| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 41.1 | Very low | 230 Ų | 230 | 142.7 Ų | 142.7 | 100% | 1.133 | 81% | 0.806 | S | S | * | * | 0 | 105.5 | 0 | -77.9 | 166.6 | 166.7 | 0 | 0 | 106.8 | |||||
| 2 | I | 37.3 | Very low | 43.1 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | 64.6 | 99.9 | 118.6 | -57.8 | 172.2 | 0 | 0 | 0 | 110.6 | |||||
| 3 | C | 35.8 | Very low | 42.6 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | 70 | 132 | 104.3 | -123.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 4 | V | 38.5 | Very low | 42.6 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | -168 | 150.4 | 56.5 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 5 | A | 49.8 | Very low | 42.6 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -56.1 | 159.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 6 | F | 36.3 | Very low | 42.4 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | -164.9 | 123.5 | 125.9 | -139 | -115.5 | 0 | 0 | 0 | 112.2 | I8 | F6-I8 HydrophobicContact CD1-CD1 3.8Å; F6-I8 HydrophobicContact CD1-CG1 3.63Å; F6-I8 HydrophobicContact CE1-CD1 3.87Å; F6-I8 HydrophobicContact CE1-CG1 3.84Å | |||
| 7 | C | 46.5 | Very low | 42.6 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -73.5 | 129.6 | 163.3 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 8 | I | 40.9 | Very low | 42.7 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | trans | -147.6 | 111.7 | 150.5 | -55.7 | -178.3 | 0 | 0 | 0 | 108.3 | F6 | F6-I8 HydrophobicContact CD1-CD1 3.8Å; F6-I8 HydrophobicContact CD1-CG1 3.63Å; F6-I8 HydrophobicContact CE1-CD1 3.87Å; F6-I8 HydrophobicContact CE1-CG1 3.84Å | ||
| 9 | N | 43.6 | Very low | 42.8 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -82.7 | 148.3 | 148 | -87.5 | -28.4 | 0 | 0 | 0 | 106.6 | ||||
| 10 | P | 46.8 | Very low | 43.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -151.9 | 166.9 | 64.9 | 36.6 | -14.7 | 0 | 0 | 0 | 117.6 | |||||
| 11 | D | 39.8 | Very low | 43.6 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -61.1 | -179.3 | 161 | -52.8 | -59.4 | 0 | 0 | 0 | 112.1 | ||||
| 12 | P | 65.1 | Low | 44.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -136.8 | -179.9 | -1.6 | 30.2 | -6.7 | 0 | 0 | 0 | 114.1 | ||||
| 13 | V | 36.2 | Very low | 45.6 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | 168.4 | 142.8 | 122.5 | 171.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 14 | A | 42.6 | Very low | 47 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | -75.3 | 171.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 15 | A | 42.9 | Very low | 48.4 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | 90.6 | 112.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 16 | T | 38.6 | Very low | 49.5 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | -164.9 | 147.6 | 88.4 | 34.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 17 | E | 46.1 | Very low | 51.3 | Low | 188 Ų | 188 | 118.5 Ų | 118.5 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | trans | -84.1 | 165.4 | 178.4 | -61.5 | 177.2 | 146.1 | 0 | 0 | 112.8 | ||||
| 18 | E | 43.8 | Very low | 53 | Low | 179 Ų | 179 | 119 Ų | 119 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | 145.5 | 100.6 | 146.7 | -68.6 | -145.3 | 165.4 | 0 | 0 | 108.4 | ||||
| 19 | E | 45.4 | Very low | 54.8 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 60% | 0.603 | 68% | 0.682 | S | S | * | * | 179.2 | 116.6 | 83.8 | -91.1 | -72.9 | 177.3 | 0 | 0 | 111.4 | T21 | E19-T21 PolarHBondContact OE2-OG1 3.25Š| |||
| 20 | P | 51.1 | Low | 56.8 | Low | 109 Ų | 109 | 118.8 Ų | 118.8 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | trans | -116.8 | 16.4 | 164.6 | 36.4 | -26.9 | 0 | 0 | 0 | 113.8 | ||||
| 21 | T | 50.4 | Low | 58.6 | Low | 91 Ų | 91 | 118.7 Ų | 118.7 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -90.9 | -26.4 | -165.9 | 68.8 | 0 | 0 | 0 | 0 | 115.2 | E19 A25 | E19-T21 PolarHBondContact OE2-OG1 3.25Å; T21-A25 WeakPolarHBondContact O-CB 3.23Å |
| 22 | E | 54.4 | Low | 60.8 | Low | 156 Ų | 156 | 119.9 Ų | 119.9 | 73% | 0.729 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.9 | -37.2 | -172.3 | -66.7 | -164.8 | 145.5 | 0 | 0 | 114.9 | A25 S26 | E22-A25 PolarHBondContact O-N 3.02Å; E22-S26 WeakPolarHBondContact O-CB 3.25Å; E22-S26 PolarHBondContact O-N 3.11Å |
| 23 | T | 62.3 | Low | 61.8 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75 | -42 | -173.6 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | A25 S26 H27 | T23-A25 VanDerWaalsContact C-N 3.3Å; T23-A25 PolarHBondContact O-N 3.43Å; T23-S26 WeakPolarHBondContact O-CB 3.02Å; T23-S26 PolarHBondContact O-N 3.31Å; T23-H27 PolarHBondContact O-CD2 2.97Å; T23-H27 PolarHBondContact O-N 3.25Å |
| 24 | A | 65.9 | Low | 64.2 | Low | 49 Ų | 49 | 120 Ų | 120 | 41% | 0.405 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.5 | -33.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | K28 | A24-K28 WeakPolarHBondContact O-CB 3.41Å; A24-K28 VanDerWaalsContact O-CG 3.24Å; A24-K28 WeakPolarHBondContact O-CG 3.48Å; A24-K28 PolarHBondContact O-N 3.49Å; A24-K28 VanDerWaalsContact O-N 3.15Å |
