5 Ų | 89.5 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 178.5 | -166.9 | -168.3 | 144.5 | 0 | 0 | 111.5 | H24 A25 D31 K32 | H24-E28 PolarHBondContact O-N 2.9Å; A25-E28 PolarHBondContact O-N 2.96Å; E28-D31 PolarHBondContact O-N 2.94Å; E28-K32 WeakPolarHBondContact O-CG 3.38Å; E28-K32 PolarHBondContact O-N 3.19Å; E28-K32 WeakPolarHBondContact OE1-CE 3.41Å; E28-K32 IonicContact OE1-NZ 2.69Å; E28-K32 PolarHBondContact OE1-NZ 3.04Å |
| 29 | R | 92.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 87.8 Ų | 87.8 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 173.6 | -172.7 | 176.7 | -177.5 | -85.9 | 0.7 | 111.3 | A25 Q26 R27 D31 K32 I33 D76 | A25-R29 PolarHBondContact O-N 3.13Å; Q26-R29 PolarHBondContact O-N 3.23Å; R27-R29 VanDerWaalsContact C-N 3.3Å; R27-R29 PolarHBondContact O-N 3.13Å; R29-D31 VanDerWaalsContact C-N 3.31Å; R29-D31 PolarHBondContact O-N 3.01Å; R29-K32 WeakPolarHBondContact O-CB 3.31Å; R29-K32 PolarHBondContact O-N 3.11Å; R29-I33 HydrophobicContact CG-CD1 4.17Å; R29-I33 WeakPolarHBondContact O-CG1 3.49Å; R29-I33 PolarHBondContact O-N 3.17Å; R29-D76 IonicContact CZ-OD1 2.93Å; R29-D76 IonicContact NE-OD1 3.58Å; R29-D76 IonicContact NH2-OD1 3.65Å; R29-D76 PolarHBondContact NH2-OD1 2.86Å; R29-D76 IonicContact NH2-OD2 2.68Å; R29-D76 PolarHBondContact NH2-OD2 2.7Å |
| 30 | Q | 93.7 | Very high | 93.1 | Very high | 89 Ų | 89 | 83.9 Ų | 83.9 | 42% | 0.416 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 178 | -70.7 | -74.3 | 51.9 | 0 | 0 | 112.8 | Q26 R27 I33 S34 | Q26-Q30 VanDerWaalsContact O-CG 3.31Å; Q26-Q30 WeakPolarHBondContact O-CG 3.2Å; Q26-Q30 PolarHBondContact O-N 3.4Å; R27-Q30 PolarHBondContact O-N 3.35Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; Q30-I33 WeakPolarHBondContact O-CB 3.5Å; Q30-I33 PolarHBondContact O-N 3.33Å; Q30-S34 WeakPolarHBondContact O-CB 3.4Å; Q30-S34 PolarHBondContact O-N 3.25Å; Q30-S34 PolarHBondContact O-OG 3.36Å |
| 31 | D | 95 | Very high | 93.5 | Very high | 82 Ų | 82 | 81 Ų | 81 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175.5 | -72.2 | -17.7 | 0 | 0 | 0 | 111.5 | R27 E28 R29 S34 K35 | R27-D31 PolarHBondContact O-N 3.42Å; E28-D31 PolarHBondContact O-N 2.94Å; R29-D31 VanDerWaalsContact C-N 3.31Å; R29-D31 PolarHBondContact O-N 3.01Å; D31-S34 PolarHBondContact O-N 2.87Å; D31-K35 WeakPolarHBondContact O-CG 3.39Å; D31-K35 PolarHBondContact O-N 3.08Å |
| 32 | K | 94.8 | Very high | 93.8 | Very high | 96 Ų | 96 | 82.6 Ų | 82.6 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.3 | -71.1 | 172.1 | -173.7 | 167.9 | 0 | 111.3 | E28 R29 S34 K35 L36 L75 | E28-K32 WeakPolarHBondContact O-CG 3.38Å; E28-K32 PolarHBondContact O-N 3.19Å; E28-K32 WeakPolarHBondContact OE1-CE 3.41Å; E28-K32 IonicContact OE1-NZ 2.69Å; E28-K32 PolarHBondContact OE1-NZ 3.04Å; R29-K32 WeakPolarHBondContact O-CB 3.31Å; R29-K32 PolarHBondContact O-N 3.11Å; K32-S34 VanDerWaalsContact C-N 3.34Å; K32-S34 PolarHBondContact O-N 3.02Å; K32-K35 PolarHBondContact O-N 3.24Å; K32-L36 PolarHBondContact O-N 3.07Å; K32-L75 HydrophobicContact CB-CD1 4.19Å; K32-L75 HydrophobicContact CB-CD2 4.1Å |
| 33 | I | 95 | Very high | 94.1 | Very high | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 174.4 | -69.5 | 167.6 | 0 | 0 | 0 | 110.2 | R29 Q30 K35 L36 M37 T57 V70 A71 L75 | R29-I33 HydrophobicContact CG-CD1 4.17Å; R29-I33 WeakPolarHBondContact O-CG1 3.49Å; R29-I33 PolarHBondContact O-N 3.17Å; Q30-I33 WeakPolarHBondContact O-CB 3.5Å; Q30-I33 PolarHBondContact O-N 3.33Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.3Å; I33-L36 PolarHBondContact O-N 2.91Å; I33-M37 HydrophobicContact CG2-CE 4.28Å; I33-M37 HydrophobicContact CG2-CG 4.15Å; I33-M37 HydrophobicContact CG2-SD 4.22Å; I33-M37 WeakPolarHBondContact O-CB 3.35Å; I33-M37 WeakPolarHBondContact O-CG 3.39Å; I33-M37 PolarHBondContact O-N 3.43Å; I33-T57 HydrophobicContact CG2-CG2 3.54Å; I33-V70 HydrophobicContact CG2-CG2 4.15Å; I33-A71 HydrophobicContact CD1-CB 3.75Å; I33-A71 HydrophobicContact CG1-CB 3.92Å; I33-L75 HydrophobicContact CB-CD1 4.36Å; I33-L75 HydrophobicContact CD1-CD1 4.23Å; I33-L75 HydrophobicContact CG1-CD1 3.29Å |
| 34 | S | 94.3 | Very high | 94.4 | Very high | 63 Ų | 63 | 81.5 Ų | 81.5 | 44% | 0.441 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | -178.4 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | Q30 D31 K32 G38 | Q30-S34 WeakPolarHBondContact O-CB 3.4Å; Q30-S34 PolarHBondContact O-N 3.25Å; Q30-S34 PolarHBondContact O-OG 3.36Å; D31-S34 PolarHBondContact O-N 2.87Å; K32-S34 VanDerWaalsContact C-N 3.34Å; K32-S34 PolarHBondContact O-N 3.02Å; S34-G38 PolarHBondContact O-N 3.5Å |
| 35 | K | 96.1 | Very high | 94.7 | Very high | 159 Ų | 159 | 77.8 Ų | 77.8 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 174.3 | -73.2 | 171 | -176.8 | 173.4 | 0 | 111.9 | D31 K32 I33 G38 A39 | D31-K35 WeakPolarHBondContact O-CG 3.39Å; D31-K35 PolarHBondContact O-N 3.08Å; K32-K35 PolarHBondContact O-N 3.24Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.3Å; K35-G38 PolarHBondContact O-N 3.31Å; K35-A39 PolarHBondContact O-N 3.09Å; K35-A39 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 95.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 81 Ų | 81 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 178.4 | -78.2 | 170.4 | 0 | 0 | 0 | 112.2 | K32 I33 G38 A39 Y40 V70 E74 L75 | K32-L36 PolarHBondContact O-N 3.07Å; I33-L36 PolarHBondContact O-N 2.91Å; L36-G38 VanDerWaalsContact C-N 3.3Å; L36-G38 PolarHBondContact O-N 3.45Å; L36-A39 PolarHBondContact O-N 3.23Å; L36-A39 VanDerWaalsContact O-N 3.14Å; L36-Y40 WeakPolarHBondContact O-CD2 3.47Å; L36-Y40 PolarHBondContact O-N 2.96Å; L36-V70 HydrophobicContact CB-CB 4.46Å; L36-E74 HydrophobicContact CD1-CB 3.87Å; L36-L75 HydrophobicContact CD1-CD1 4.23Å; L36-L75 HydrophobicContact CD1-CD2 3.83Å; L36-L75 HydrophobicContact CD1-CG 3.86Å |
| 37 | M | 95.8 | Very high | 95.4 | Very high | 34 Ų | 34 | 80 Ų | 80 | 17% | 0.167 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -53.8 | -50.1 | 174.1 | -74 | -164.8 | -54.6 | 0 | 0 | 110.4 | I33 A39 Y40 L41 T57 L60 V70 | I33-M37 HydrophobicContact CG2-CE 4.28Å; I33-M37 HydrophobicContact CG2-CG 4.15Å; I33-M37 HydrophobicContact CG2-SD 4.22Å; I33-M37 WeakPolarHBondContact O-CB 3.35Å; I33-M37 WeakPolarHBondContact O-CG 3.39Å; I33-M37 PolarHBondContact O-N 3.43Å; M37-A39 VanDerWaalsContact C-N 3.33Å; M37-A39 PolarHBondContact O-N 3.24Å; M37-Y40 PolarHBondContact O-N 2.98Å; M37-Y40 VanDerWaalsContact O-N 3.16Å; M37-L41 WeakPolarHBondContact O-CG 3.49Å; M37-L41 PolarHBondContact O-N 3.42Å; M37-T57 HydrophobicContact SD-CG2 4.37Å; M37-L60 HydrophobicContact CG-CD1 4.19Å; M37-L60 HydrophobicContact SD-CD1 4.45Å; M37-V70 HydrophobicContact CG-CG2 3.48Å; M37-V70 VanDerWaalsContact CG-CG2 3.48Å |
| 38 | G | 96.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 73 Ų | 73 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S34 K35 L36 Y40 L41 L42 | S34-G38 PolarHBondContact O-N 3.5Å; K35-G38 PolarHBondContact O-N 3.31Å; L36-G38 VanDerWaalsContact C-N 3.3Å; L36-G38 PolarHBondContact O-N 3.45Å; G38-Y40 PolarHBondContact O-N 2.93Å; G38-L41 PolarHBondContact O-N 3.18Å; G38-L42 WeakPolarHBondContact O-CG 3.5Å; G38-L42 PolarHBondContact O-N 2.99Å; G38-L42 VanDerWaalsContact O-N 3.11Å |
| 39 | A | 96.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 73.2 Ų | 73.2 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K35 L36 M37 L42 K43 | K35-A39 PolarHBondContact O-N 3.09Å; K35-A39 VanDerWaalsContact O-N 3.08Å; L36-A39 PolarHBondContact O-N 3.23Å; L36-A39 VanDerWaalsContact O-N 3.14Å; M37-A39 VanDerWaalsContact C-N 3.33Å; M37-A39 PolarHBondContact O-N 3.24Å; A39-L42 PolarHBondContact O-N 3.23Å; A39-K43 WeakPolarHBondContact O-CG 3.36Å; A39-K43 PolarHBondContact O-N 2.76Å |
| 40 | Y | 96.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 74.9 Ų | 74.9 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 178 | -85.2 | -75.3 | 0 | 0 | 0 | 112.9 | L36 M37 G38 L42 K43 G44 Y45 Y68 V70 E74 | L36-Y40 WeakPolarHBondContact O-CD2 3.47Å; L36-Y40 PolarHBondContact O-N 2.96Å; M37-Y40 PolarHBondContact O-N 2.98Å; M37-Y40 VanDerWaalsContact O-N 3.16Å; G38-Y40 PolarHBondContact O-N 2.93Å; Y40-L42 VanDerWaalsContact C-N 3.31Å; Y40-L42 PolarHBondContact O-N 3.47Å; Y40-K43 HydrophobicContact CD1-CD 4.04Å; Y40-K43 HydrophobicContact CE1-CD 4.27Å; Y40-K43 WeakPolarHBondContact O-CB 3.2Å; Y40-K43 PolarHBondContact O-N 2.78Å; Y40-K43 VanDerWaalsContact O-N 3.1Å; Y40-G44 PolarHBondContact O-N 3.19Å; Y40-Y45 HydrophobicContact CD1-CD1 4.01Å; Y40-Y45 AromaticContact CD1-CD2 3.89Å; Y40-Y45 HydrophobicContact CD1-CD2 3.89Å; Y40-Y45 AromaticContact CD1-CE1 3.81Å; Y40-Y45 HydrophobicContact CD1-CE1 3.81Å; Y40-Y45 AromaticContact CD1-CE2 3.75Å; Y40-Y45 HydrophobicContact CD1-CE2 3.75Å; Y40-Y45 HydrophobicContact CD1-CG 4.06Å; Y40-Y45 AromaticContact CD1-CZ 3.71Å; Y40-Y45 HydrophobicContact CE1-CE1 4.17Å; Y40-Y45 HydrophobicContact CE1-CE2 4.26Å; Y40-Y45 AromaticContact CE1-CZ 3.92Å; Y40-Y45 VanDerWaalsContact O-CB 3.31Å; Y40-Y45 WeakPolarHBondContact O-CB 3.47Å; Y40-Y45 WeakPolarHBondContact O-CD2 3.36Å; Y40-Y45 PolarHBondContact O-N 3.37Å; Y40-Y45 VanDerWaalsContact O-N 3.11Å; Y40-Y68 HydrophobicContact CE1-CE1 4.27Å; Y40-Y68 HydrophobicContact CE2-CE1 4.16Å; Y40-Y68 PolarHBondContact OH-OH 3.23Å; Y40-V70 HydrophobicContact CD2-CG1 3.62Å; Y40-V70 HydrophobicContact CE2-CG1 4.14Å; Y40-V70 HydrophobicContact CG-CG1 4.23Å; Y40-E74 HydrophobicContact CE2-CG 4.26Å; Y40-E74 PolarHBondContact OH-OE1 3.41Å |
| 41 | L | 96 | Very high | 96 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 172.8 | -66.2 | 175.4 | 0 | 0 | 0 | 111.5 | M37 G38 K43 G44 Y45 M47 L60 | M37-L41 WeakPolarHBondContact O-CG 3.49Å; M37-L41 PolarHBondContact O-N 3.42Å; G38-L41 PolarHBondContact O-N 3.18Å; L41-K43 VanDerWaalsContact C-N 3.27Å; L41-K43 PolarHBondContact O-N 3.25Å; L41-G44 WeakPolarHBondContact O-CA 3.28Å; L41-G44 PolarHBondContact O-N 3.17Å; L41-Y45 WeakPolarHBondContact CD2-O 3.46Å; L41-M47 HydrophobicContact CD2-CB 4.01Å; L41-L60 HydrophobicContact CD2-CD2 4.21Å; L41-L60 HydrophobicContact CG-CD2 4.43Å |
| 42 | L | 96.3 | Very high | 96 | Very high | 162 Ų | 162 | 71.2 Ų | 71.2 | 85% | 0.848 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.5 | -28 | 174.6 | -66.6 | 174 | 0 | 0 | 0 | 113 | G38 A39 Y40 G44 | G38-L42 WeakPolarHBondContact O-CG 3.5Å; G38-L42 PolarHBondContact O-N 2.99Å; G38-L42 VanDerWaalsContact O-N 3.11Å; A39-L42 PolarHBondContact O-N 3.23Å; Y40-L42 VanDerWaalsContact C-N 3.31Å; Y40-L42 PolarHBondContact O-N 3.47Å; L42-G44 PolarHBondContact O-N 3.47Å |
| 43 | K | 95.6 | Very high | 96 | Very high | 120 Ų | 120 | 75.8 Ų | 75.8 | 52% | 0.522 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.5 | 171.1 | -68.6 | 172.3 | -175.6 | 175.4 | 0 | 113.2 | A39 Y40 L41 Y45 K63 | A39-K43 WeakPolarHBondContact O-CG 3.36Å; A39-K43 PolarHBondContact O-N 2.76Å; Y40-K43 HydrophobicContact CD1-CD 4.04Å; Y40-K43 HydrophobicContact CE1-CD 4.27Å; Y40-K43 WeakPolarHBondContact O-CB 3.2Å; Y40-K43 PolarHBondContact O-N 2.78Å; Y40-K43 VanDerWaalsContact O-N 3.1Å; L41-K43 VanDerWaalsContact C-N 3.27Å; L41-K43 PolarHBondContact O-N 3.25Å; K43-Y45 HydrophobicContact CB-CD2 3.97Å; K43-Y45 HydrophobicContact CB-CE2 4.13Å; K43-K63 WeakPolarHBondContact O-CE 3.47Å |
| 44 | G | 95.6 | Very high | 95.8 | Very high | 45 Ų | 45 | 83.5 Ų | 83.5 | 46% | 0.464 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 20.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y40 L41 L42 | Y40-G44 PolarHBondContact O-N 3.19Å; L41-G44 WeakPolarHBondContact O-CA 3.28Å; L41-G44 PolarHBondContact O-N 3.17Å; L42-G44 PolarHBondContact O-N 3.47Å |
| 45 | Y | 97.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 82.5 Ų | 82.5 | 18% | 0.18 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 150.9 | 170.2 | -72.8 | -124.5 | 0 | 0 | 0 | 109.3 | Y40 L41 K43 L60 Q61 D62 Y68 | Y40-Y45 HydrophobicContact CD1-CD1 4.01Å; Y40-Y45 AromaticContact CD1-CD2 3.89Å; Y40-Y45 HydrophobicContact CD1-CD2 3.89Å; Y40-Y45 AromaticContact CD1-CE1 3.81Å; Y40-Y45 HydrophobicContact CD1-CE1 3.81Å; Y40-Y45 AromaticContact CD1-CE2 3.75Å; Y40-Y45 HydrophobicContact CD1-CE2 3.75Å; Y40-Y45 HydrophobicContact CD1-CG 4.06Å; Y40-Y45 AromaticContact CD1-CZ 3.71Å; Y40-Y45 HydrophobicContact CE1-CE1 4.17Å; Y40-Y45 HydrophobicContact CE1-CE2 4.26Å; Y40-Y45 AromaticContact CE1-CZ 3.92Å; Y40-Y45 VanDerWaalsContact O-CB 3.31Å; Y40-Y45 WeakPolarHBondContact O-CB 3.47Å; Y40-Y45 WeakPolarHBondContact O-CD2 3.36Å; Y40-Y45 PolarHBondContact O-N 3.37Å; Y40-Y45 VanDerWaalsContact O-N 3.11Å; L41-Y45 WeakPolarHBondContact CD2-O 3.46Å; K43-Y45 HydrophobicContact CB-CD2 3.97Å; K43-Y45 HydrophobicContact CB-CE2 4.13Å; Y45-L60 HydrophobicContact CD1-CB 4.39Å; Y45-Q61 WeakPolarHBondContact CA-O 3.36Å; Y45-D62 HydrophobicContact CD1-CB 4.02Å; Y45-D62 HydrophobicContact CE1-CB 3.56Å; Y45-D62 WeakPolarHBondContact CE2-OD1 3.38Å; Y45-D62 VanDerWaalsContact CZ-CG 3.46Å; Y45-D62 PolarHBondContact OH-OD1 3.47Å; Y45-Y68 HydrophobicContact CE1-CD1 4.46Å |
| 46 | K | 97.1 | Very high | 95.5 | Very high | 124 Ų | 124 | 77.2 Ų | 77.2 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.6 | -179.8 | 178.1 | -177.4 | 175.6 | -173.6 | 0 | 110.3 | L60 Q61 | K46-L60 CarbonylContact O-C 3.47Å; K46-L60 WeakPolarHBondContact O-CA 3.32Å; K46-Q61 HydrophobicContact CB-CB 4.33Å; K46-Q61 PolarHBondContact N-O 2.95Å; K46-Q61 PolarHBondContact O-N 3.31Å |
| 47 | M | 96.7 | Very high | 95.5 | Very high | 102 Ų | 102 | 75.4 Ų | 75.4 | 50% | 0.502 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 132.4 | 170.6 | -158.5 | 167 | 71.5 | 0 | 0 | 110.4 | L41 I58 | L41-M47 HydrophobicContact CD2-CB 4.01Å; M47-I58 HydrophobicContact CG-CG2 3.65Å; M47-I58 HydrophobicContact SD-CG2 4.38Å |
| 48 | L | 96.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 76.8 Ų | 76.8 | 15% | 0.152 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 164.8 | 176.3 | -57.9 | -179.2 | 0 | 0 | 0 | 110.9 | I58 L59 Q61 N67 | L48-I58 WeakPolarHBondContact O-CG2 3.27Å; L48-L59 HydrophobicContact CB-CB 4.46Å; L48-L59 WeakPolarHBondContact CB-O 3.46Å; L48-L59 HydrophobicContact CD1-CB 4.11Å; L48-L59 PolarHBondContact N-O 3.28Å; L48-Q61 HydrophobicContact CD1-CB 4.1Å; L48-Q61 HydrophobicContact CD2-CB 3.85Å; L48-Q61 HydrophobicContact CG-CB 4.05Å; L48-N67 WeakPolarHBondContact CD1-OD1 3.38Å |
| 49 | G | 96.3 | Very high | 95.6 | Very high | 90 Ų | 90 | 76.3 Ų | 76.3 | 93% | 0.928 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 13.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 50 | E | 96.2 | Very high | 95.6 | Very high | 114 Ų | 114 | 74.3 Ų | 74.3 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.4 | -177.3 | -67.8 | 169.3 | -157.2 | 0 | 0 | 109.6 | L59 | E50-L59 HydrophobicContact CB-CD1 4.28Å; E50-L59 PolarHBondContact O-N 3.47Å |
| 51 | C | 96.7 | Very high | 95.7 | Very high | 76 Ų | 76 | 74.6 Ų | 74.6 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 151 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 52 | C | 95.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 73 Ų | 73 | 12% | 0.122 | 41% | 0.409 | C | S | . | . | trans | -68.5 | 131 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Q54 G56 T57 L59 C69 | C52-Q54 PolarHBondContact O-N 3.47Å; C52-G56 VanDerWaalsContact O-CA 3.26Å; C52-G56 WeakPolarHBondContact O-CA 3.26Å; C52-G56 PolarHBondContact O-N 3.35Å; C52-T57 WeakPolarHBondContact CB-O 3.45Å; C52-T57 PolarHBondContact N-O 3.19Å; C52-L59 HydrophobicContact CB-CD2 3.82Å; C52-L59 HydrophobicContact CB-CG 4.35Å; C52-C69 HydrophobicContact CB-CB 4.13Å | ||
| 53 | E | 94.1 | Very high | 95.5 | Very high | 192 Ų | 192 | 72.8 Ų | 72.8 | 90% | 0.897 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.1 | -179.7 | -61 | 179.5 | 172.5 | 0 | 0 | 113.6 | ||
| 54 | Q | 91.6 | Very high | 95.4 | Very high | 164 Ų | 164 | 74.9 Ų | 74.9 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -41.9 | -177.2 | -60.7 | -62.7 | -17 | 0 | 0 | 113.2 | C52 | C52-Q54 PolarHBondContact O-N 3.47Š|
| 55 | C | 91.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 79.3 Ų | 79.3 | 28% | 0.277 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 0.1 | -170.8 | 70 | 0 | 0 | 0 | 0 | 114.3 | T57 C69 C72 | C55-T57 PolarHBondContact O-N 3.24Å; C55-T57 VanDerWaalsContact O-N 3.14Å; C55-T57 PolarHBondContact SG-OG1 2.93Å; C55-C69 VanDerWaalsContact SG-SG 3.62Å; C55-C72 PolarHBondContact SG-SG 2.95Å |
| 56 | G | 92.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 84.1 Ų | 84.1 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | trans | 70.2 | 2.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C52 | C52-G56 VanDerWaalsContact O-CA 3.26Å; C52-G56 WeakPolarHBondContact O-CA 3.26Å; C52-G56 PolarHBondContact O-N 3.35Å | ||
| 57 | T | 95.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 81.6 Ų | 81.6 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -75 | 141 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | I33 M37 C52 C55 L59 V70 A71 | I33-T57 HydrophobicContact CG2-CG2 3.54Å; M37-T57 HydrophobicContact SD-CG2 4.37Å; C52-T57 WeakPolarHBondContact CB-O 3.45Å; C52-T57 PolarHBondContact N-O 3.19Å; C55-T57 PolarHBondContact O-N 3.24Å; C55-T57 VanDerWaalsContact O-N 3.14Å; C55-T57 PolarHBondContact SG-OG1 2.93Å; T57-L59 PolarHBondContact O-N 2.98Å; T57-V70 HydrophobicContact CG2-CG2 4.31Å; T57-A71 HydrophobicContact CG2-CB 4.17Å |
| 58 | I | 96.5 | Very high | 95.1 | Very high | 62 Ų | 62 | 78.3 Ų | 78.3 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 134.2 | 178.2 | -61 | 164 | 0 | 0 | 0 | 110.8 | M47 L48 | M47-I58 HydrophobicContact CG-CG2 3.65Å; M47-I58 HydrophobicContact SD-CG2 4.38Å; L48-I58 WeakPolarHBondContact O-CG2 3.27Å |
| 59 | L | 97 | Very high | 95 | Very high | 21 Ų | 21 | 77.5 Ų | 77.5 | 11% | 0.11 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 142.7 | 177.8 | -68.5 | 173.8 | 0 | 0 | 0 | 111.5 | L48 E50 C52 T57 N67 C69 | L48-L59 HydrophobicContact CB-CB 4.46Å; L48-L59 WeakPolarHBondContact CB-O 3.46Å; L48-L59 HydrophobicContact CD1-CB 4.11Å; L48-L59 PolarHBondContact N-O 3.28Å; E50-L59 HydrophobicContact CB-CD1 4.28Å; E50-L59 PolarHBondContact O-N 3.47Å; C52-L59 HydrophobicContact CB-CD2 3.82Å; C52-L59 HydrophobicContact CB-CG 4.35Å; T57-L59 PolarHBondContact O-N 2.98Å; L59-N67 HydrophobicContact CD1-CB 4.44Å; L59-C69 HydrophobicContact CD2-CB 3.75Å |
| 60 | L | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 151 | 170.6 | -75.4 | 73.8 | 0 | 0 | 0 | 109.1 | M37 L41 Y45 K46 N67 Y68 V70 | M37-L60 HydrophobicContact CG-CD1 4.19Å; M37-L60 HydrophobicContact SD-CD1 4.45Å; L41-L60 HydrophobicContact CD2-CD2 4.21Å; L41-L60 HydrophobicContact CG-CD2 4.43Å; Y45-L60 HydrophobicContact CD1-CB 4.39Å; K46-L60 CarbonylContact O-C 3.47Å; K46-L60 WeakPolarHBondContact O-CA 3.32Å; L60-N67 CarbonylContact O-C 3.55Å; L60-Y68 PolarHBondContact N-O 3.4Å; L60-Y68 WeakPolarHBondContact O-CA 3.32Å; L60-Y68 WeakPolarHBondContact O-CB 3.35Å; L60-Y68 PolarHBondContact O-N 2.99Å; L60-V70 HydrophobicContact CD1-CG1 4.13Å; L60-V70 HydrophobicContact CD2-CG1 4.14Å |
| 61 | Q | 97.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.7 | 175.9 | -179.2 | 172.2 | 80.9 | 0 | 0 | 109.7 | Y45 K46 L48 K65 K66 | Y45-Q61 WeakPolarHBondContact CA-O 3.36Å; K46-Q61 HydrophobicContact CB-CB 4.33Å; K46-Q61 PolarHBondContact N-O 2.95Å; K46-Q61 PolarHBondContact O-N 3.31Å; L48-Q61 HydrophobicContact CD1-CB 4.1Å; L48-Q61 HydrophobicContact CD2-CB 3.85Å; L48-Q61 HydrophobicContact CG-CB 4.05Å; Q61-K65 HydrophobicContact CG-CD 4.29Å; Q61-K65 PolarHBondContact NE2-O 3.05Å; Q61-K65 VanDerWaalsContact OE1-CD 3.26Å; Q61-K66 WeakPolarHBondContact CA-O 3.33Å |
| 62 | D | 95.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | trans | -73.6 | 170.3 | 174.9 | -167.8 | 12.6 | 0 | 0 | 0 | 111.1 | Y45 Q64 K65 K66 | Y45-D62 HydrophobicContact CD1-CB 4.02Å; Y45-D62 HydrophobicContact CE1-CB 3.56Å; Y45-D62 WeakPolarHBondContact CE2-OD1 3.38Å; Y45-D62 VanDerWaalsContact CZ-CG 3.46Å; Y45-D62 PolarHBondContact OH-OD1 3.47Å; D62-Q64 PolarHBondContact O-N 2.92Å; D62-Q64 VanDerWaalsContact O-N 3.1Å; D62-K65 PolarHBondContact O-N 3.26Å; D62-K66 PolarHBondContact N-O 3.31Å | ||
| 63 | K | 92.6 | Very high | 94.3 | Very high | 157 Ų | 157 | 70.6 Ų | 70.6 | 68% | 0.683 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.4 | 175.6 | -61.8 | -178.4 | -179.6 | 179.3 | 0 | 112.6 | K43 K65 | K43-K63 WeakPolarHBondContact O-CE 3.47Å; K63-K65 VanDerWaalsContact C-N 3.26Å; K63-K65 PolarHBondContact O-N 2.92Å |
| 64 | Q | 94.3 | Very high | 94 | Very high | 164 Ų | 164 | 65 Ų | 65 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 11.1 | 176.1 | -57.2 | -176.6 | 13.6 | 0 | 0 | 114 | D62 K66 | D62-Q64 PolarHBondContact O-N 2.92Å; D62-Q64 VanDerWaalsContact O-N 3.1Å; Q64-K66 PolarHBondContact O-N 3.13Å |
| 65 | K | 93.7 | Very high | 93.6 | Very high | 138 Ų | 138 | 58.8 Ų | 58.8 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 63.9 | 14.8 | -178.8 | -57.1 | -61 | -171.3 | -177.1 | 0 | 115.6 | Q61 D62 K63 | Q61-K65 HydrophobicContact CG-CD 4.29Å; Q61-K65 PolarHBondContact NE2-O 3.05Å; Q61-K65 VanDerWaalsContact OE1-CD 3.26Å; D62-K65 PolarHBondContact O-N 3.26Å; K63-K65 VanDerWaalsContact C-N 3.26Å; K63-K65 PolarHBondContact O-N 2.92Å |