| 25 | A | 68.5 | Low | 66.4 | Low | 53 Ų | 53 | 122.1 Ų | 122.1 | 44% | 0.438 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.4 | -36.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T21 E22 T23 R29 | T21-A25 WeakPolarHBondContact O-CB 3.23Å; E22-A25 PolarHBondContact O-N 3.02Å; T23-A25 VanDerWaalsContact C-N 3.3Å; T23-A25 PolarHBondContact O-N 3.43Å; A25-R29 WeakPolarHBondContact O-CB 3.45Å; A25-R29 PolarHBondContact O-N 2.97Å |
| 26 | S | 73.3 | Confident | 68.7 | Low | 69 Ų | 69 | 123.4 Ų | 123.4 | 48% | 0.483 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.6 | -48.4 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | E22 T23 K28 R29 E30 | E22-S26 WeakPolarHBondContact O-CB 3.25Å; E22-S26 PolarHBondContact O-N 3.11Å; T23-S26 WeakPolarHBondContact O-CB 3.02Å; T23-S26 PolarHBondContact O-N 3.31Å; S26-K28 PolarHBondContact O-N 3.44Å; S26-R29 WeakPolarHBondContact O-CA 3.37Å; S26-R29 VanDerWaalsContact O-CB 3.3Å; S26-R29 WeakPolarHBondContact O-CB 3.37Å; S26-R29 PolarHBondContact O-N 2.97Å; S26-E30 PolarHBondContact O-N 2.98Å |
| 27 | H | 74 | Confident | 71.2 | Confident | 114 Ų | 114 | 124 Ų | 124 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.4 | -40.5 | 175.7 | -73.1 | -63.2 | 0 | 0 | 0 | 112.4 | T23 R29 E30 E31 | T23-H27 PolarHBondContact O-CD2 2.97Å; T23-H27 PolarHBondContact O-N 3.25Å; H27-R29 PolarHBondContact O-N 3.37Å; H27-E30 PolarHBondContact O-N 2.88Å; H27-E31 WeakPolarHBondContact O-CG 3.43Å; H27-E31 PolarHBondContact O-N 2.99Å |
| 28 | K | 81 | Confident | 73.4 | Confident | 133 Ų | 133 | 119.5 Ų | 119.5 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63 | -28 | 171.6 | -73.5 | 173.2 | -177.5 | 176.9 | 0 | 113 | A24 S26 R32 | A24-K28 WeakPolarHBondContact O-CB 3.41Å; A24-K28 VanDerWaalsContact O-CG 3.24Å; A24-K28 WeakPolarHBondContact O-CG 3.48Å; A24-K28 PolarHBondContact O-N 3.49Å; A24-K28 VanDerWaalsContact O-N 3.15Å; S26-K28 PolarHBondContact O-N 3.44Å; K28-R32 WeakPolarHBondContact O-CB 3.41Å; K28-R32 VanDerWaalsContact O-CG 3.23Å; K28-R32 WeakPolarHBondContact O-CG 3.35Å; K28-R32 PolarHBondContact O-N 3.36Å; K28-R32 PolarHBondContact O-NE 3.2Å; K28-R32 VanDerWaalsContact O-NE 3.1Å |
| 29 | R | 79.4 | Confident | 75.6 | Confident | 169 Ų | 169 | 115.7 Ų | 115.7 | 64% | 0.638 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.8 | -41.3 | 173.7 | -177.2 | -178.5 | 177.2 | -177.7 | -1 | 111 | A25 S26 H27 R32 L33 | A25-R29 WeakPolarHBondContact O-CB 3.45Å; A25-R29 PolarHBondContact O-N 2.97Å; S26-R29 WeakPolarHBondContact O-CA 3.37Å; S26-R29 VanDerWaalsContact O-CB 3.3Å; S26-R29 WeakPolarHBondContact O-CB 3.37Å; S26-R29 PolarHBondContact O-N 2.97Å; H27-R29 PolarHBondContact O-N 3.37Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 2.97Å; R29-L33 HydrophobicContact CG-CD1 4.39Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 2.86Å |
| 30 | E | 84.9 | Confident | 77.7 | Confident | 112 Ų | 112 | 112.4 Ų | 112.4 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.8 | -170.6 | 179.3 | -175.8 | 0 | 0 | 112.4 | S26 H27 R32 L33 R34 | S26-E30 PolarHBondContact O-N 2.98Å; H27-E30 PolarHBondContact O-N 2.88Å; E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.12Å; E30-L33 CarbonylContact O-C 3.54Å; E30-L33 WeakPolarHBondContact O-CB 3.27Å; E30-L33 PolarHBondContact O-N 3.42Å; E30-L33 VanDerWaalsContact O-N 3.14Å; E30-R34 PolarHBondContact O-N 2.96Å |
| 31 | E | 85.4 | Confident | 79.7 | Confident | 117 Ų | 117 | 113.9 Ų | 113.9 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 173.7 | -72.6 | 179.4 | 167.2 | 0 | 0 | 112.1 | H27 L33 R34 K35 | H27-E31 WeakPolarHBondContact O-CG 3.43Å; H27-E31 PolarHBondContact O-N 2.99Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.36Å; E31-R34 PolarHBondContact O-N 3.49Å; E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.07Å |
| 32 | R | 84.6 | Confident | 81.8 | Confident | 170 Ų | 170 | 114.7 Ų | 114.7 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 172.7 | -79.1 | -176.2 | -69.3 | 167.4 | -1.7 | 111.7 | K28 R29 E30 F36 | K28-R32 WeakPolarHBondContact O-CB 3.41Å; K28-R32 VanDerWaalsContact O-CG 3.23Å; K28-R32 WeakPolarHBondContact O-CG 3.35Å; K28-R32 PolarHBondContact O-N 3.36Å; K28-R32 PolarHBondContact O-NE 3.2Å; K28-R32 VanDerWaalsContact O-NE 3.1Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 2.97Å; E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.12Å; R32-F36 VanDerWaalsContact O-CB 3.29Å; R32-F36 WeakPolarHBondContact O-CB 3.26Å; R32-F36 PolarHBondContact O-N 3.33Å |
| 33 | L | 87.1 | Confident | 83.6 | Confident | 91 Ų | 91 | 113.5 Ų | 113.5 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -35.7 | 176.3 | -70.9 | 169.8 | 0 | 0 | 0 | 112.7 | R29 E30 E31 F36 R37 | R29-L33 HydrophobicContact CG-CD1 4.39Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 2.86Å; E30-L33 CarbonylContact O-C 3.54Å; E30-L33 WeakPolarHBondContact O-CB 3.27Å; E30-L33 PolarHBondContact O-N 3.42Å; E30-L33 VanDerWaalsContact O-N 3.14Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.36Å; L33-F36 PolarHBondContact O-N 3.1Å; L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 2.84Å |
| 34 | R | 86.8 | Confident | 85 | Confident | 164 Ų | 164 | 112.2 Ų | 112.2 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -47.6 | 173.6 | -168.8 | 179.8 | 76.1 | -166.6 | 1.2 | 110.9 | E30 E31 F36 R37 E38 | E30-R34 PolarHBondContact O-N 2.96Å; E31-R34 PolarHBondContact O-N 3.49Å; R34-F36 VanDerWaalsContact C-N 3.29Å; R34-F36 PolarHBondContact O-N 2.66Å; R34-R37 PolarHBondContact O-N 2.89Å; R34-E38 PolarHBondContact O-N 3.42Å |
| 35 | K | 89.3 | Confident | 86.4 | Confident | 137 Ų | 137 | 114.6 Ų | 114.6 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 174.5 | -173.1 | 172.6 | -177.7 | 174.3 | 0 | 111.5 | E31 E38 L39 | E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.07Å; K35-E38 PolarHBondContact O-N 3.39Å; K35-L39 HydrophobicContact CG-CD1 4.28Å; K35-L39 WeakPolarHBondContact O-CB 3.17Å; K35-L39 WeakPolarHBondContact O-CG 3.4Å; K35-L39 PolarHBondContact O-N 2.64Å |
| 36 | F | 90.3 | Very high | 87.5 | Confident | 117 Ų | 117 | 114.2 Ų | 114.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 174.7 | -176.1 | -107.2 | 0 | 0 | 0 | 112.2 | R32 L33 R34 E38 L39 H40 | R32-F36 VanDerWaalsContact O-CB 3.29Å; R32-F36 WeakPolarHBondContact O-CB 3.26Å; R32-F36 PolarHBondContact O-N 3.33Å; L33-F36 PolarHBondContact O-N 3.1Å; R34-F36 VanDerWaalsContact C-N 3.29Å; R34-F36 PolarHBondContact O-N 2.66Å; F36-E38 VanDerWaalsContact C-N 3.35Å; F36-E38 PolarHBondContact O-N 2.94Å; F36-L39 PolarHBondContact O-N 3.32Å; F36-H40 AromaticContact CD1-CD2 3.55Å; F36-H40 AromaticContact CD1-NE2 3.86Å; F36-H40 AromaticContact CE1-CD2 3.33Å; F36-H40 WeakPolarHBondContact CE1-CD2 3.49Å; F36-H40 AromaticContact CE1-NE2 3.14Å; F36-H40 WeakPolarHBondContact CE1-NE2 3.4Å; F36-H40 AromaticContact CE2-CD2 3.82Å; F36-H40 AromaticContact CE2-NE2 3.38Å; F36-H40 WeakPolarHBondContact CE2-NE2 3.21Å; F36-H40 AromaticContact CG-CD2 3.92Å; F36-H40 AromaticContact CZ-CD2 3.5Å; F36-H40 VanDerWaalsContact CZ-CD2 3.5Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.24Å; F36-H40 AromaticContact CZ-NE2 2.87Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.47Å; F36-H40 PolarHBondContact O-CD2 3.15Å; F36-H40 PolarHBondContact O-N 3.29Å |
| 37 | R | 91 | Very high | 88.4 | Confident | 159 Ų | 159 | 117.4 Ų | 117.4 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 174.6 | -76.2 | -176.8 | -76.7 | 170.2 | -5.6 | 112.3 | L33 R34 H40 F41 | L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 2.84Å; R34-R37 PolarHBondContact O-N 2.89Å; R37-H40 WeakPolarHBondContact O-CB 3.21Å; R37-H40 PolarHBondContact O-N 3.47Å; R37-F41 PolarHBondContact O-N 3.17Å |
| 38 | E | 92.4 | Very high | 89.5 | Confident | 93 Ų | 93 | 119.1 Ų | 119.1 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.8 | -171.3 | -170 | 160.1 | 0 | 0 | 111.6 | R34 K35 F36 H40 F41 K42 | R34-E38 PolarHBondContact O-N 3.42Å; K35-E38 PolarHBondContact O-N 3.39Å; F36-E38 VanDerWaalsContact C-N 3.35Å; F36-E38 PolarHBondContact O-N 2.94Å; E38-H40 VanDerWaalsContact C-N 3.31Å; E38-H40 PolarHBondContact O-N 3.33Å; E38-F41 WeakPolarHBondContact O-CB 3.36Å; E38-F41 PolarHBondContact O-N 3.48Å; E38-K42 HydrophobicContact CG-CD 4.49Å; E38-K42 WeakPolarHBondContact O-CG 3.44Å; E38-K42 PolarHBondContact O-N 3.28Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 2.66Å; E38-K42 PolarHBondContact OE1-NZ 3.26Å |
| 39 | L | 90.1 | Very high | 90.1 | Very high | 99 Ų | 99 | 116.7 Ų | 116.7 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 175.2 | -72 | 170.7 | 0 | 0 | 0 | 111.8 | K35 F36 R43 | K35-L39 HydrophobicContact CG-CD1 4.28Å; K35-L39 WeakPolarHBondContact O-CB 3.17Å; K35-L39 WeakPolarHBondContact O-CG 3.4Å; K35-L39 PolarHBondContact O-N 2.64Å; F36-L39 PolarHBondContact O-N 3.32Å; L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.47Å; L39-R43 PolarHBondContact O-N 3.06Å |
| 40 | H | 90.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 113.8 Ų | 113.8 | 28% | 0.278 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 173 | -90.3 | -74.5 | 0 | 0 | 0 | 112.5 | F36 R37 E38 R43 N44 | F36-H40 AromaticContact CD1-CD2 3.55Å; F36-H40 AromaticContact CD1-NE2 3.86Å; F36-H40 AromaticContact CE1-CD2 3.33Å; F36-H40 WeakPolarHBondContact CE1-CD2 3.49Å; F36-H40 AromaticContact CE1-NE2 3.14Å; F36-H40 WeakPolarHBondContact CE1-NE2 3.4Å; F36-H40 AromaticContact CE2-CD2 3.82Å; F36-H40 AromaticContact CE2-NE2 3.38Å; F36-H40 WeakPolarHBondContact CE2-NE2 3.21Å; F36-H40 AromaticContact CG-CD2 3.92Å; F36-H40 AromaticContact CZ-CD2 3.5Å; F36-H40 VanDerWaalsContact CZ-CD2 3.5Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.24Å; F36-H40 AromaticContact CZ-NE2 2.87Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.47Å; F36-H40 PolarHBondContact O-CD2 3.15Å; F36-H40 PolarHBondContact O-N 3.29Å; R37-H40 WeakPolarHBondContact O-CB 3.21Å; R37-H40 PolarHBondContact O-N 3.47Å; E38-H40 VanDerWaalsContact C-N 3.31Å; E38-H40 PolarHBondContact O-N 3.33Å; H40-R43 PolarHBondContact CE1-NH2 3.35Å; H40-R43 PolarHBondContact ND1-NH2 3.42Å; H40-R43 PolarHBondContact O-N 3.1Å; H40-N44 PolarHBondContact O-N 3.43Å; H40-N44 PolarHBondContact O-ND2 3.42Å; H40-N44 PolarHBondContact O-OD1 2.92Å |
| 41 | F | 92.9 | Very high | 91.2 | Very high | 140 Ų | 140 | 114.6 Ų | 114.6 | 61% | 0.614 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -49.5 | 176.3 | -170.7 | -91.4 | 0 | 0 | 0 | 111.2 | R37 E38 R43 N44 E45 | R37-F41 PolarHBondContact O-N 3.17Å; E38-F41 WeakPolarHBondContact O-CB 3.36Å; E38-F41 PolarHBondContact O-N 3.48Å; F41-R43 VanDerWaalsContact C-N 3.29Å; F41-R43 PolarHBondContact O-N 3.5Å; F41-N44 WeakPolarHBondContact O-CA 3.37Å; F41-N44 WeakPolarHBondContact O-CB 3.49Å; F41-N44 PolarHBondContact O-N 3.08Å; F41-E45 WeakPolarHBondContact O-CB 3.26Å; F41-E45 PolarHBondContact O-N 3.25Å |