| 66 | K | 95.6 | Very high | 92.7 | Very high | 146 Ų | 146 | 58.6 Ų | 58.6 | 64% | 0.635 | 29% | 0.292 | S | S | * | . | trans | -82.2 | 134 | 173.6 | -172.6 | -176.5 | 175.1 | -172.6 | 0 | 110.9 | Q61 D62 Q64 | Q61-K66 WeakPolarHBondContact CA-O 3.33Å; D62-K66 PolarHBondContact N-O 3.31Å; Q64-K66 PolarHBondContact O-N 3.13Å | ||
| 67 | N | 95.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.8 | 172.2 | -66.4 | 2.1 | 0 | 0 | 0 | 110.2 | L48 L59 L60 | L48-N67 WeakPolarHBondContact CD1-OD1 3.38Å; L59-N67 HydrophobicContact CD1-CB 4.44Å; L60-N67 CarbonylContact O-C 3.55Å |
| 68 | Y | 95.8 | Very high | 89.5 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 13% | 0.129 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 127.8 | -169.4 | -179.1 | -95.2 | 0 | 0 | 0 | 110.2 | Y40 Y45 L60 V70 Q73 E74 | Y40-Y68 HydrophobicContact CE1-CE1 4.27Å; Y40-Y68 HydrophobicContact CE2-CE1 4.16Å; Y40-Y68 PolarHBondContact OH-OH 3.23Å; Y45-Y68 HydrophobicContact CE1-CD1 4.46Å; L60-Y68 PolarHBondContact N-O 3.4Å; L60-Y68 WeakPolarHBondContact O-CA 3.32Å; L60-Y68 WeakPolarHBondContact O-CB 3.35Å; L60-Y68 PolarHBondContact O-N 2.99Å; Y68-V70 HydrophobicContact CD1-CG1 4.09Å; Y68-V70 HydrophobicContact CE1-CB 4.43Å; Y68-V70 HydrophobicContact CE1-CG1 3.8Å; Y68-Q73 HydrophobicContact CE2-CB 3.81Å; Y68-Q73 HydrophobicContact CE2-CG 3.62Å; Y68-Q73 WeakPolarHBondContact OH-CB 3.48Å; Y68-E74 WeakPolarHBondContact OH-CG 3.39Å; Y68-E74 PolarHBondContact OH-OE1 3.34Å |
| 69 | C | 95.4 | Very high | 87.8 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | trans | -103.5 | 116 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | C52 C55 L59 A71 C72 Q73 | C52-C69 HydrophobicContact CB-CB 4.13Å; C55-C69 VanDerWaalsContact SG-SG 3.62Å; L59-C69 HydrophobicContact CD2-CB 3.75Å; C69-A71 VanDerWaalsContact C-N 3.29Å; C69-A71 PolarHBondContact O-N 2.68Å; C69-C72 HydrophobicContact CB-CB 4.26Å; C69-C72 VanDerWaalsContact SG-SG 3.68Å; C69-Q73 WeakPolarHBondContact O-CB 3.34Å; C69-Q73 PolarHBondContact O-N 2.89Å | ||
| 70 | V | 94.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.2 | -30.5 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | I33 L36 M37 Y40 T57 L60 Y68 E74 | I33-V70 HydrophobicContact CG2-CG2 4.15Å; L36-V70 HydrophobicContact CB-CB 4.46Å; M37-V70 HydrophobicContact CG-CG2 3.48Å; M37-V70 VanDerWaalsContact CG-CG2 3.48Å; Y40-V70 HydrophobicContact CD2-CG1 3.62Å; Y40-V70 HydrophobicContact CE2-CG1 4.14Å; Y40-V70 HydrophobicContact CG-CG1 4.23Å; T57-V70 HydrophobicContact CG2-CG2 4.31Å; L60-V70 HydrophobicContact CD1-CG1 4.13Å; L60-V70 HydrophobicContact CD2-CG1 4.14Å; Y68-V70 HydrophobicContact CD1-CG1 4.09Å; Y68-V70 HydrophobicContact CE1-CB 4.43Å; Y68-V70 HydrophobicContact CE1-CG1 3.8Å; V70-E74 WeakPolarHBondContact O-CB 3.48Å; V70-E74 PolarHBondContact O-N 2.85Å |
| 71 | A | 93.6 | Very high | 84 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.1 | -53.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I33 T57 C69 Q73 L75 D76 | I33-A71 HydrophobicContact CD1-CB 3.75Å; I33-A71 HydrophobicContact CG1-CB 3.92Å; T57-A71 HydrophobicContact CG2-CB 4.17Å; C69-A71 VanDerWaalsContact C-N 3.29Å; C69-A71 PolarHBondContact O-N 2.68Å; A71-Q73 PolarHBondContact O-N 3.43Å; A71-L75 WeakPolarHBondContact O-CB 3.2Å; A71-L75 PolarHBondContact O-N 3.42Å; A71-D76 PolarHBondContact O-N 3.43Å |
| 72 | C | 91.8 | Very high | 82.2 | Confident | 41 Ų | 41 | 78 Ų | 78 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | -177.7 | -56.6 | 0 | 0 | 0 | 0 | 113 | C55 C69 D76 | C55-C72 PolarHBondContact SG-SG 2.95Å; C69-C72 HydrophobicContact CB-CB 4.26Å; C69-C72 VanDerWaalsContact SG-SG 3.68Å; C72-D76 WeakPolarHBondContact CA-OD2 3.39Å |
| 73 | Q | 89.9 | Confident | 80.7 | Confident | 113 Ų | 113 | 79 Ų | 79 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -81.1 | -37.2 | -174.2 | -154.4 | 85.1 | 46.4 | 0 | 0 | 112.8 | Y68 C69 A71 S77 | Y68-Q73 HydrophobicContact CE2-CB 3.81Å; Y68-Q73 HydrophobicContact CE2-CG 3.62Å; Y68-Q73 WeakPolarHBondContact OH-CB 3.48Å; C69-Q73 WeakPolarHBondContact O-CB 3.34Å; C69-Q73 PolarHBondContact O-N 2.89Å; A71-Q73 PolarHBondContact O-N 3.43Å; Q73-S77 PolarHBondContact O-OG 3.43Å |
| 74 | E | 88.1 | Confident | 79.2 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -108.6 | -25.7 | -169.9 | -57.2 | -72.7 | 160.3 | 0 | 0 | 114 | L36 Y40 Y68 V70 | L36-E74 HydrophobicContact CD1-CB 3.87Å; Y40-E74 HydrophobicContact CE2-CG 4.26Å; Y40-E74 PolarHBondContact OH-OE1 3.41Å; Y68-E74 WeakPolarHBondContact OH-CG 3.39Å; Y68-E74 PolarHBondContact OH-OE1 3.34Å; V70-E74 WeakPolarHBondContact O-CB 3.48Å; V70-E74 PolarHBondContact O-N 2.85Å |
| 75 | L | 82.6 | Confident | 77.7 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -40.6 | -176 | -62.9 | 172.3 | 0 | 0 | 0 | 112.7 | K32 I33 L36 A71 | K32-L75 HydrophobicContact CB-CD1 4.19Å; K32-L75 HydrophobicContact CB-CD2 4.1Å; I33-L75 HydrophobicContact CB-CD1 4.36Å; I33-L75 HydrophobicContact CD1-CD1 4.23Å; I33-L75 HydrophobicContact CG1-CD1 3.29Å; L36-L75 HydrophobicContact CD1-CD1 4.23Å; L36-L75 HydrophobicContact CD1-CD2 3.83Å; L36-L75 HydrophobicContact CD1-CG 3.86Å; A71-L75 WeakPolarHBondContact O-CB 3.2Å; A71-L75 PolarHBondContact O-N 3.42Å |
| 76 | D | 71.8 | Confident | 76 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -76.7 | -25.1 | -176.2 | -63.1 | -32.7 | 0 | 0 | 0 | 112.4 | R29 A71 C72 D78 V79 D80 | R29-D76 IonicContact CZ-OD1 2.93Å; R29-D76 IonicContact NE-OD1 3.58Å; R29-D76 IonicContact NH2-OD1 3.65Å; R29-D76 PolarHBondContact NH2-OD1 2.86Å; R29-D76 IonicContact NH2-OD2 2.68Å; R29-D76 PolarHBondContact NH2-OD2 2.7Å; A71-D76 PolarHBondContact O-N 3.43Å; C72-D76 WeakPolarHBondContact CA-OD2 3.39Å; D76-D78 PolarHBondContact O-N 3.14Å; D76-V79 PolarHBondContact O-N 2.8Å; D76-D80 PolarHBondContact O-N 3.44Å |
| 77 | S | 61.4 | Low | 74.9 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -19.1 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | Q73 K81 | Q73-S77 PolarHBondContact O-OG 3.43Å; S77-K81 WeakPolarHBondContact O-CE 3.35Å |
| 78 | D | 59.9 | Low | 73.9 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -92.1 | -22.7 | 170.8 | -82 | -34.6 | 0 | 0 | 0 | 113.2 | D76 K81 | D76-D78 PolarHBondContact O-N 3.14Å; D78-K81 IonicContact OD1-NZ 2.87Å; D78-K81 PolarHBondContact OD1-NZ 3.41Å |
| 79 | V | 60.3 | Low | 73 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -86.1 | -31.3 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | D76 K81 D82 | D76-V79 PolarHBondContact O-N 2.8Å; V79-K81 PolarHBondContact O-N 3.04Å; V79-D82 PolarHBondContact O-N 3.27Å |
| 80 | D | 57.9 | Low | 72.1 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -64.4 | -24.2 | 179.2 | -74.8 | -41.3 | 0 | 0 | 0 | 113.6 | D76 D82 N83 | D76-D80 PolarHBondContact O-N 3.44Å; D80-D82 VanDerWaalsContact C-N 3.26Å; D80-D82 PolarHBondContact O-N 2.85Å; D80-N83 PolarHBondContact O-N 2.72Å |
| 81 | K | 57.4 | Low | 71.2 | Confident | 122 Ų | 122 | 72.1 Ų | 72.1 | 53% | 0.53 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -65.9 | -30 | -179.5 | -67.5 | 172.3 | -172.3 | 156.1 | 0 | 112.6 | S77 D78 V79 N87 | S77-K81 WeakPolarHBondContact O-CE 3.35Å; D78-K81 IonicContact OD1-NZ 2.87Å; D78-K81 PolarHBondContact OD1-NZ 3.41Å; V79-K81 PolarHBondContact O-N 3.04Å; K81-N87 PolarHBondContact O-ND2 3.33Å |
| 82 | D | 59.4 | Low | 70.7 | Confident | 123 Ų | 123 | 77.3 Ų | 77.3 | 66% | 0.658 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -99.6 | 4.5 | -175.9 | -64.4 | -50.3 | 0 | 0 | 0 | 113.2 | V79 D80 P84 | V79-D82 PolarHBondContact O-N 3.27Å; D80-D82 VanDerWaalsContact C-N 3.26Å; D80-D82 PolarHBondContact O-N 2.85Å; D82-P84 WeakPolarHBondContact O-CD 3.45Å |
| 83 | N | 63 | Low | 70.2 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 32% | 0.321 | 44% | 0.444 | S | S | . | . | trans | -80.4 | 109.2 | 177.8 | -169.3 | -13.8 | 0 | 0 | 0 | 111 | D80 A85 L86 N87 | D80-N83 PolarHBondContact O-N 2.72Å; N83-A85 PolarHBondContact O-N 3.05Å; N83-A85 VanDerWaalsContact O-N 3.15Å; N83-A85 WeakPolarHBondContact OD1-CB 3.48Å; N83-A85 PolarHBondContact OD1-N 3.18Å; N83-L86 HydrophobicContact CB-CB 4.38Å; N83-L86 HydrophobicContact CB-CD1 4.45Å; N83-L86 HydrophobicContact CB-CG 4.4Å; N83-L86 WeakPolarHBondContact ND2-CD1 3.44Å; N83-L86 PolarHBondContact O-N 3.26Å; N83-L86 VanDerWaalsContact O-N 3.13Å; N83-N87 PolarHBondContact O-N 2.69Å | ||
| 84 | P | 61.2 | Low | 69.9 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 29% | 0.286 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.6 | -179.6 | 31.8 | -40.5 | 0 | 0 | 0 | 113.1 | D82 A91 | D82-P84 WeakPolarHBondContact O-CD 3.45Å; P84-A91 HydrophobicContact CB-CB 4.25Å |
| 85 | A | 62.6 | Low | 69.7 | Low | 84 Ų | 84 | 76.1 Ų | 76.1 | 69% | 0.694 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -23.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N83 | N83-A85 PolarHBondContact O-N 3.05Å; N83-A85 VanDerWaalsContact O-N 3.15Å; N83-A85 WeakPolarHBondContact OD1-CB 3.48Å; N83-A85 PolarHBondContact OD1-N 3.18Å |
| 86 | L | 59.2 | Low | 69.8 | Low | 128 Ų | 128 | 82.5 Ų | 82.5 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -15.9 | -174.3 | -52.8 | -179.7 | 0 | 0 | 0 | 112.5 | N83 | N83-L86 HydrophobicContact CB-CB 4.38Å; N83-L86 HydrophobicContact CB-CD1 4.45Å; N83-L86 HydrophobicContact CB-CG 4.4Å; N83-L86 WeakPolarHBondContact ND2-CD1 3.44Å; N83-L86 PolarHBondContact O-N 3.26Å; N83-L86 VanDerWaalsContact O-N 3.13Å |
| 87 | N | 72.8 | Confident | 70.4 | Confident | 57 Ų | 57 | 86.6 Ų | 86.6 | 31% | 0.305 | 48% | 0.479 | S | S | . | . | trans | -127.8 | 113.7 | -179.8 | -178.1 | 16.1 | 0 | 0 | 0 | 111.9 | K81 N83 Q89 A90 A91 | K81-N87 PolarHBondContact O-ND2 3.33Å; N83-N87 PolarHBondContact O-N 2.69Å; N87-Q89 VanDerWaalsContact C-N 3.27Å; N87-Q89 PolarHBondContact O-N 3.41Å; N87-Q89 PolarHBondContact OD1-N 3.1Å; N87-A90 HydrophobicContact CB-CB 4.07Å; N87-A90 PolarHBondContact O-N 2.78Å; N87-A90 VanDerWaalsContact O-N 3.17Å; N87-A91 PolarHBondContact O-N 3.02Å; N87-A91 VanDerWaalsContact O-N 3.11Å | ||