| 42 | K | 93.7 | Very high | 91.7 | Very high | 108 Ų | 108 | 114 Ų | 114 | 47% | 0.47 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 175.1 | -71.3 | 179.8 | -177.1 | 173.3 | 0 | 112.3 | E38 N44 E45 A46 | E38-K42 HydrophobicContact CG-CD 4.49Å; E38-K42 WeakPolarHBondContact O-CG 3.44Å; E38-K42 PolarHBondContact O-N 3.28Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 2.66Å; E38-K42 PolarHBondContact OE1-NZ 3.26Å; K42-N44 VanDerWaalsContact C-N 3.34Å; K42-N44 PolarHBondContact O-N 3.15Å; K42-E45 PolarHBondContact O-N 3.29Å; K42-A46 VanDerWaalsContact O-CB 3.28Å; K42-A46 WeakPolarHBondContact O-CB 3.37Å; K42-A46 PolarHBondContact O-N 3.33Å |
| 43 | R | 93 | Very high | 92.1 | Very high | 131 Ų | 131 | 111.1 Ų | 111.1 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 174.2 | -169.7 | -174.3 | 72.4 | 174.4 | 5.4 | 112 | L39 H40 F41 R47 | L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.47Å; L39-R43 PolarHBondContact O-N 3.06Å; H40-R43 PolarHBondContact CE1-NH2 3.35Å; H40-R43 PolarHBondContact ND1-NH2 3.42Å; H40-R43 PolarHBondContact O-N 3.1Å; F41-R43 VanDerWaalsContact C-N 3.29Å; F41-R43 PolarHBondContact O-N 3.5Å; R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.37Å; R43-R47 PolarHBondContact O-N 3.01Å; R43-R47 VanDerWaalsContact O-N 3.07Å; R43-R47 PolarHBondContact O-NE 2.84Å |
| 44 | N | 91.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 111.1 Ų | 111.1 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.3 | -41.4 | 177.2 | -67 | -8.9 | 0 | 0 | 0 | 111.3 | H40 F41 K42 R47 K48 | H40-N44 PolarHBondContact O-N 3.43Å; H40-N44 PolarHBondContact O-ND2 3.42Å; H40-N44 PolarHBondContact O-OD1 2.92Å; F41-N44 WeakPolarHBondContact O-CA 3.37Å; F41-N44 WeakPolarHBondContact O-CB 3.49Å; F41-N44 PolarHBondContact O-N 3.08Å; K42-N44 VanDerWaalsContact C-N 3.34Å; K42-N44 PolarHBondContact O-N 3.15Å; N44-R47 PolarHBondContact O-N 3.06Å; N44-R47 PolarHBondContact OD1-NH2 3.1Å; N44-K48 PolarHBondContact O-N 3.3Å |
| 45 | E | 94.4 | Very high | 92.9 | Very high | 99 Ų | 99 | 105.7 Ų | 105.7 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -51.3 | 174.8 | -175.1 | 176.3 | -168.8 | 0 | 0 | 111 | F41 K42 R47 K48 L49 | F41-E45 WeakPolarHBondContact O-CB 3.26Å; F41-E45 PolarHBondContact O-N 3.25Å; K42-E45 PolarHBondContact O-N 3.29Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 2.8Å; E45-K48 PolarHBondContact O-N 3.24Å; E45-L49 HydrophobicContact CG-CD1 4.13Å; E45-L49 WeakPolarHBondContact O-CG 3.2Å; E45-L49 PolarHBondContact O-N 3.49Å |
| 46 | A | 93.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 103.5 Ų | 103.5 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K42 K48 N50 | K42-A46 VanDerWaalsContact O-CB 3.28Å; K42-A46 WeakPolarHBondContact O-CB 3.37Å; K42-A46 PolarHBondContact O-N 3.33Å; A46-K48 PolarHBondContact O-N 2.83Å; A46-N50 VanDerWaalsContact O-CB 3.29Å; A46-N50 WeakPolarHBondContact O-CB 3.41Å; A46-N50 PolarHBondContact O-N 2.84Å; A46-N50 PolarHBondContact O-ND2 3.4Å; A46-N50 PolarHBondContact O-OD1 3.27Å |
| 47 | R | 92.2 | Very high | 92.8 | Very high | 137 Ų | 137 | 103.5 Ų | 103.5 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.4 | -79.5 | -172.3 | -71.8 | 167.7 | -5.3 | 112.8 | R43 N44 E45 H51 | R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.37Å; R43-R47 PolarHBondContact O-N 3.01Å; R43-R47 VanDerWaalsContact O-N 3.07Å; R43-R47 PolarHBondContact O-NE 2.84Å; N44-R47 PolarHBondContact O-N 3.06Å; N44-R47 PolarHBondContact OD1-NH2 3.1Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 2.8Å; R47-H51 WeakPolarHBondContact O-CB 3.47Å; R47-H51 PolarHBondContact O-N 3.23Å; R47-H51 VanDerWaalsContact O-N 3.1Å |
| 48 | K | 95.5 | Very high | 92.8 | Very high | 150 Ų | 150 | 100.5 Ų | 100.5 | 65% | 0.652 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.3 | -47.2 | 177.6 | -84.3 | -178.5 | 173.9 | -178.2 | 0 | 111.9 | N44 E45 A46 H51 Q52 | N44-K48 PolarHBondContact O-N 3.3Å; E45-K48 PolarHBondContact O-N 3.24Å; A46-K48 PolarHBondContact O-N 2.83Å; K48-H51 PolarHBondContact O-N 3.48Å; K48-Q52 WeakPolarHBondContact O-CG 3.5Å; K48-Q52 PolarHBondContact O-N 3.4Å |
| 49 | L | 94.6 | Very high | 92.6 | Very high | 82 Ų | 82 | 101.9 Ų | 101.9 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 178.9 | -67.5 | 174.2 | 0 | 0 | 0 | 110.6 | E45 H51 Q52 E53 | E45-L49 HydrophobicContact CG-CD1 4.13Å; E45-L49 WeakPolarHBondContact O-CG 3.2Å; E45-L49 PolarHBondContact O-N 3.49Å; L49-H51 VanDerWaalsContact C-N 3.27Å; L49-H51 PolarHBondContact O-N 3.41Å; L49-Q52 WeakPolarHBondContact O-CB 3.39Å; L49-Q52 PolarHBondContact O-N 3.08Å; L49-Q52 VanDerWaalsContact O-N 3.09Å; L49-E53 WeakPolarHBondContact O-CG 3.39Å; L49-E53 PolarHBondContact O-N 2.88Å |
| 50 | N | 94.1 | Very high | 92.4 | Very high | 108 Ų | 108 | 105.9 Ų | 105.9 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59 | -39.7 | 176.3 | -68.5 | -6.7 | 0 | 0 | 0 | 112.1 | A46 V54 | A46-N50 VanDerWaalsContact O-CB 3.29Å; A46-N50 WeakPolarHBondContact O-CB 3.41Å; A46-N50 PolarHBondContact O-N 2.84Å; A46-N50 PolarHBondContact O-ND2 3.4Å; A46-N50 PolarHBondContact O-OD1 3.27Å; N50-V54 WeakPolarHBondContact O-CB 3.47Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.28Å |
| 51 | H | 93.7 | Very high | 92.1 | Very high | 128 Ų | 128 | 110 Ų | 110 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 176.4 | -179.1 | 58.8 | 0 | 0 | 0 | 112.4 | R47 K48 L49 V55 | R47-H51 WeakPolarHBondContact O-CB 3.47Å; R47-H51 PolarHBondContact O-N 3.23Å; R47-H51 VanDerWaalsContact O-N 3.1Å; K48-H51 PolarHBondContact O-N 3.48Å; L49-H51 VanDerWaalsContact C-N 3.27Å; L49-H51 PolarHBondContact O-N 3.41Å; H51-V55 WeakPolarHBondContact O-CB 3.41Å; H51-V55 VanDerWaalsContact O-CG2 3.23Å; H51-V55 WeakPolarHBondContact O-CG2 3.47Å; H51-V55 PolarHBondContact O-N 3.32Å |
| 52 | Q | 95.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 111.4 Ų | 111.4 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 175.6 | -74.2 | 171.6 | -14 | 0 | 0 | 111.2 | K48 L49 V54 V55 E56 | K48-Q52 WeakPolarHBondContact O-CG 3.5Å; K48-Q52 PolarHBondContact O-N 3.4Å; L49-Q52 WeakPolarHBondContact O-CB 3.39Å; L49-Q52 PolarHBondContact O-N 3.08Å; L49-Q52 VanDerWaalsContact O-N 3.09Å; Q52-V54 PolarHBondContact O-N 3.13Å; Q52-V55 PolarHBondContact O-N 3.06Å; Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 3.43Å |
| 53 | E | 93.3 | Very high | 91.5 | Very high | 111 Ų | 111 | 109.6 Ų | 109.6 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 177.5 | -67.9 | -65 | 160.2 | 0 | 0 | 111.6 | L49 V55 E56 E57 | L49-E53 WeakPolarHBondContact O-CG 3.39Å; L49-E53 PolarHBondContact O-N 2.88Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 3.26Å; E53-E56 PolarHBondContact O-N 2.8Å; E53-E56 VanDerWaalsContact O-N 3.1Å; E53-E57 WeakPolarHBondContact O-CG 3.28Å; E53-E57 PolarHBondContact O-N 3.14Å |
| 54 | V | 95.1 | Very high | 91.1 | Very high | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 176.9 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | N50 Q52 D58 | N50-V54 WeakPolarHBondContact O-CB 3.47Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.28Å; Q52-V54 PolarHBondContact O-N 3.13Å; V54-D58 WeakPolarHBondContact O-CB 3.22Å; V54-D58 PolarHBondContact O-N 3.49Å |
| 55 | V | 94.2 | Very high | 90.5 | Very high | 50 Ų | 50 | 110.1 Ų | 110.1 | 30% | 0.303 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 177 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | H51 Q52 E53 K59 | H51-V55 WeakPolarHBondContact O-CB 3.41Å; H51-V55 VanDerWaalsContact O-CG2 3.23Å; H51-V55 WeakPolarHBondContact O-CG2 3.47Å; H51-V55 PolarHBondContact O-N 3.32Å; Q52-V55 PolarHBondContact O-N 3.06Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 3.26Å; V55-K59 HydrophobicContact CG1-CD 4.28Å; V55-K59 WeakPolarHBondContact O-CB 3.33Å; V55-K59 VanDerWaalsContact O-CG 3.22Å; V55-K59 WeakPolarHBondContact O-CG 3.46Å; V55-K59 PolarHBondContact O-N 2.84Å |
| 56 | E | 90.4 | Very high | 90.1 | Very high | 92 Ų | 92 | 110.5 Ų | 110.5 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.5 | -38.2 | 176 | -73 | -173.3 | -171.2 | 0 | 0 | 112.4 | Q52 E53 K59 R60 | Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 3.43Å; E53-E56 PolarHBondContact O-N 2.8Å; E53-E56 VanDerWaalsContact O-N 3.1Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 2.86Å; E56-R60 WeakPolarHBondContact O-CG 3.23Å; E56-R60 PolarHBondContact O-N 3.49Å |
| 57 | E | 88.2 | Confident | 89.7 | Confident | 116 Ų | 116 | 113.8 Ų | 113.8 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.6 | -46.4 | 171.3 | -72.7 | -169.5 | 153.1 | 0 | 0 | 111.6 | E53 K59 R60 L61 | E53-E57 WeakPolarHBondContact O-CG 3.28Å; E53-E57 PolarHBondContact O-N 3.14Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.2Å; E57-R60 WeakPolarHBondContact O-CB 3.33Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 VanDerWaalsContact O-N 3.11Å; E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 3.16Å |
| 58 | D | 90.3 | Very high | 89.4 | Confident | 97 Ų | 97 | 114.7 Ų | 114.7 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60 | -41.3 | 175.1 | -176.2 | 65 | 0 | 0 | 0 | 111.8 | V54 R60 L61 K62 | V54-D58 WeakPolarHBondContact O-CB 3.22Å; V54-D58 PolarHBondContact O-N 3.49Å; D58-R60 PolarHBondContact O-N 2.91Å; D58-L61 PolarHBondContact O-N 3.43Å; D58-K62 VanDerWaalsContact O-CB 3.29Å; D58-K62 WeakPolarHBondContact O-CB 3.29Å; D58-K62 PolarHBondContact O-N 3.23Å |
| 59 | K | 89.1 | Confident | 89 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 53% | 0.53 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.3 | -44.7 | 172.9 | -74.5 | 168.2 | -175.5 | 171.8 | 0 | 111.7 | V55 E56 E57 K62 L63 | V55-K59 HydrophobicContact CG1-CD 4.28Å; V55-K59 WeakPolarHBondContact O-CB 3.33Å; V55-K59 VanDerWaalsContact O-CG 3.22Å; V55-K59 WeakPolarHBondContact O-CG 3.46Å; V55-K59 PolarHBondContact O-N 2.84Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 2.86Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.2Å; K59-K62 PolarHBondContact O-N 2.8Å; K59-L63 VanDerWaalsContact O-CD1 3.26Å; K59-L63 WeakPolarHBondContact O-CD1 3.48Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.45Å |
| 60 | R | 84.4 | Confident | 88.5 | Confident | 182 Ų | 182 | 112.7 Ų | 112.7 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.1 | -40.9 | 176.6 | -75.5 | 176.8 | 178.1 | 179.6 | 4.2 | 112.1 | E56 E57 D58 L63 | E56-R60 WeakPolarHBondContact O-CG 3.23Å; E56-R60 PolarHBondContact O-N 3.49Å; E57-R60 WeakPolarHBondContact O-CB 3.33Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 VanDerWaalsContact O-N 3.11Å; D58-R60 PolarHBondContact O-N 2.91Å; R60-L63 PolarHBondContact O-N 3.28Å |