| 88 | A | 74.5 | Confident | 71.5 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -33.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A91 L92 | A88-A91 PolarHBondContact O-N 2.89Å; A88-L92 WeakPolarHBondContact O-CG 3.26Å; A88-L92 PolarHBondContact O-N 2.87Å; A88-L92 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 76.7 | Confident | 72.7 | Confident | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.8 | -36.5 | 178.9 | -171.9 | 70 | -17.1 | 0 | 0 | 111.8 | N87 L92 S93 | N87-Q89 VanDerWaalsContact C-N 3.27Å; N87-Q89 PolarHBondContact O-N 3.41Å; N87-Q89 PolarHBondContact OD1-N 3.1Å; Q89-L92 PolarHBondContact O-N 3.13Å; Q89-S93 PolarHBondContact O-N 3.42Å; Q89-S93 VanDerWaalsContact O-N 3.13Å |
| 90 | A | 74.8 | Confident | 73.5 | Confident | 14 Ų | 14 | 94.2 Ų | 94.2 | 12% | 0.116 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N87 L92 S93 Q94 | N87-A90 HydrophobicContact CB-CB 4.07Å; N87-A90 PolarHBondContact O-N 2.78Å; N87-A90 VanDerWaalsContact O-N 3.17Å; A90-L92 PolarHBondContact O-N 3.01Å; A90-S93 PolarHBondContact O-N 3.11Å; A90-Q94 PolarHBondContact O-N 3.24Å |
| 91 | A | 77.8 | Confident | 74.4 | Confident | 33 Ų | 33 | 94.5 Ų | 94.5 | 27% | 0.273 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P84 N87 A88 S93 Q94 V95 | P84-A91 HydrophobicContact CB-CB 4.25Å; N87-A91 PolarHBondContact O-N 3.02Å; N87-A91 VanDerWaalsContact O-N 3.11Å; A88-A91 PolarHBondContact O-N 2.89Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 3.32Å; A91-Q94 PolarHBondContact O-N 3.33Å; A91-V95 WeakPolarHBondContact O-CG2 3.33Å; A91-V95 PolarHBondContact O-N 3.47Å; A91-V95 VanDerWaalsContact O-N 3.08Å |
| 92 | L | 81.8 | Confident | 74.9 | Confident | 108 Ų | 108 | 93 Ų | 93 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -37.2 | 177.5 | -67.8 | 174.5 | 0 | 0 | 0 | 112.3 | A88 Q89 A90 V95 R96 | A88-L92 WeakPolarHBondContact O-CG 3.26Å; A88-L92 PolarHBondContact O-N 2.87Å; A88-L92 VanDerWaalsContact O-N 3.12Å; Q89-L92 PolarHBondContact O-N 3.13Å; A90-L92 PolarHBondContact O-N 3.01Å; L92-V95 PolarHBondContact O-N 3.47Å; L92-R96 WeakPolarHBondContact O-CB 3.35Å; L92-R96 PolarHBondContact O-N 3.26Å |
| 93 | S | 81.8 | Confident | 74.5 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | Q89 A90 A91 V95 R96 E97 | Q89-S93 PolarHBondContact O-N 3.42Å; Q89-S93 VanDerWaalsContact O-N 3.13Å; A90-S93 PolarHBondContact O-N 3.11Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 3.32Å; S93-V95 PolarHBondContact O-N 2.9Å; S93-R96 WeakPolarHBondContact O-CB 3.21Å; S93-R96 PolarHBondContact O-N 3.36Å; S93-E97 PolarHBondContact O-N 2.86Å |
| 94 | Q | 83.3 | Confident | 73.9 | Confident | 70 Ų | 70 | 95.1 Ų | 95.1 | 33% | 0.327 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 177.8 | -75.5 | -172.1 | 6.8 | 0 | 0 | 112.9 | A90 A91 R96 E97 R98 | A90-Q94 PolarHBondContact O-N 3.24Å; A91-Q94 PolarHBondContact O-N 3.33Å; Q94-R96 VanDerWaalsContact C-N 3.34Å; Q94-E97 PolarHBondContact O-N 3.19Å; Q94-R98 WeakPolarHBondContact O-CB 3.4Å; Q94-R98 VanDerWaalsContact O-CG 3.27Å; Q94-R98 WeakPolarHBondContact O-CG 3.4Å; Q94-R98 PolarHBondContact O-N 2.99Å |
| 95 | V | 83.3 | Confident | 73.1 | Confident | 73 Ų | 73 | 99 Ų | 99 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | A91 L92 S93 R98 Q99 | A91-V95 WeakPolarHBondContact O-CG2 3.33Å; A91-V95 PolarHBondContact O-N 3.47Å; A91-V95 VanDerWaalsContact O-N 3.08Å; L92-V95 PolarHBondContact O-N 3.47Å; S93-V95 PolarHBondContact O-N 2.9Å; V95-R98 PolarHBondContact O-N 2.89Å; V95-Q99 HydrophobicContact CG1-CG 4.46Å; V95-Q99 VanDerWaalsContact O-CG 3.3Å; V95-Q99 WeakPolarHBondContact O-CG 3.31Å; V95-Q99 PolarHBondContact O-N 2.83Å |
| 96 | R | 85.7 | Confident | 72.3 | Confident | 167 Ų | 167 | 103.1 Ų | 103.1 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.4 | -46.8 | 176.5 | -179 | -174.1 | -67 | 172.5 | -0.9 | 111.9 | L92 S93 Q94 R98 Q99 L100 | L92-R96 WeakPolarHBondContact O-CB 3.35Å; L92-R96 PolarHBondContact O-N 3.26Å; S93-R96 WeakPolarHBondContact O-CB 3.21Å; S93-R96 PolarHBondContact O-N 3.36Å; Q94-R96 VanDerWaalsContact C-N 3.34Å; R96-R98 VanDerWaalsContact C-N 3.33Å; R96-R98 PolarHBondContact O-N 3.26Å; R96-Q99 PolarHBondContact O-N 3.37Å; R96-L100 HydrophobicContact CG-CD1 3.83Å; R96-L100 WeakPolarHBondContact O-CD1 3.25Å; R96-L100 WeakPolarHBondContact O-CG 3.5Å; R96-L100 PolarHBondContact O-N 2.87Å |
| 97 | E | 84.8 | Confident | 71.6 | Confident | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -41.5 | 176.9 | -78 | -175.9 | 130.8 | 0 | 0 | 111.7 | S93 Q94 Q99 L100 A101 | S93-E97 PolarHBondContact O-N 2.86Å; Q94-E97 PolarHBondContact O-N 3.19Å; E97-Q99 PolarHBondContact O-N 3.13Å; E97-L100 PolarHBondContact O-N 3.11Å; E97-A101 VanDerWaalsContact O-CB 3.31Å; E97-A101 WeakPolarHBondContact O-CB 3.18Å; E97-A101 PolarHBondContact O-N 2.92Å |
| 98 | R | 84.6 | Confident | 69.8 | Low | 175 Ų | 175 | 106 Ų | 106 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.3 | -39.3 | 174.6 | -74.2 | 175.7 | -178.7 | -176.8 | 2.6 | 112.4 | Q94 V95 R96 A101 S102 | Q94-R98 WeakPolarHBondContact O-CB 3.4Å; Q94-R98 VanDerWaalsContact O-CG 3.27Å; Q94-R98 WeakPolarHBondContact O-CG 3.4Å; Q94-R98 PolarHBondContact O-N 2.99Å; V95-R98 PolarHBondContact O-N 2.89Å; R96-R98 VanDerWaalsContact C-N 3.33Å; R96-R98 PolarHBondContact O-N 3.26Å; R98-A101 PolarHBondContact O-N 2.68Å; R98-S102 WeakPolarHBondContact O-CB 3.33Å; R98-S102 PolarHBondContact O-N 2.82Å; R98-S102 PolarHBondContact O-OG 3.44Å |
| 99 | Q | 84.6 | Confident | 68.4 | Low | 128 Ų | 128 | 109.3 Ų | 109.3 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.8 | -38.1 | 175.7 | -74.4 | 174.1 | 2.6 | 0 | 0 | 112.3 | V95 R96 E97 S102 Q103 | V95-Q99 HydrophobicContact CG1-CG 4.46Å; V95-Q99 VanDerWaalsContact O-CG 3.3Å; V95-Q99 WeakPolarHBondContact O-CG 3.31Å; V95-Q99 PolarHBondContact O-N 2.83Å; R96-Q99 PolarHBondContact O-N 3.37Å; E97-Q99 PolarHBondContact O-N 3.13Å; Q99-S102 WeakPolarHBondContact CA-OG 3.5Å; Q99-S102 PolarHBondContact O-OG 2.89Å; Q99-Q103 PolarHBondContact O-N 3.24Å |
| 100 | L | 77.6 | Confident | 66.3 | Low | 108 Ų | 108 | 112.1 Ų | 112.1 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.7 | -39.8 | 175.5 | -73.7 | 157.5 | 0 | 0 | 0 | 111.9 | R96 E97 Q103 | R96-L100 HydrophobicContact CG-CD1 3.83Å; R96-L100 WeakPolarHBondContact O-CD1 3.25Å; R96-L100 WeakPolarHBondContact O-CG 3.5Å; R96-L100 PolarHBondContact O-N 2.87Å; E97-L100 PolarHBondContact O-N 3.11Å; L100-Q103 WeakPolarHBondContact O-CB 3.43Å; L100-Q103 PolarHBondContact O-N 3.45Å |
| 101 | A | 76.1 | Confident | 64.6 | Low | 90 Ų | 90 | 115.6 Ų | 115.6 | 74% | 0.744 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.3 | -25.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E97 R98 | E97-A101 VanDerWaalsContact O-CB 3.31Å; E97-A101 WeakPolarHBondContact O-CB 3.18Å; E97-A101 PolarHBondContact O-N 2.92Å; R98-A101 PolarHBondContact O-N 2.68Å |
| 102 | S | 66.6 | Low | 63.5 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 0 | 174.3 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | R98 Q99 P104 | R98-S102 WeakPolarHBondContact O-CB 3.33Å; R98-S102 PolarHBondContact O-N 2.82Å; R98-S102 PolarHBondContact O-OG 3.44Å; Q99-S102 WeakPolarHBondContact CA-OG 3.5Å; Q99-S102 PolarHBondContact O-OG 2.89Å; S102-P104 VanDerWaalsContact O-CD 3.28Å; S102-P104 WeakPolarHBondContact O-CD 3.49Å |
| 103 | Q | 52.4 | Low | 61.4 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 62% | 0.621 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -69.7 | 116.8 | 171.9 | -154.5 | -165 | 126.1 | 0 | 0 | 108.4 | Q99 L100 V105 | Q99-Q103 PolarHBondContact O-N 3.24Å; L100-Q103 WeakPolarHBondContact O-CB 3.43Å; L100-Q103 PolarHBondContact O-N 3.45Å; Q103-V105 PolarHBondContact O-N 2.89Å |
| 104 | P | 49.4 | Very low | 59.2 | Low | 94 Ų | 94 | 121 Ų | 121 | 61% | 0.61 | 66% | 0.659 | S | S | * | * | trans | -62.6 | 128.9 | 173.2 | 26.5 | -30.7 | 0 | 0 | 0 | 107.6 | S102 H106 | S102-P104 VanDerWaalsContact O-CD 3.28Å; S102-P104 WeakPolarHBondContact O-CD 3.49Å; P104-H106 PolarHBondContact O-N 3.42Å | ||
| 105 | V | 44.7 | Very low | 56.9 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 76% | 0.758 | 69% | 0.685 | S | S | * | * | trans | -63.7 | 88.8 | 167.6 | -174.8 | 0 | 0 | 0 | 0 | 106.5 | Q103 L107 | Q103-V105 PolarHBondContact O-N 2.89Å; V105-L107 VanDerWaalsContact C-N 3.3Å; V105-L107 HydrophobicContact CG1-CD1 3.88Å; V105-L107 HydrophobicContact CG1-CG 4.2Å; V105-L107 PolarHBondContact O-N 2.89Å | ||
| 106 | H | 45.2 | Very low | 54.9 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | trans | -78.2 | 88.9 | 174.3 | -144.2 | -78.6 | 0 | 0 | 0 | 107 | P104 | P104-H106 PolarHBondContact O-N 3.42Š| ||
| 107 | L | 45.3 | Very low | 53.2 | Low | 129 Ų | 129 | 125 Ų | 125 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -70.3 | 123.2 | 165 | -85.2 | 134.7 | 0 | 0 | 0 | 108.9 | V105 | V105-L107 VanDerWaalsContact C-N 3.3Å; V105-L107 HydrophobicContact CG1-CD1 3.88Å; V105-L107 HydrophobicContact CG1-CG 4.2Å; V105-L107 PolarHBondContact O-N 2.89Å | ||
| 108 | D | 36 | Very low | 51 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | trans | 77.2 | 114.5 | 150.7 | -69.3 | -80 | 0 | 0 | 0 | 121.6 | ||||
| 109 | N | 43.3 | Very low | 48.6 | Very low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | 49.6 | 112.5 | 129.1 | -71.8 | -23.3 | 0 | 0 | 0 | 120.8 | |||||
| 110 | E | 33.3 | Very low | 46.5 | Very low | 198 Ų | 198 | 123.9 Ų | 123.9 | 93% | 0.925 | 73% | 0.725 | S | S | * | * | -169.7 | 128.7 | 105.8 | -135.7 | 172.9 | 76.2 | 0 | 0 | 111.2 | |||||
| 111 | A | 40.1 | Very low | 44.4 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | -92.5 | 167.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 112 | P | 53.5 | Low | 42.3 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | cis | -142.2 | 178.4 | 46.8 | 36.8 | -12.6 | 0 | 0 | 0 | 112.5 | ||||
| 113 | S | 37.3 | Very low | 41.2 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | cis | -170.2 | 147.7 | 44.1 | -66.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 114 | S | 36.5 | Very low | 40.9 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 51.4 | 125.9 | 138.6 | -42.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 115 | D | 35.2 | Very low | 40.6 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | cis | -152 | 148.1 | 46.6 | -83.8 | -54.4 | 0 | 0 | 0 | 113.2 | ||||
| 116 | T | 41.2 | Very low | 40.7 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | -101.3 | 165.7 | 171.5 | -20 | 0 | 0 | 0 | 0 | 109.6 | L118 | T116-L118 HydrophobicContact CG2-CG 4.23Š| ||
| 117 | P | 48.8 | Very low | 40.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -143.2 | 130.8 | 76.1 | 26 | -2.9 | 0 | 0 | 0 | 114.6 | |||||