| 61 | L | 84.4 | Confident | 88.3 | Confident | 147 Ų | 147 | 112.8 Ų | 112.8 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.9 | -36 | 177.3 | -69.8 | 172.6 | 0 | 0 | 0 | 112.5 | E57 D58 L63 | E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 3.16Å; D58-L61 PolarHBondContact O-N 3.43Å; L61-L63 VanDerWaalsContact C-N 3.32Å |
| 62 | K | 87.4 | Confident | 88.1 | Confident | 170 Ų | 170 | 110.1 Ų | 110.1 | 74% | 0.739 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -77.5 | -17.8 | 178.8 | -167.4 | 168.1 | -175.7 | 173.7 | 0 | 113.3 | D58 K59 | D58-K62 VanDerWaalsContact O-CB 3.29Å; D58-K62 WeakPolarHBondContact O-CB 3.29Å; D58-K62 PolarHBondContact O-N 3.23Å; K59-K62 PolarHBondContact O-N 2.8Å |
| 63 | L | 85.9 | Confident | 87.8 | Confident | 70 Ų | 70 | 112.9 Ų | 112.9 | 37% | 0.366 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -70.4 | 129.3 | 177.7 | -81.2 | 157 | 0 | 0 | 0 | 110.2 | K59 R60 L61 W67 | K59-L63 VanDerWaalsContact O-CD1 3.26Å; K59-L63 WeakPolarHBondContact O-CD1 3.48Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.45Å; R60-L63 PolarHBondContact O-N 3.28Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L63-W67 HydrophobicContact CD2-CB 3.99Å; L63-W67 HydrophobicContact CD2-CD2 3.54Å; L63-W67 HydrophobicContact CD2-CE3 4.22Å; L63-W67 HydrophobicContact CD2-CG 3.4Å; L63-W67 VanDerWaalsContact CD2-CG 3.4Å; L63-W67 HydrophobicContact CD2-CZ2 4.48Å |
| 64 | P | 85.8 | Confident | 87.6 | Confident | 76 Ų | 76 | 111.6 Ų | 111.6 | 49% | 0.494 | 56% | 0.559 | S | S | . | * | trans | -57.6 | 141.1 | 171.4 | -27 | 37 | 0 | 0 | 0 | 111.1 | N66 W67 | P64-N66 WeakPolarHBondContact CB-OD1 3.41Å; P64-N66 PolarHBondContact O-N 2.84Å; P64-W67 WeakPolarHBondContact O-CB 3.3Å; P64-W67 PolarHBondContact O-N 3.3Å | ||
| 65 | S | 79.2 | Confident | 87.5 | Confident | 136 Ų | 136 | 112 Ų | 112 | 95% | 0.951 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -21.6 | 178.8 | 166.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 66 | N | 86 | Confident | 87.4 | Confident | 107 Ų | 107 | 116.5 Ų | 116.5 | 57% | 0.572 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 9.3 | 177.7 | 60.9 | -9.4 | 0 | 0 | 0 | 114.3 | P64 A69 K70 | P64-N66 WeakPolarHBondContact CB-OD1 3.41Å; P64-N66 PolarHBondContact O-N 2.84Å; N66-A69 PolarHBondContact O-N 3.22Å; N66-K70 WeakPolarHBondContact O-CB 3.43Å; N66-K70 PolarHBondContact O-N 3.48Å |
| 67 | W | 85 | Confident | 87.3 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -45.8 | -176.6 | 175.3 | -105.7 | 0 | 0 | 0 | 113.4 | L63 P64 A69 K70 K71 | L63-W67 HydrophobicContact CD2-CB 3.99Å; L63-W67 HydrophobicContact CD2-CD2 3.54Å; L63-W67 HydrophobicContact CD2-CE3 4.22Å; L63-W67 HydrophobicContact CD2-CG 3.4Å; L63-W67 VanDerWaalsContact CD2-CG 3.4Å; L63-W67 HydrophobicContact CD2-CZ2 4.48Å; P64-W67 WeakPolarHBondContact O-CB 3.3Å; P64-W67 PolarHBondContact O-N 3.3Å; W67-A69 PolarHBondContact O-N 3.06Å; W67-K70 CarbonylContact O-C 3.54Å; W67-K70 WeakPolarHBondContact O-CB 3.45Å; W67-K70 PolarHBondContact O-N 2.87Å; W67-K70 VanDerWaalsContact O-N 3.15Å; W67-K71 WeakPolarHBondContact O-CB 3.4Å; W67-K71 PolarHBondContact O-N 3.13Å |
| 68 | E | 85.6 | Confident | 87.5 | Confident | 155 Ų | 155 | 114.9 Ų | 114.9 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -45.6 | 179.6 | -68 | 177.9 | 179.9 | 0 | 0 | 111.2 | K70 K71 S72 | E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 2.94Å; E68-K71 VanDerWaalsContact O-N 3.13Å; E68-S72 PolarHBondContact O-N 2.86Å; E68-S72 PolarHBondContact O-OG 2.94Å |
| 69 | A | 86.3 | Confident | 87.6 | Confident | 70 Ų | 70 | 112.4 Ų | 112.4 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.4 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N66 W67 R73 | N66-A69 PolarHBondContact O-N 3.22Å; W67-A69 PolarHBondContact O-N 3.06Å; A69-R73 VanDerWaalsContact O-CB 3.29Å; A69-R73 WeakPolarHBondContact O-CB 3.42Å; A69-R73 PolarHBondContact O-N 3.42Å |
| 70 | K | 85.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 108 Ų | 108 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 175 | -171.9 | 177.8 | -179.5 | -179.5 | 0 | 111.6 | N66 W67 E68 R73 L74 | N66-K70 WeakPolarHBondContact O-CB 3.43Å; N66-K70 PolarHBondContact O-N 3.48Å; W67-K70 CarbonylContact O-C 3.54Å; W67-K70 WeakPolarHBondContact O-CB 3.45Å; W67-K70 PolarHBondContact O-N 2.87Å; W67-K70 VanDerWaalsContact O-N 3.15Å; E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.96Å; K70-R73 PolarHBondContact O-N 3.42Å; K70-L74 HydrophobicContact CG-CD1 4.38Å; K70-L74 WeakPolarHBondContact O-CG 3.39Å; K70-L74 PolarHBondContact O-N 3.18Å |
| 71 | K | 89.9 | Confident | 87.8 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -51.2 | 177.1 | -174.2 | -176.6 | 174.2 | -163.5 | 0 | 111.2 | W67 E68 R73 L74 E75 | W67-K71 WeakPolarHBondContact O-CB 3.4Å; W67-K71 PolarHBondContact O-N 3.13Å; E68-K71 PolarHBondContact O-N 2.94Å; E68-K71 VanDerWaalsContact O-N 3.13Å; K71-R73 PolarHBondContact O-N 2.99Å; K71-L74 PolarHBondContact O-N 2.92Å; K71-L74 VanDerWaalsContact O-N 3.07Å; K71-E75 WeakPolarHBondContact CE-OE1 3.39Å; K71-E75 IonicContact NZ-OE1 2.7Å; K71-E75 WeakPolarHBondContact O-CG 3.48Å; K71-E75 PolarHBondContact O-N 2.94Å |