| 118 | L | 38.9 | Very low | 40.3 | Very low | 141 Ų | 141 | 133 Ų | 133 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | 77.7 | 116 | 87.5 | -69.1 | 176.1 | 0 | 0 | 0 | 117 | T116 | T116-L118 HydrophobicContact CG2-CG 4.23Š| |||
| 119 | S | 33.8 | Very low | 40.6 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 179.2 | 103.8 | 123.4 | -74.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 120 | I | 40.9 | Very low | 40.9 | Very low | 148 Ų | 148 | 134 Ų | 134 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 55.7 | 115.1 | 92.4 | -84 | -177.8 | 0 | 0 | 0 | 111.2 | |||||
| 121 | T | 33.3 | Very low | 41.4 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | -172.8 | 146.1 | 62.5 | -23.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 122 | G | 32.3 | Very low | 41.7 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 55.5 | 111.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 123 | Q | 43 | Very low | 41.4 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -70.4 | 146.8 | 140.9 | -95.9 | -172.9 | -80.7 | 0 | 0 | 109.2 | ||||
| 124 | P | 47.4 | Very low | 41.9 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -145.9 | 162.4 | 77.4 | 32.9 | -11.5 | 0 | 0 | 0 | 116.5 | |||||
| 125 | R | 42.1 | Very low | 42 | Very low | 212 Ų | 212 | 127.9 Ų | 127.9 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -16.4 | 137.6 | 152.5 | -177.3 | 176.9 | -178.7 | 158 | 3.2 | 113.2 | ||||
| 126 | P | 48.4 | Very low | 42.4 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 60% | 0.597 | 78% | 0.78 | S | S | * | * | -162.6 | 171.3 | 71 | 42.3 | -19.2 | 0 | 0 | 0 | 118.9 | |||||
| 127 | E | 42.3 | Very low | 42.7 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | 58.2 | 117.8 | 133.4 | -66.1 | 160.8 | 168.4 | 0 | 0 | 121.9 | ||||
| 128 | H | 39.4 | Very low | 42.2 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 63.5 | 116.9 | 135.8 | -162.5 | -92.9 | 0 | 0 | 0 | 119.6 | E130 | H128-E130 IonicContact CE1-OE2 3.14Å; H128-E130 PolarHBondContact CE1-OE2 2.86Å; H128-E130 IonicContact NE2-OE2 3.31Å; H128-E130 PolarHBondContact NE2-OE2 3.38Å | ||
| 129 | C | 42.2 | Very low | 42.8 | Very low | 122 Ų | 122 | 132 Ų | 132 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | -157.9 | 128.6 | 120.7 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 130 | E | 50 | Low | 43.1 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 149.3 | 165.4 | -57.3 | 161.4 | 108.9 | 0 | 0 | 111.6 | H128 | H128-E130 IonicContact CE1-OE2 3.14Å; H128-E130 PolarHBondContact CE1-OE2 2.86Å; H128-E130 IonicContact NE2-OE2 3.31Å; H128-E130 PolarHBondContact NE2-OE2 3.38Å | ||
| 131 | G | 43.7 | Very low | 44 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 89.9 | 121 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 132 | A | 45.1 | Very low | 45.3 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 170.2 | 114.7 | 124.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 133 | A | 47.2 | Very low | 46.5 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | 65 | 102.1 | 57.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 134 | S | 49.3 | Very low | 46.2 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -176.8 | 111.3 | 145.7 | -77.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 135 | G | 38.4 | Very low | 45.9 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 81.6 | 133 | 70 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 136 | L | 43.3 | Very low | 46.3 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | cis | -166.1 | 144.3 | 19.2 | -64.8 | 159.5 | 0 | 0 | 0 | 104.4 | ||||
| 137 | R | 47.7 | Very low | 45.8 | Very low | 249 Ų | 249 | 126.4 Ų | 126.4 | 94% | 0.94 | 79% | 0.791 | S | S | * | * | 168.7 | 135.4 | 89.1 | -130 | 172.9 | 162 | -110.6 | -1.2 | 108.8 | |||||
| 138 | G | 38.5 | Very low | 46.3 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -80.8 | -149.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 139 | P | 49.7 | Very low | 46.2 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | cis | -136.9 | 169.6 | 7.4 | 30.4 | -6.7 | 0 | 0 | 0 | 117.9 | ||||
| 140 | L | 41.8 | Very low | 46 | Very low | 152 Ų | 152 | 124 Ų | 124 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -73.8 | 159.1 | 168.3 | -150.4 | 93.4 | 0 | 0 | 0 | 112.2 | P142 | L140-P142 HydrophobicContact CD2-CG 4.37Š| ||
| 141 | P | 58.3 | Low | 45.2 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | -147 | 159.7 | 115.2 | 33.6 | -16.5 | 0 | 0 | 0 | 116.8 | |||||
| 142 | P | 61.6 | Low | 45 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | trans | -103.6 | -159.2 | 163.2 | 42 | -26.9 | 0 | 0 | 0 | 109.8 | L140 | L140-P142 HydrophobicContact CD2-CG 4.37Š| ||
| 143 | P | 56.8 | Low | 45.2 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -145.7 | 170.9 | 4.1 | 40.4 | -18 | 0 | 0 | 0 | 119.3 | ||||
| 144 | A | 36.8 | Very low | 45.7 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 31.9 | 129.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 145 | N | 40.4 | Very low | 45.1 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 54.2 | 170.9 | 133.4 | -94.5 | 1 | 0 | 0 | 0 | 122 | ||||
| 146 | P | 51.6 | Low | 45.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -134.9 | -177.8 | 1.7 | 36.8 | -14.7 | 0 | 0 | 0 | 116.9 | ||||
| 147 | S | 38.2 | Very low | 45.2 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 173.6 | 174.8 | -48.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 148 | P | 52.3 | Low | 45.2 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | -145.8 | 168.1 | 99.8 | 36.5 | -18.9 | 0 | 0 | 0 | 116.4 | |||||
| 149 | A | 38.3 | Very low | 45 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -85.6 | 169.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 150 | L | 37.3 | Very low | 44.6 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 162 | 110.6 | 133.7 | -80.3 | 175.4 | 0 | 0 | 0 | 108 | ||||
| 151 | T | 33.8 | Very low | 44.8 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | 91.9 | 102.8 | 94.8 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 152 | V | 39.6 | Very low | 43.9 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -147.7 | 120.4 | 134.9 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 153 | T | 47.4 | Very low | 42.7 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -100.2 | -166.4 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 154 | P | 59.5 | Low | 42.1 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | -123.1 | 155.6 | -110 | 31.4 | -10.1 | 0 | 0 | 0 | 114.3 | |||||
| 155 | S | 36.7 | Very low | 42.4 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -168.7 | 141.8 | 158.7 | -29.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 156 | F | 37.3 | Very low | 42.5 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | cis | -151.5 | 153.2 | 10.8 | -80.4 | -80 | 0 | 0 | 0 | 109.4 | ||||
| 157 | L | 45.5 | Very low | 41.9 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -65.4 | -171.5 | 167.6 | -88.9 | 85.1 | 0 | 0 | 0 | 112.9 | ||||
| 158 | P | 48.6 | Very low | 42.4 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | cis | -131.9 | 165.7 | -48 | 35.2 | -19.5 | 0 | 0 | 0 | 111.1 | ||||
| 159 | T | 33.5 | Very low | 41.7 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -147.8 | 97.5 | 155.7 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 160 | S | 42 | Very low | 42 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 40.4 | 105.1 | 144.7 | 54.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 161 | T | 44.4 | Very low | 42.5 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -38.4 | 143.5 | 130.4 | -0.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 162 | P | 41.1 | Very low | 43 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -125.5 | 124.4 | 110.5 | 33.3 | -26.1 | 0 | 0 | 0 | 109.5 | |||||
| 163 | S | 36.6 | Very low | 43.4 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | 66.2 | 112.7 | 83.7 | -159.8 | 0 | 0 | 0 | 0 | 112.6 | Q165 | S163-Q165 PolarHBondContact O-N 3.14Š| |||
| 164 | I | 42.8 | Very low | 43.6 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -54.3 | 124.9 | 172.7 | -64.8 | 167.5 | 0 | 0 | 0 | 109.7 | ||||
| 165 | Q | 42.6 | Very low | 43.3 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -138.9 | 131 | 148.8 | -69.2 | -166.8 | 26.6 | 0 | 0 | 109.3 | S163 V167 | S163-Q165 PolarHBondContact O-N 3.14Å; Q165-V167 HydrophobicContact CB-CG2 4.36Å; Q165-V167 PolarHBondContact O-N 2.93Å | ||
| 166 | P | 43.7 | Very low | 44 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -79.7 | 94.5 | 168 | 31.2 | -26.9 | 0 | 0 | 0 | 108.1 | Q168 | P166-Q168 PolarHBondContact O-N 2.95Š| ||
| 167 | V | 38 | Very low | 44.8 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | trans | -92.4 | 96.7 | 167.5 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | Q165 V169 | Q165-V167 HydrophobicContact CB-CG2 4.36Å; Q165-V167 PolarHBondContact O-N 2.93Å; V167-V169 HydrophobicContact CG1-CG2 4.07Å; V167-V169 PolarHBondContact O-N 3.23Å | ||
| 168 | Q | 49.4 | Very low | 45.4 | Very low | 185 Ų | 185 | 117.3 Ų | 117.3 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | trans | -59 | 99.5 | 163.4 | -63.4 | 174.2 | -86 | 0 | 0 | 108 | P166 | P166-Q168 PolarHBondContact O-N 2.95Š| ||
| 169 | V | 38.1 | Very low | 46.1 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | trans | -92.9 | 100.2 | 158.1 | -171.6 | 0 | 0 | 0 | 0 | 105.5 | V167 A171 | V167-V169 HydrophobicContact CG1-CG2 4.07Å; V167-V169 PolarHBondContact O-N 3.23Å; V169-A171 VanDerWaalsContact C-N 3.27Å; V169-A171 PolarHBondContact O-N 3.39Å | ||
| 170 | A | 45.1 | Very low | 48.3 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 79% | 0.793 | 71% | 0.706 | S | S | * | * | trans | -57.9 | 94 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 171 | A | 46.2 | Very low | 50.4 | Low | 74 Ų | 74 | 113.9 Ų | 113.9 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | trans | -68.5 | 134.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | V169 I173 | V169-A171 VanDerWaalsContact C-N 3.27Å; V169-A171 PolarHBondContact O-N 3.39Å; A171-I173 PolarHBondContact O-N 3.32Å; A171-I173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | P | 44.1 | Very low | 52.6 | Low | 112 Ų | 112 | 109.7 Ų | 109.7 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | -59.5 | 122.6 | 177.9 | 24.9 | -30.7 | 0 | 0 | 0 | 107.6 | V174 | P172-V174 PolarHBondContact O-N 2.87Š| ||
| 173 | I | 49.2 | Very low | 54.9 | Low | 169 Ų | 169 | 107 Ų | 107 | 87% | 0.867 | 66% | 0.66 | S | S | * | * | trans | -62.8 | 85.9 | 167 | -61 | 168.2 | 0 | 0 | 0 | 105.3 | A171 A175 | A171-I173 PolarHBondContact O-N 3.32Å; A171-I173 VanDerWaalsContact O-N 3.09Å; I173-A175 PolarHBondContact O-N 2.87Å | ||
| 174 | V | 52.2 | Low | 57.7 | Low | 122 Ų | 122 | 106 Ų | 106 | 74% | 0.739 | 65% | 0.653 | S | S | * | * | trans | -73.7 | 110.2 | 161.7 | 175.5 | 0 | 0 | 0 | 0 | 104.1 | P172 | P172-V174 PolarHBondContact O-N 2.87Š| ||
| 175 | A | 53.2 | Low | 60.1 | Low | 72 Ų | 72 | 100 Ų | 100 | 60% | 0.595 | 63% | 0.628 | S | S | * | * | trans | -43.7 | 131.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I173 A177 | I173-A175 PolarHBondContact O-N 2.87Å; A175-A177 PolarHBondContact O-N 3.37Å | ||
| 176 | P | 50.8 | Low | 62.7 | Low | 122 Ų | 122 | 95.4 Ų | 95.4 | 79% | 0.792 | 61% | 0.607 | S | S | * | * | trans | -65.1 | 108.1 | 173.3 | 26.4 | -29.5 | 0 | 0 | 0 | 106.7 | ||||
| 177 | A | 54.5 | Low | 65.2 | Low | 60 Ų | 60 | 94.2 Ų | 94.2 | 50% | 0.496 | 59% | 0.594 | S | S | . | * | trans | -51.3 | 134 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | A175 H179 P180 | A175-A177 PolarHBondContact O-N 3.37Å; A177-H179 PolarHBondContact O-N 2.9Å; A177-H179 VanDerWaalsContact O-N 3.15Å; A177-P180 WeakPolarHBondContact O-CD 3.33Å | ||
| 178 | P | 57.2 | Low | 68 | Low | 98 Ų | 98 | 91.9 Ų | 91.9 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -71.6 | -5.5 | -175.2 | 22.1 | -28.2 | 0 | 0 | 0 | 113.9 | ||
| 179 | H | 63.8 | Low | 70.3 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -98.8 | -24.8 | -168.9 | -57.5 | -84.8 | 0 | 0 | 0 | 118.7 | A177 A181 L182 S183 H230 | A177-H179 PolarHBondContact O-N 2.9Å; A177-H179 VanDerWaalsContact O-N 3.15Å; H179-A181 PolarHBondContact O-N 2.74Å; H179-L182 PolarHBondContact O-N 3.02Å; H179-S183 WeakPolarHBondContact O-CB 3.33Å; H179-S183 PolarHBondContact O-N 3.36Å; H179-H230 AromaticContact CE1-NE2 3.81Å; H179-H230 AromaticContact ND1-CD2 3.9Å; H179-H230 AromaticContact ND1-NE2 3.41Å; H179-H230 PolarHBondContact ND1-NE2 2.75Å |
| 180 | P | 79.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 81 Ų | 81 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.7 | -31.8 | -172.3 | 29.8 | -30.9 | 0 | 0 | 0 | 112.2 | A177 S184 | A177-P180 WeakPolarHBondContact O-CD 3.33Å; P180-S184 WeakPolarHBondContact O-CB 3.34Å; P180-S184 PolarHBondContact O-N 3.47Å |
| 181 | A | 86.3 | Confident | 75.6 | Confident | 75 Ų | 75 | 82 Ų | 82 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H179 S184 A185 | H179-A181 PolarHBondContact O-N 2.74Å; A181-S184 PolarHBondContact O-N 3.06Å; A181-A185 WeakPolarHBondContact O-CB 3.5Å; A181-A185 PolarHBondContact O-N 3.33Å |
| 182 | L | 90.3 | Very high | 78.1 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 25% | 0.246 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.7 | -70 | 173.2 | 0 | 0 | 0 | 111.6 | H179 S184 A185 E186 L226 L229 | H179-L182 PolarHBondContact O-N 3.02Å; L182-S184 PolarHBondContact O-N 3.18Å; L182-A185 PolarHBondContact O-N 2.81Å; L182-E186 PolarHBondContact O-N 3.38Å; L182-L226 HydrophobicContact CD2-CD2 3.92Å; L182-L229 HydrophobicContact CD2-CB 4.49Å |
| 183 | S | 90.5 | Very high | 80.6 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | H179 A185 E186 D187 | H179-S183 WeakPolarHBondContact O-CB 3.33Å; H179-S183 PolarHBondContact O-N 3.36Å; S183-A185 VanDerWaalsContact C-N 3.33Å; S183-A185 PolarHBondContact O-N 2.98Å; S183-E186 PolarHBondContact O-N 3.38Å; S183-D187 PolarHBondContact O-N 2.99Å |
| 184 | S | 94 | Very high | 82.9 | Confident | 77 Ų | 77 | 80 Ų | 80 | 54% | 0.538 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | P180 A181 L182 A188 | P180-S184 WeakPolarHBondContact O-CB 3.34Å; P180-S184 PolarHBondContact O-N 3.47Å; A181-S184 PolarHBondContact O-N 3.06Å; L182-S184 PolarHBondContact O-N 3.18Å; S184-A188 WeakPolarHBondContact O-CB 3.33Å; S184-A188 PolarHBondContact O-N 3.16Å |
| 185 | A | 94.8 | Very high | 85.1 | Confident | 38 Ų | 38 | 80 Ų | 80 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A181 L182 S183 D187 A188 V189 L226 | A181-A185 WeakPolarHBondContact O-CB 3.5Å; A181-A185 PolarHBondContact O-N 3.33Å; L182-A185 PolarHBondContact O-N 2.81Å; S183-A185 VanDerWaalsContact C-N 3.33Å; S183-A185 PolarHBondContact O-N 2.98Å; A185-D187 PolarHBondContact O-N 2.96Å; A185-A188 PolarHBondContact O-N 3.36Å; A185-V189 WeakPolarHBondContact O-CG2 3.41Å; A185-V189 PolarHBondContact O-N 3.11Å; A185-L226 HydrophobicContact CB-CD1 4.17Å; A185-L226 HydrophobicContact CB-CD2 4.19Å |
| 186 | E | 95.6 | Very high | 87.2 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.6 | -177 | 171.7 | -168 | 0 | 0 | 111.2 | L182 S183 A188 V189 L190 L223 L226 | L182-E186 PolarHBondContact O-N 3.38Å; S183-E186 PolarHBondContact O-N 3.38Å; E186-A188 PolarHBondContact O-N 2.87Å; E186-V189 PolarHBondContact O-N 3.14Å; E186-L190 HydrophobicContact CG-CD1 4.05Å; E186-L190 HydrophobicContact CG-CG 4.49Å; E186-L190 WeakPolarHBondContact O-CB 3.31Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 3.1Å; E186-L223 HydrophobicContact CG-CD2 3.92Å; E186-L226 HydrophobicContact CB-CD1 4.41Å |
| 187 | D | 96.2 | Very high | 89.4 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.4 | -88.6 | -50.9 | 0 | 0 | 0 | 112.5 | S183 A185 V189 L190 H191 | S183-D187 PolarHBondContact O-N 2.99Å; A185-D187 PolarHBondContact O-N 2.96Å; D187-V189 PolarHBondContact O-N 3.35Å; D187-L190 PolarHBondContact O-N 3.2Å; D187-H191 WeakPolarHBondContact O-CB 3.41Å; D187-H191 PolarHBondContact O-N 3.37Å |
| 188 | A | 96.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S184 A185 E186 H191 K192 | S184-A188 WeakPolarHBondContact O-CB 3.33Å; S184-A188 PolarHBondContact O-N 3.16Å; A185-A188 PolarHBondContact O-N 3.36Å; E186-A188 PolarHBondContact O-N 2.87Å; A188-H191 PolarHBondContact O-N 3.44Å; A188-K192 PolarHBondContact O-N 3.37Å; A188-K192 VanDerWaalsContact O-N 3.12Å |
| 189 | V | 97.8 | Very high | 93.4 | Very high | 26 Ų | 26 | 75.8 Ų | 75.8 | 16% | 0.158 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 177.1 | 178 | 0 | 0 | 0 | 0 | 110.8 | A185 E186 D187 H191 K192 L193 C219 L223 L226 | A185-V189 WeakPolarHBondContact O-CG2 3.41Å; A185-V189 PolarHBondContact O-N 3.11Å; E186-V189 PolarHBondContact O-N 3.14Å; D187-V189 PolarHBondContact O-N 3.35Å; V189-H191 VanDerWaalsContact C-N 3.27Å; V189-H191 PolarHBondContact O-N 3.08Å; V189-K192 PolarHBondContact O-N 3.42Å; V189-L193 WeakPolarHBondContact O-CB 3.35Å; V189-L193 PolarHBondContact O-N 3.46Å; V189-C219 HydrophobicContact CG1-CB 3.76Å; V189-C219 WeakPolarHBondContact CG1-O 3.45Å; V189-L223 HydrophobicContact CB-CD2 4.1Å; V189-L223 HydrophobicContact CB-CG 4.4Å; V189-L223 HydrophobicContact CG1-CD1 4.22Å; V189-L223 HydrophobicContact CG1-CD2 3.94Å; V189-L223 HydrophobicContact CG1-CG 3.69Å; V189-L226 HydrophobicContact CG2-CD1 4.41Å |
| 190 | L | 97.7 | Very high | 95 | Very high | 55 Ų | 55 | 73.3 Ų | 73.3 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 175.6 | -74.1 | 173.2 | 0 | 0 | 0 | 112.4 | E186 D187 R194 L223 | E186-L190 HydrophobicContact CG-CD1 4.05Å; E186-L190 HydrophobicContact CG-CG 4.49Å; E186-L190 WeakPolarHBondContact O-CB 3.31Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 3.1Å; D187-L190 PolarHBondContact O-N 3.2Å; L190-R194 PolarHBondContact O-N 3.04Å; L190-R194 PolarHBondContact O-NE 3.39Å; L190-L223 HydrophobicContact CD2-CD1 3.86Å; L190-L223 HydrophobicContact CD2-CD2 4.31Å; L190-L223 HydrophobicContact CG-CD2 4.18Å |
| 191 | H | 97.9 | Very high | 95.7 | Very high | 119 Ų | 119 | 76.3 Ų | 76.3 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 174.3 | 179.7 | -87.2 | 0 | 0 | 0 | 111.5 | D187 A188 V189 L193 R194 W195 | D187-H191 WeakPolarHBondContact O-CB 3.41Å; D187-H191 PolarHBondContact O-N 3.37Å; A188-H191 PolarHBondContact O-N 3.44Å; V189-H191 VanDerWaalsContact C-N 3.27Å; V189-H191 PolarHBondContact O-N 3.08Å; H191-L193 VanDerWaalsContact C-N 3.35Å; H191-L193 PolarHBondContact O-N 3.31Å; H191-R194 PolarHBondContact O-N 3.34Å; H191-W195 PolarHBondContact O-N 2.95Å |
| 192 | K | 97.7 | Very high | 96.2 | Very high | 125 Ų | 125 | 79.1 Ų | 79.1 | 54% | 0.543 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 177 | -77.5 | -166.5 | 178.8 | -70.5 | 0 | 112.8 | A188 V189 W195 A196 | A188-K192 PolarHBondContact O-N 3.37Å; A188-K192 VanDerWaalsContact O-N 3.12Å; V189-K192 PolarHBondContact O-N 3.42Å; K192-W195 PolarHBondContact O-N 3.49Å; K192-A196 WeakPolarHBondContact O-CB 3.46Å; K192-A196 PolarHBondContact O-N 2.98Å |
| 193 | L | 97.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 78.4 Ų | 78.4 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.2 | -176.8 | 72 | 0 | 0 | 0 | 111.4 | V189 H191 A196 T197 I216 C219 L223 | V189-L193 WeakPolarHBondContact O-CB 3.35Å; V189-L193 PolarHBondContact O-N 3.46Å; H191-L193 VanDerWaalsContact C-N 3.35Å; H191-L193 PolarHBondContact O-N 3.31Å; L193-A196 PolarHBondContact O-N 2.96Å; L193-T197 WeakPolarHBondContact O-CB 3.46Å; L193-T197 PolarHBondContact O-N 3.05Å; L193-T197 PolarHBondContact O-OG1 3.37Å; L193-I216 HydrophobicContact CD1-CB 4.24Å; L193-I216 HydrophobicContact CD1-CG1 4.26Å; L193-I216 HydrophobicContact CD1-CG2 3.84Å; L193-C219 HydrophobicContact CB-CB 4.2Å; L193-C219 HydrophobicContact CD1-CB 3.94Å; L193-L223 HydrophobicContact CD2-CD1 4.37Å |
| 194 | R | 97.9 | Very high | 96.4 | Very high | 146 Ų | 146 | 80.6 Ų | 80.6 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 176.1 | -82.4 | -177.7 | -95.2 | 136.2 | -8.7 | 111.8 | L190 H191 A196 T197 Q198 | L190-R194 PolarHBondContact O-N 3.04Å; L190-R194 PolarHBondContact O-NE 3.39Å; H191-R194 PolarHBondContact O-N 3.34Å; R194-A196 PolarHBondContact O-N 3.46Å; R194-T197 PolarHBondContact O-N 3.02Å; R194-Q198 PolarHBondContact O-N 2.89Å |
| 195 | W | 97.9 | Very high | 96.5 | Very high | 122 Ų | 122 | 79.9 Ų | 79.9 | 46% | 0.462 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.5 | -49.9 | 176.4 | 175.9 | 80.2 | 0 | 0 | 0 | 111.6 | H191 K192 T197 Q198 E199 L212 L215 | H191-W195 PolarHBondContact O-N 2.95Å; K192-W195 PolarHBondContact O-N 3.49Å; W195-T197 VanDerWaalsContact C-N 3.29Å; W195-T197 PolarHBondContact O-N 3.34Å; W195-Q198 PolarHBondContact O-N 3.48Å; W195-Q198 VanDerWaalsContact O-N 3.13Å; W195-E199 HydrophobicContact CH2-CB 4.49Å; W195-E199 HydrophobicContact CH2-CG 4.26Å; W195-E199 HydrophobicContact CZ2-CB 4.27Å; W195-E199 HydrophobicContact CZ2-CG 3.97Å; W195-E199 WeakPolarHBondContact O-CB 3.42Å; W195-E199 PolarHBondContact O-N 3.12Å; W195-L212 HydrophobicContact CH2-CD2 4.12Å; W195-L212 HydrophobicContact CZ3-CD2 3.79Å; W195-L215 HydrophobicContact CE3-CD2 4.41Å; W195-L215 HydrophobicContact CZ3-CD2 4.06Å |