| 72 | S | 89.1 | Confident | 88.1 | Confident | 71 Ų | 71 | 101.2 Ų | 101.2 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 175.8 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | E68 W76 | E68-S72 PolarHBondContact O-N 2.86Å; E68-S72 PolarHBondContact O-OG 2.94Å; S72-W76 VanDerWaalsContact O-CB 3.31Å; S72-W76 WeakPolarHBondContact O-CB 3.44Å; S72-W76 PolarHBondContact O-N 3Å |
| 73 | R | 88.6 | Confident | 88.1 | Confident | 162 Ų | 162 | 97 Ų | 97 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -45.9 | 174.6 | 179.9 | 179.2 | 168.6 | -173.2 | -3.9 | 112 | A69 K70 K71 W76 E77 | A69-R73 VanDerWaalsContact O-CB 3.29Å; A69-R73 WeakPolarHBondContact O-CB 3.42Å; A69-R73 PolarHBondContact O-N 3.42Å; K70-R73 PolarHBondContact O-N 3.42Å; K71-R73 PolarHBondContact O-N 2.99Å; R73-W76 PolarHBondContact O-N 3.18Å; R73-E77 IonicContact CZ-OE1 3.77Å; R73-E77 IonicContact NE-OE1 3.39Å; R73-E77 PolarHBondContact NE-OE1 2.87Å; R73-E77 IonicContact NH2-OE1 3.59Å; R73-E77 PolarHBondContact NH2-OE1 3.48Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.46Å |
| 74 | L | 90 | Very high | 88.3 | Confident | 84 Ų | 84 | 97.3 Ų | 97.3 | 44% | 0.44 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.5 | -73.9 | 167.5 | 0 | 0 | 0 | 111.6 | K70 K71 W76 E77 L78 | K70-L74 HydrophobicContact CG-CD1 4.38Å; K70-L74 WeakPolarHBondContact O-CG 3.39Å; K70-L74 PolarHBondContact O-N 3.18Å; K71-L74 PolarHBondContact O-N 2.92Å; K71-L74 VanDerWaalsContact O-N 3.07Å; L74-W76 VanDerWaalsContact C-N 3.31Å; L74-W76 PolarHBondContact O-N 3.26Å; L74-E77 PolarHBondContact O-N 2.9Å; L74-L78 WeakPolarHBondContact O-CB 3.27Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 3.03Å |
| 75 | E | 92.8 | Very high | 88.6 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.6 | -72.4 | 173 | 169.9 | 0 | 0 | 111.5 | K71 L78 A79 | K71-E75 WeakPolarHBondContact CE-OE1 3.39Å; K71-E75 IonicContact NZ-OE1 2.7Å; K71-E75 WeakPolarHBondContact O-CG 3.48Å; K71-E75 PolarHBondContact O-N 2.94Å; E75-L78 PolarHBondContact O-N 3.21Å; E75-A79 WeakPolarHBondContact O-CB 3.45Å; E75-A79 PolarHBondContact O-N 2.79Å |
| 76 | W | 90.9 | Very high | 89.1 | Confident | 144 Ų | 144 | 99.8 Ų | 99.8 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 175.3 | -179.6 | 83.4 | 0 | 0 | 0 | 112.7 | S72 R73 L74 A79 E80 | S72-W76 VanDerWaalsContact O-CB 3.31Å; S72-W76 WeakPolarHBondContact O-CB 3.44Å; S72-W76 PolarHBondContact O-N 3Å; R73-W76 PolarHBondContact O-N 3.18Å; L74-W76 VanDerWaalsContact C-N 3.31Å; L74-W76 PolarHBondContact O-N 3.26Å; W76-A79 PolarHBondContact O-N 3.5Å; W76-E80 HydrophobicContact CD2-CG 4.31Å; W76-E80 HydrophobicContact CH2-CG 3.97Å; W76-E80 VanDerWaalsContact CH2-OE2 3.27Å; W76-E80 WeakPolarHBondContact CH2-OE2 3.49Å; W76-E80 HydrophobicContact CZ2-CG 3.75Å; W76-E80 WeakPolarHBondContact CZ2-OE1 3.31Å; W76-E80 HydrophobicContact CZ3-CG 4.35Å; W76-E80 PolarHBondContact O-N 2.92Å |
| 77 | E | 88.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 95.3 Ų | 95.3 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176 | -74.7 | 173.3 | -176.9 | 0 | 0 | 111.1 | R73 L74 E80 D81 | R73-E77 IonicContact CZ-OE1 3.77Å; R73-E77 IonicContact NE-OE1 3.39Å; R73-E77 PolarHBondContact NE-OE1 2.87Å; R73-E77 IonicContact NH2-OE1 3.59Å; R73-E77 PolarHBondContact NH2-OE1 3.48Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.46Å; L74-E77 PolarHBondContact O-N 2.9Å; E77-E80 PolarHBondContact O-N 3.19Å; E77-D81 PolarHBondContact O-N 3.2Å |
| 78 | L | 93.4 | Very high | 89.3 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 175.1 | -72.2 | 173.2 | 0 | 0 | 0 | 112 | L74 E75 E80 D81 E82 | L74-L78 WeakPolarHBondContact O-CB 3.27Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 3.03Å; E75-L78 PolarHBondContact O-N 3.21Å; L78-E80 PolarHBondContact O-N 3.42Å; L78-D81 PolarHBondContact O-N 2.91Å; L78-E82 WeakPolarHBondContact O-CG 3.32Å; L78-E82 PolarHBondContact O-N 3.35Å |
| 79 | A | 91.1 | Very high | 89.6 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E75 W76 D81 K83 | E75-A79 WeakPolarHBondContact O-CB 3.45Å; E75-A79 PolarHBondContact O-N 2.79Å; W76-A79 PolarHBondContact O-N 3.5Å; A79-D81 VanDerWaalsContact C-N 3.34Å; A79-K83 WeakPolarHBondContact O-CG 3.08Å; A79-K83 PolarHBondContact O-N 3Å |
| 80 | E | 89.6 | Confident | 89.7 | Confident | 30 Ų | 30 | 94 Ų | 94 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 172.6 | -82 | -144.5 | 136.7 | 0 | 0 | 111.8 | W76 E77 L78 K83 K84 Y94 K98 | W76-E80 HydrophobicContact CD2-CG 4.31Å; W76-E80 HydrophobicContact CH2-CG 3.97Å; W76-E80 VanDerWaalsContact CH2-OE2 3.27Å; W76-E80 WeakPolarHBondContact CH2-OE2 3.49Å; W76-E80 HydrophobicContact CZ2-CG 3.75Å; W76-E80 WeakPolarHBondContact CZ2-OE1 3.31Å; W76-E80 HydrophobicContact CZ3-CG 4.35Å; W76-E80 PolarHBondContact O-N 2.92Å; E77-E80 PolarHBondContact O-N 3.19Å; L78-E80 PolarHBondContact O-N 3.42Å; E80-K83 PolarHBondContact O-N 3.18Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 3.2Å; E80-Y94 WeakPolarHBondContact CG-OH 3.29Å; E80-Y94 PolarHBondContact OE1-OH 2.65Å; E80-K98 IonicContact OE1-NZ 2.8Å; E80-K98 PolarHBondContact OE1-NZ 3.25Å |
| 81 | D | 88.1 | Confident | 89.8 | Confident | 72 Ų | 72 | 91.6 Ų | 91.6 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72 | -34.5 | -179.7 | -76 | -13.1 | 0 | 0 | 0 | 112.7 | E77 L78 A79 K84 K85 | E77-D81 PolarHBondContact O-N 3.2Å; L78-D81 PolarHBondContact O-N 2.91Å; A79-D81 VanDerWaalsContact C-N 3.34Å; D81-K84 PolarHBondContact O-N 3.12Å; D81-K84 IonicContact OD1-NZ 3.02Å; D81-K84 PolarHBondContact OD1-NZ 2.98Å; D81-K85 VanDerWaalsContact O-CG 3.29Å; D81-K85 WeakPolarHBondContact O-CG 3.47Å; D81-K85 PolarHBondContact O-N 3.14Å |