| 196 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.2 | -38.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K192 L193 R194 L200 L212 L215 I216 | K192-A196 WeakPolarHBondContact O-CB 3.46Å; K192-A196 PolarHBondContact O-N 2.98Å; L193-A196 PolarHBondContact O-N 2.96Å; R194-A196 PolarHBondContact O-N 3.46Å; A196-L200 WeakPolarHBondContact O-CB 3.45Å; A196-L200 PolarHBondContact O-N 3.19Å; A196-L212 HydrophobicContact CB-CD2 4.11Å; A196-L215 HydrophobicContact CB-CD2 3.97Å; A196-L215 HydrophobicContact CB-CG 4.37Å; A196-I216 HydrophobicContact CB-CD1 4.33Å; A196-I216 HydrophobicContact CB-CG1 3.8Å |
| 197 | T | 97.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 86.2 Ų | 86.2 | 37% | 0.368 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | L193 R194 W195 Q201 | L193-T197 WeakPolarHBondContact O-CB 3.46Å; L193-T197 PolarHBondContact O-N 3.05Å; L193-T197 PolarHBondContact O-OG1 3.37Å; R194-T197 PolarHBondContact O-N 3.02Å; W195-T197 VanDerWaalsContact C-N 3.29Å; W195-T197 PolarHBondContact O-N 3.34Å; T197-Q201 WeakPolarHBondContact O-CG 3.4Å; T197-Q201 PolarHBondContact O-N 2.97Å |
| 198 | Q | 97.5 | Very high | 96.6 | Very high | 118 Ų | 118 | 83.4 Ų | 83.4 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.9 | -45.2 | 177.8 | -175.6 | 166.4 | 36.7 | 0 | 0 | 111.8 | R194 W195 L200 Q201 | R194-Q198 PolarHBondContact O-N 2.89Å; W195-Q198 PolarHBondContact O-N 3.48Å; W195-Q198 VanDerWaalsContact O-N 3.13Å; Q198-L200 PolarHBondContact O-N 2.78Å; Q198-Q201 PolarHBondContact O-N 3.06Å |
| 199 | E | 97.4 | Very high | 96.6 | Very high | 84 Ų | 84 | 82 Ų | 82 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 177.8 | -158.1 | 66 | -146.2 | 0 | 0 | 111.2 | W195 Q201 H202 S203 L212 | W195-E199 HydrophobicContact CH2-CB 4.49Å; W195-E199 HydrophobicContact CH2-CG 4.26Å; W195-E199 HydrophobicContact CZ2-CB 4.27Å; W195-E199 HydrophobicContact CZ2-CG 3.97Å; W195-E199 WeakPolarHBondContact O-CB 3.42Å; W195-E199 PolarHBondContact O-N 3.12Å; E199-Q201 VanDerWaalsContact C-N 3.3Å; E199-Q201 PolarHBondContact O-N 3.39Å; E199-H202 PolarHBondContact O-N 3.11Å; E199-H202 VanDerWaalsContact O-N 3.17Å; E199-S203 WeakPolarHBondContact O-CB 3.38Å; E199-S203 PolarHBondContact O-N 3.12Å; E199-L212 HydrophobicContact CB-CD1 4.04Å; E199-L212 HydrophobicContact CB-CD2 4.13Å; E199-L212 HydrophobicContact CG-CD1 4.13Å; E199-L212 HydrophobicContact CG-CD2 4.42Å |
| 200 | L | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 85.3 Ų | 85.3 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 178 | -177.5 | 64.9 | 0 | 0 | 0 | 112.5 | A196 Q198 H202 L212 I216 | A196-L200 WeakPolarHBondContact O-CB 3.45Å; A196-L200 PolarHBondContact O-N 3.19Å; Q198-L200 PolarHBondContact O-N 2.78Å; L200-H202 VanDerWaalsContact C-N 3.28Å; L200-H202 PolarHBondContact O-N 3.46Å; L200-L212 HydrophobicContact CB-CB 4.34Å; L200-L212 HydrophobicContact CB-CD1 4.07Å; L200-L212 HydrophobicContact CD1-CB 4.1Å; L200-L212 HydrophobicContact CD1-CD1 4.27Å; L200-I216 HydrophobicContact CD2-CD1 4.02Å |
| 201 | Q | 95.1 | Very high | 96.6 | Very high | 148 Ų | 148 | 88.8 Ų | 88.8 | 69% | 0.692 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.1 | -28 | 177.2 | -68.7 | 176.2 | 15.5 | 0 | 0 | 112.7 | T197 Q198 E199 | T197-Q201 WeakPolarHBondContact O-CG 3.4Å; T197-Q201 PolarHBondContact O-N 2.97Å; Q198-Q201 PolarHBondContact O-N 3.06Å; E199-Q201 VanDerWaalsContact C-N 3.3Å; E199-Q201 PolarHBondContact O-N 3.39Å |
| 202 | H | 95.6 | Very high | 96.6 | Very high | 134 Ų | 134 | 83.8 Ų | 83.8 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -96.8 | -13.3 | 179.7 | -60.1 | 154.8 | 0 | 0 | 0 | 113.1 | E199 L200 A204 | E199-H202 PolarHBondContact O-N 3.11Å; E199-H202 VanDerWaalsContact O-N 3.17Å; L200-H202 VanDerWaalsContact C-N 3.28Å; L200-H202 PolarHBondContact O-N 3.46Å; H202-A204 PolarHBondContact O-N 3.49Å |
| 203 | S | 92 | Very high | 96.6 | Very high | 32 Ų | 32 | 80.7 Ų | 80.7 | 22% | 0.224 | 43% | 0.425 | C | S | . | . | trans | -68.7 | 119 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | E199 S205 S209 | E199-S203 WeakPolarHBondContact O-CB 3.38Å; E199-S203 PolarHBondContact O-N 3.12Å; S203-S205 PolarHBondContact OG-N 3.39Å; S203-S205 PolarHBondContact OG-O 3.08Å; S203-S205 VanDerWaalsContact OG-O 3.07Å; S203-S209 PolarHBondContact OG-OG 3.03Å | ||
| 204 | A | 93.4 | Very high | 96.6 | Very high | 108 Ų | 108 | 81.8 Ų | 81.8 | 89% | 0.893 | 44% | 0.436 | S | S | * | . | trans | -92.7 | -4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | H202 | H202-A204 PolarHBondContact O-N 3.49Š| ||
| 205 | S | 96.4 | Very high | 96.6 | Very high | 62 Ų | 62 | 77.6 Ų | 77.6 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | trans | -97.9 | 123.7 | 179.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | S203 E207 A208 S209 | S203-S205 PolarHBondContact OG-N 3.39Å; S203-S205 PolarHBondContact OG-O 3.08Å; S203-S205 VanDerWaalsContact OG-O 3.07Å; S205-E207 VanDerWaalsContact C-N 3.3Å; S205-E207 PolarHBondContact O-N 2.98Å; S205-A208 PolarHBondContact O-N 2.9Å; S205-S209 PolarHBondContact O-N 3.37Å; S205-S209 PolarHBondContact O-OG 3.43Å; S205-S209 VanDerWaalsContact O-OG 3.08Å | ||
| 206 | V | 96.8 | Very high | 96.6 | Very high | 113 Ų | 113 | 73.9 Ų | 73.9 | 69% | 0.685 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | A208 S209 I210 | V206-A208 PolarHBondContact O-N 3.4Å; V206-S209 WeakPolarHBondContact O-CB 3.35Å; V206-S209 PolarHBondContact O-N 3.48Å; V206-I210 HydrophobicContact CG1-CD1 4.15Å; V206-I210 WeakPolarHBondContact O-CG1 3.38Å; V206-I210 PolarHBondContact O-N 3.3Å |
| 207 | E | 96.4 | Very high | 96.6 | Very high | 118 Ų | 118 | 82.1 Ų | 82.1 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 179.3 | -172 | 61.1 | -154.4 | 0 | 0 | 111.5 | S205 S209 I210 Q211 | S205-E207 VanDerWaalsContact C-N 3.3Å; S205-E207 PolarHBondContact O-N 2.98Å; E207-S209 VanDerWaalsContact C-N 3.31Å; E207-S209 PolarHBondContact O-N 2.89Å; E207-I210 PolarHBondContact O-N 3.47Å; E207-Q211 WeakPolarHBondContact O-CG 3.39Å; E207-Q211 PolarHBondContact O-N 3.39Å; E207-Q211 VanDerWaalsContact O-N 3.09Å |
| 208 | A | 95.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 82 Ų | 82 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S205 V206 I210 Q211 L212 | S205-A208 PolarHBondContact O-N 2.9Å; V206-A208 PolarHBondContact O-N 3.4Å; A208-I210 VanDerWaalsContact C-N 3.33Å; A208-I210 PolarHBondContact O-N 2.78Å; A208-Q211 PolarHBondContact O-N 3.04Å; A208-L212 WeakPolarHBondContact O-CB 3.33Å; A208-L212 VanDerWaalsContact O-CG 3.28Å; A208-L212 WeakPolarHBondContact O-CG 3.43Å; A208-L212 PolarHBondContact O-N 2.95Å |
| 209 | S | 97.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 76.8 Ų | 76.8 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.8 | -63 | 0 | 0 | 0 | 0 | 112.6 | S203 S205 V206 E207 C213 | S203-S209 PolarHBondContact OG-OG 3.03Å; S205-S209 PolarHBondContact O-N 3.37Å; S205-S209 PolarHBondContact O-OG 3.43Å; S205-S209 VanDerWaalsContact O-OG 3.08Å; V206-S209 WeakPolarHBondContact O-CB 3.35Å; V206-S209 PolarHBondContact O-N 3.48Å; E207-S209 VanDerWaalsContact C-N 3.31Å; E207-S209 PolarHBondContact O-N 2.89Å; S209-C213 WeakPolarHBondContact O-CB 3.33Å; S209-C213 PolarHBondContact O-N 3.01Å; S209-C213 PolarHBondContact O-SG 3.41Å |
| 210 | I | 97.6 | Very high | 96.7 | Very high | 97 Ų | 97 | 75.1 Ų | 75.1 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 173.6 | -67.8 | 164.2 | 0 | 0 | 0 | 110.4 | V206 E207 A208 L212 C213 S214 | V206-I210 HydrophobicContact CG1-CD1 4.15Å; V206-I210 WeakPolarHBondContact O-CG1 3.38Å; V206-I210 PolarHBondContact O-N 3.3Å; E207-I210 PolarHBondContact O-N 3.47Å; A208-I210 VanDerWaalsContact C-N 3.33Å; A208-I210 PolarHBondContact O-N 2.78Å; I210-L212 PolarHBondContact O-N 3.38Å; I210-C213 PolarHBondContact O-N 2.87Å; I210-S214 PolarHBondContact O-N 2.77Å |
| 211 | Q | 97.7 | Very high | 96.7 | Very high | 127 Ų | 127 | 76.7 Ų | 76.7 | 59% | 0.593 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 179 | -68.2 | -174.4 | -2.1 | 0 | 0 | 112.1 | E207 A208 S214 L215 | E207-Q211 WeakPolarHBondContact O-CG 3.39Å; E207-Q211 PolarHBondContact O-N 3.39Å; E207-Q211 VanDerWaalsContact O-N 3.09Å; A208-Q211 PolarHBondContact O-N 3.04Å; Q211-S214 WeakPolarHBondContact O-CB 3.45Å; Q211-S214 PolarHBondContact O-N 2.85Å; Q211-L215 PolarHBondContact O-N 3.36Å |
| 212 | L | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.5 | -70.3 | 168 | 0 | 0 | 0 | 112 | W195 A196 E199 L200 A208 I210 S214 L215 I216 | W195-L212 HydrophobicContact CH2-CD2 4.12Å; W195-L212 HydrophobicContact CZ3-CD2 3.79Å; A196-L212 HydrophobicContact CB-CD2 4.11Å; E199-L212 HydrophobicContact CB-CD1 4.04Å; E199-L212 HydrophobicContact CB-CD2 4.13Å; E199-L212 HydrophobicContact CG-CD1 4.13Å; E199-L212 HydrophobicContact CG-CD2 4.42Å; L200-L212 HydrophobicContact CB-CB 4.34Å; L200-L212 HydrophobicContact CB-CD1 4.07Å; L200-L212 HydrophobicContact CD1-CB 4.1Å; L200-L212 HydrophobicContact CD1-CD1 4.27Å; A208-L212 WeakPolarHBondContact O-CB 3.33Å; A208-L212 VanDerWaalsContact O-CG 3.28Å; A208-L212 WeakPolarHBondContact O-CG 3.43Å; A208-L212 PolarHBondContact O-N 2.95Å; I210-L212 PolarHBondContact O-N 3.38Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.05Å; L212-L215 PolarHBondContact O-N 3.41Å; L212-I216 VanDerWaalsContact O-CG1 3.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.36Å; L212-I216 PolarHBondContact O-N 3.31Å |
| 213 | C | 97.5 | Very high | 96.9 | Very high | 59 Ų | 59 | 67 Ų | 67 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 173.5 | -76.6 | 0 | 0 | 0 | 0 | 112.3 | S209 I210 I216 R217 | S209-C213 WeakPolarHBondContact O-CB 3.33Å; S209-C213 PolarHBondContact O-N 3.01Å; S209-C213 PolarHBondContact O-SG 3.41Å; I210-C213 PolarHBondContact O-N 2.87Å; C213-I216 PolarHBondContact O-N 3.46Å; C213-R217 PolarHBondContact O-N 3.33Å; C213-R217 VanDerWaalsContact O-N 3.11Å |
| 214 | S | 97.9 | Very high | 97.1 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 173.9 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | I210 Q211 L212 I216 R217 S218 | I210-S214 PolarHBondContact O-N 2.77Å; Q211-S214 WeakPolarHBondContact O-CB 3.45Å; Q211-S214 PolarHBondContact O-N 2.85Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.05Å; S214-I216 PolarHBondContact O-N 2.77Å; S214-R217 WeakPolarHBondContact O-CB 3.32Å; S214-R217 PolarHBondContact O-N 2.99Å; S214-S218 PolarHBondContact O-N 3.09Å; S214-S218 PolarHBondContact O-OG 3.26Å |
| 215 | L | 97.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.1 | 179.1 | 60.7 | 0 | 0 | 0 | 111.9 | W195 A196 Q211 L212 R217 S218 C219 | W195-L215 HydrophobicContact CE3-CD2 4.41Å; W195-L215 HydrophobicContact CZ3-CD2 4.06Å; A196-L215 HydrophobicContact CB-CD2 3.97Å; A196-L215 HydrophobicContact CB-CG 4.37Å; Q211-L215 PolarHBondContact O-N 3.36Å; L212-L215 PolarHBondContact O-N 3.41Å; L215-R217 VanDerWaalsContact C-N 3.31Å; L215-R217 PolarHBondContact O-N 3.45Å; L215-S218 PolarHBondContact O-N 3.5Å; L215-C219 PolarHBondContact O-N 2.97Å; L215-C219 PolarHBondContact O-SG 3.28Å; L215-C219 VanDerWaalsContact O-SG 3.36Å |
| 216 | I | 98 | Very high | 97.1 | Very high | 43 Ų | 43 | 69.7 Ų | 69.7 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 176 | -73 | 165 | 0 | 0 | 0 | 110.8 | L193 A196 L200 L212 C213 S214 C219 A220 | L193-I216 HydrophobicContact CD1-CB 4.24Å; L193-I216 HydrophobicContact CD1-CG1 4.26Å; L193-I216 HydrophobicContact CD1-CG2 3.84Å; A196-I216 HydrophobicContact CB-CD1 4.33Å; A196-I216 HydrophobicContact CB-CG1 3.8Å; L200-I216 HydrophobicContact CD2-CD1 4.02Å; L212-I216 VanDerWaalsContact O-CG1 3.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.36Å; L212-I216 PolarHBondContact O-N 3.31Å; C213-I216 PolarHBondContact O-N 3.46Å; S214-I216 PolarHBondContact O-N 2.77Å; I216-C219 PolarHBondContact O-N 3.04Å; I216-A220 PolarHBondContact O-N 3.28Å |
| 217 | R | 98.2 | Very high | 96.8 | Very high | 173 Ų | 173 | 70 Ų | 70 | 65% | 0.653 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.4 | -49.3 | 176.7 | -170.5 | 179.2 | -62.1 | 156.4 | 2.2 | 111.3 | C213 S214 L215 C219 A220 D221 | C213-R217 PolarHBondContact O-N 3.33Å; C213-R217 VanDerWaalsContact O-N 3.11Å; S214-R217 WeakPolarHBondContact O-CB 3.32Å; S214-R217 PolarHBondContact O-N 2.99Å; L215-R217 VanDerWaalsContact C-N 3.31Å; L215-R217 PolarHBondContact O-N 3.45Å; R217-C219 VanDerWaalsContact C-N 3.3Å; R217-C219 PolarHBondContact O-N 3.11Å; R217-A220 WeakPolarHBondContact O-CB 3.37Å; R217-A220 PolarHBondContact O-N 3.04Å; R217-D221 PolarHBondContact O-N 3.32Å |
| 218 | S | 98.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | S214 L215 S222 | S214-S218 PolarHBondContact O-N 3.09Å; S214-S218 PolarHBondContact O-OG 3.26Å; L215-S218 PolarHBondContact O-N 3.5Å; S218-S222 WeakPolarHBondContact O-CB 3.32Å; S218-S222 PolarHBondContact O-N 3.4Å; S218-S222 PolarHBondContact O-OG 2.9Å |
| 219 | C | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 72.8 Ų | 72.8 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 172.7 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | V189 L193 L215 I216 R217 S222 L223 | V189-C219 HydrophobicContact CG1-CB 3.76Å; V189-C219 WeakPolarHBondContact CG1-O 3.45Å; L193-C219 HydrophobicContact CB-CB 4.2Å; L193-C219 HydrophobicContact CD1-CB 3.94Å; L215-C219 PolarHBondContact O-N 2.97Å; L215-C219 PolarHBondContact O-SG 3.28Å; L215-C219 VanDerWaalsContact O-SG 3.36Å; I216-C219 PolarHBondContact O-N 3.04Å; R217-C219 VanDerWaalsContact C-N 3.3Å; R217-C219 PolarHBondContact O-N 3.11Å; C219-S222 PolarHBondContact O-N 2.96Å; C219-L223 WeakPolarHBondContact O-CG 3.47Å; C219-L223 PolarHBondContact O-N 2.89Å |
| 220 | A | 97.7 | Very high | 95.7 | Very high | 50 Ų | 50 | 76.5 Ų | 76.5 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I216 R217 L223 R224 | I216-A220 PolarHBondContact O-N 3.28Å; R217-A220 WeakPolarHBondContact O-CB 3.37Å; R217-A220 PolarHBondContact O-N 3.04Å; A220-L223 PolarHBondContact O-N 2.98Å; A220-R224 PolarHBondContact O-N 3.44Å; A220-R224 VanDerWaalsContact O-N 3.12Å |
| 221 | D | 97.8 | Very high | 94.7 | Very high | 81 Ų | 81 | 79.9 Ų | 79.9 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.7 | -63.8 | -32.9 | 0 | 0 | 0 | 111.1 | R217 L223 R224 S225 | R217-D221 PolarHBondContact O-N 3.32Å; D221-L223 VanDerWaalsContact C-N 3.32Å; D221-L223 PolarHBondContact O-N 3.42Å; D221-R224 WeakPolarHBondContact O-CB 3.38Å; D221-R224 PolarHBondContact O-N 3.22Å; D221-R224 VanDerWaalsContact O-N 3.08Å; D221-S225 PolarHBondContact O-N 3.09Å; D221-S225 PolarHBondContact O-OG 3.43Å |
| 222 | S | 97.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 80.4 Ų | 80.4 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | S218 C219 R224 S225 L226 | S218-S222 WeakPolarHBondContact O-CB 3.32Å; S218-S222 PolarHBondContact O-N 3.4Å; S218-S222 PolarHBondContact O-OG 2.9Å; C219-S222 PolarHBondContact O-N 2.96Å; S222-R224 VanDerWaalsContact C-N 3.32Å; S222-R224 PolarHBondContact O-N 2.95Å; S222-S225 PolarHBondContact O-N 3.37Å; S222-L226 WeakPolarHBondContact O-CG 3.48Å; S222-L226 PolarHBondContact O-N 3.08Å |
| 223 | L | 96.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 83.7 Ų | 83.7 | 12% | 0.12 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.8 | -34.7 | 175.9 | -72.4 | 169.6 | 0 | 0 | 0 | 112.2 | E186 V189 L190 L193 C219 A220 D221 K227 | E186-L223 HydrophobicContact CG-CD2 3.92Å; V189-L223 HydrophobicContact CB-CD2 4.1Å; V189-L223 HydrophobicContact CB-CG 4.4Å; V189-L223 HydrophobicContact CG1-CD1 4.22Å; V189-L223 HydrophobicContact CG1-CD2 3.94Å; V189-L223 HydrophobicContact CG1-CG 3.69Å; L190-L223 HydrophobicContact CD2-CD1 3.86Å; L190-L223 HydrophobicContact CD2-CD2 4.31Å; L190-L223 HydrophobicContact CG-CD2 4.18Å; L193-L223 HydrophobicContact CD2-CD1 4.37Å; C219-L223 WeakPolarHBondContact O-CG 3.47Å; C219-L223 PolarHBondContact O-N 2.89Å; A220-L223 PolarHBondContact O-N 2.98Å; D221-L223 VanDerWaalsContact C-N 3.32Å; D221-L223 PolarHBondContact O-N 3.42Å; L223-K227 WeakPolarHBondContact O-CG 3.21Å; L223-K227 PolarHBondContact O-N 3.03Å |
| 224 | R | 96.4 | Very high | 92.4 | Very high | 165 Ų | 165 | 85 Ų | 85 | 62% | 0.623 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.4 | -49 | 174.9 | -169.8 | -176.1 | -59.1 | -166 | 2.5 | 110.6 | A220 D221 S222 L226 K227 E228 | A220-R224 PolarHBondContact O-N 3.44Å; A220-R224 VanDerWaalsContact O-N 3.12Å; D221-R224 WeakPolarHBondContact O-CB 3.38Å; D221-R224 PolarHBondContact O-N 3.22Å; D221-R224 VanDerWaalsContact O-N 3.08Å; S222-R224 VanDerWaalsContact C-N 3.32Å; S222-R224 PolarHBondContact O-N 2.95Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.48Å; R224-K227 WeakPolarHBondContact O-CB 3.37Å; R224-K227 PolarHBondContact O-N 3.04Å; R224-K227 VanDerWaalsContact O-N 3.11Å; R224-E228 WeakPolarHBondContact O-CG 2.88Å; R224-E228 PolarHBondContact O-N 3.15Å |
| 225 | S | 95.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 86.1 Ų | 86.1 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | D221 S222 K227 E228 L229 | D221-S225 PolarHBondContact O-N 3.09Å; D221-S225 PolarHBondContact O-OG 3.43Å; S222-S225 PolarHBondContact O-N 3.37Å; S225-K227 VanDerWaalsContact C-N 3.32Å; S225-K227 PolarHBondContact O-N 3.43Å; S225-E228 PolarHBondContact O-N 2.9Å; S225-L229 WeakPolarHBondContact O-CG 3.44Å; S225-L229 PolarHBondContact O-N 3.43Å; S225-L229 VanDerWaalsContact O-N 3.09Å |
| 226 | L | 93.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 87.7 Ų | 87.7 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 175 | -73.1 | 172.7 | 0 | 0 | 0 | 112.3 | L182 A185 E186 V189 S222 R224 L229 H230 | L182-L226 HydrophobicContact CD2-CD2 3.92Å; A185-L226 HydrophobicContact CB-CD1 4.17Å; A185-L226 HydrophobicContact CB-CD2 4.19Å; E186-L226 HydrophobicContact CB-CD1 4.41Å; V189-L226 HydrophobicContact CG2-CD1 4.41Å; S222-L226 WeakPolarHBondContact O-CG 3.48Å; S222-L226 PolarHBondContact O-N 3.08Å; R224-L226 VanDerWaalsContact C-N 3.33Å; R224-L226 PolarHBondContact O-N 3.48Å; L226-L229 PolarHBondContact O-N 3Å; L226-H230 PolarHBondContact O-N 3.47Å; L226-H230 VanDerWaalsContact O-N 3.08Å |
| 227 | K | 90.7 | Very high | 91.3 | Very high | 119 Ų | 119 | 90.5 Ų | 90.5 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.5 | -33.7 | 175.7 | -77.4 | -179.2 | 178.2 | 179.9 | 0 | 113.4 | L223 R224 S225 H230 Q231 | L223-K227 WeakPolarHBondContact O-CG 3.21Å; L223-K227 PolarHBondContact O-N 3.03Å; R224-K227 WeakPolarHBondContact O-CB 3.37Å; R224-K227 PolarHBondContact O-N 3.04Å; R224-K227 VanDerWaalsContact O-N 3.11Å; S225-K227 VanDerWaalsContact C-N 3.32Å; S225-K227 PolarHBondContact O-N 3.43Å; K227-H230 PolarHBondContact O-N 3.47Å; K227-Q231 PolarHBondContact O-N 3.41Å; K227-Q231 PolarHBondContact O-NE2 3.43Å |
| 228 | E | 92.4 | Very high | 90.9 | Very high | 114 Ų | 114 | 85 Ų | 85 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.9 | -71.8 | 166.5 | -173.8 | 0 | 0 | 110.2 | R224 S225 H230 Q231 S232 | R224-E228 WeakPolarHBondContact O-CG 2.88Å; R224-E228 PolarHBondContact O-N 3.15Å; S225-E228 PolarHBondContact O-N 2.9Å; E228-H230 VanDerWaalsContact C-N 3.3Å; E228-H230 PolarHBondContact O-N 3.3Å; E228-Q231 PolarHBondContact O-N 3.09Å; E228-Q231 VanDerWaalsContact O-N 3.09Å; E228-S232 PolarHBondContact O-N 2.86Å |
| 229 | L | 88.4 | Confident | 90.4 | Very high | 97 Ų | 97 | 86.9 Ų | 86.9 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.9 | -25.7 | 176.3 | -67.8 | 173.5 | 0 | 0 | 0 | 114.2 | L182 S225 L226 Q231 S232 | L182-L229 HydrophobicContact CD2-CB 4.49Å; S225-L229 WeakPolarHBondContact O-CG 3.44Å; S225-L229 PolarHBondContact O-N 3.43Å; S225-L229 VanDerWaalsContact O-N 3.09Å; L226-L229 PolarHBondContact O-N 3Å; L229-Q231 VanDerWaalsContact C-N 3.31Å; L229-S232 PolarHBondContact O-OG 3.2Å |
| 230 | H | 85 | Confident | 89.8 | Confident | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.7 | -21.7 | 173.9 | -155.1 | 154.3 | 0 | 0 | 0 | 111.8 | H179 L226 K227 E228 | H179-H230 AromaticContact CE1-NE2 3.81Å; H179-H230 AromaticContact ND1-CD2 3.9Å; H179-H230 AromaticContact ND1-NE2 3.41Å; H179-H230 PolarHBondContact ND1-NE2 2.75Å; L226-H230 PolarHBondContact O-N 3.47Å; L226-H230 VanDerWaalsContact O-N 3.08Å; K227-H230 PolarHBondContact O-N 3.47Å; E228-H230 VanDerWaalsContact C-N 3.3Å; E228-H230 PolarHBondContact O-N 3.3Å |
| 231 | Q | 76.9 | Confident | 89.1 | Confident | 168 Ų | 168 | 96.6 Ų | 96.6 | 79% | 0.785 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -93.8 | -12.6 | 180 | -76.9 | 168.6 | 78.7 | 0 | 0 | 113.6 | K227 E228 L229 | K227-Q231 PolarHBondContact O-N 3.41Å; K227-Q231 PolarHBondContact O-NE2 3.43Å; E228-Q231 PolarHBondContact O-N 3.09Å; E228-Q231 VanDerWaalsContact O-N 3.09Å; L229-Q231 VanDerWaalsContact C-N 3.31Å |
| 232 | S | 58.3 | Low | 88.4 | Confident | 139 Ų | 139 | 98 Ų | 98 | 97% | 0.972 | 50% | 0.502 | S | S | * | . | trans | -87.2 | 0 | 173.9 | 66 | 0 | 0 | 0 | 0 | 112.5 | E228 L229 | E228-S232 PolarHBondContact O-N 2.86Å; L229-S232 PolarHBondContact O-OG 3.2Å |
Retrieved 232 of 232 residues in 915.9 ms
(Link to these results)