| 82 | E | 91.5 | Very high | 89.7 | Confident | 114 Ų | 114 | 91.1 Ų | 91.1 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 169.8 | -76.1 | 175.3 | 177.9 | 0 | 0 | 110.9 | L78 K84 K85 E86 | L78-E82 WeakPolarHBondContact O-CG 3.32Å; L78-E82 PolarHBondContact O-N 3.35Å; E82-K84 VanDerWaalsContact C-N 3.29Å; E82-K84 PolarHBondContact O-N 2.98Å; E82-K85 WeakPolarHBondContact O-CB 3.26Å; E82-K85 PolarHBondContact O-N 2.9Å; E82-E86 WeakPolarHBondContact O-CG 3.23Å; E82-E86 PolarHBondContact O-N 3.25Å |
| 83 | K | 88.1 | Confident | 89.5 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 35% | 0.352 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 175.8 | -76.5 | -166.9 | 172.1 | -153.3 | 0 | 112.9 | A79 E80 E86 C87 Y94 E101 | A79-K83 WeakPolarHBondContact O-CG 3.08Å; A79-K83 PolarHBondContact O-N 3Å; E80-K83 PolarHBondContact O-N 3.18Å; K83-E86 PolarHBondContact O-N 3.14Å; K83-C87 WeakPolarHBondContact O-CB 3.36Å; K83-C87 PolarHBondContact O-N 2.93Å; K83-C87 PolarHBondContact O-SG 3.26Å; K83-Y94 HydrophobicContact CB-CD2 4.39Å; K83-Y94 HydrophobicContact CB-CE2 3.79Å; K83-E101 VanDerWaalsContact NZ-CD 3.32Å; K83-E101 IonicContact NZ-OE1 3.68Å; K83-E101 PolarHBondContact NZ-OE1 3.08Å; K83-E101 IonicContact NZ-OE2 3.67Å; K83-E101 PolarHBondContact NZ-OE2 3.12Å |
| 84 | K | 89.7 | Confident | 89.4 | Confident | 78 Ų | 78 | 86 Ų | 86 | 34% | 0.339 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.3 | -75.1 | 171.2 | -156.1 | 152 | 0 | 111.8 | E80 D81 E82 A88 Y94 | E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 3.2Å; D81-K84 PolarHBondContact O-N 3.12Å; D81-K84 IonicContact OD1-NZ 3.02Å; D81-K84 PolarHBondContact OD1-NZ 2.98Å; E82-K84 VanDerWaalsContact C-N 3.29Å; E82-K84 PolarHBondContact O-N 2.98Å; K84-A88 VanDerWaalsContact O-CB 3.27Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 3.1Å; K84-Y94 HydrophobicContact CB-CD2 4.39Å; K84-Y94 HydrophobicContact CB-CG 4.48Å; K84-Y94 HydrophobicContact CD-CD1 4.38Å; K84-Y94 HydrophobicContact CD-CE1 4.36Å; K84-Y94 HydrophobicContact CG-CD1 3.65Å; K84-Y94 HydrophobicContact CG-CD2 3.69Å; K84-Y94 HydrophobicContact CG-CE1 3.83Å; K84-Y94 HydrophobicContact CG-CE2 3.89Å; K84-Y94 HydrophobicContact CG-CG 3.57Å |
| 85 | K | 91.3 | Very high | 89 | Confident | 150 Ų | 150 | 88.1 Ų | 88.1 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 177.8 | -72.7 | 169.1 | -175.8 | 171.2 | 0 | 111.5 | D81 E82 A88 A89 | D81-K85 VanDerWaalsContact O-CG 3.29Å; D81-K85 WeakPolarHBondContact O-CG 3.47Å; D81-K85 PolarHBondContact O-N 3.14Å; E82-K85 WeakPolarHBondContact O-CB 3.26Å; E82-K85 PolarHBondContact O-N 2.9Å; K85-A88 PolarHBondContact O-N 3.35Å; K85-A89 WeakPolarHBondContact O-CB 3.39Å; K85-A89 PolarHBondContact O-N 2.88Å |
| 86 | E | 90.3 | Very high | 88.6 | Confident | 113 Ų | 113 | 91 Ų | 91 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 175.1 | -70.2 | 173.7 | 175.8 | 0 | 0 | 111.2 | E82 K83 A88 A89 H90 | E82-E86 WeakPolarHBondContact O-CG 3.23Å; E82-E86 PolarHBondContact O-N 3.25Å; K83-E86 PolarHBondContact O-N 3.14Å; E86-A88 VanDerWaalsContact C-N 3.3Å; E86-A88 PolarHBondContact O-N 3.49Å; E86-A89 WeakPolarHBondContact O-CB 3.43Å; E86-A89 PolarHBondContact O-N 3.47Å; E86-A89 VanDerWaalsContact O-N 3.1Å; E86-H90 PolarHBondContact O-CD2 2.92Å; E86-H90 PolarHBondContact O-N 3.4Å |
| 87 | C | 86.9 | Confident | 88.4 | Confident | 14 Ų | 14 | 85.5 Ų | 85.5 | 10% | 0.095 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 176.3 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | K83 A89 H90 G91 E92 | K83-C87 WeakPolarHBondContact O-CB 3.36Å; K83-C87 PolarHBondContact O-N 2.93Å; K83-C87 PolarHBondContact O-SG 3.26Å; C87-A89 PolarHBondContact O-N 2.9Å; C87-H90 CarbonylContact O-C 3.52Å; C87-H90 PolarHBondContact O-N 2.91Å; C87-G91 PolarHBondContact O-N 3.45Å; C87-E92 CarbonylContact C-O 3.58Å; C87-E92 PolarHBondContact O-N 3.29Å |
| 88 | A | 88.3 | Confident | 88.3 | Confident | 73 Ų | 73 | 86 Ų | 86 | 60% | 0.603 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.2 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K84 K85 E86 G91 | K84-A88 VanDerWaalsContact O-CB 3.27Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 3.1Å; K85-A88 PolarHBondContact O-N 3.35Å; E86-A88 VanDerWaalsContact C-N 3.3Å; E86-A88 PolarHBondContact O-N 3.49Å; A88-G91 PolarHBondContact O-N 2.89Å |
| 89 | A | 91.5 | Very high | 87.9 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 74% | 0.736 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | K85 E86 C87 G91 | K85-A89 WeakPolarHBondContact O-CB 3.39Å; K85-A89 PolarHBondContact O-N 2.88Å; E86-A89 WeakPolarHBondContact O-CB 3.43Å; E86-A89 PolarHBondContact O-N 3.47Å; E86-A89 VanDerWaalsContact O-N 3.1Å; C87-A89 PolarHBondContact O-N 2.9Å; A89-G91 VanDerWaalsContact C-N 3.28Å |
| 90 | H | 88.2 | Confident | 87.6 | Confident | 149 Ų | 149 | 91.5 Ų | 91.5 | 69% | 0.69 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -77.1 | -11.3 | 172.8 | -71.2 | -64.2 | 0 | 0 | 0 | 113.5 | E86 C87 E92 | E86-H90 PolarHBondContact O-CD2 2.92Å; E86-H90 PolarHBondContact O-N 3.4Å; C87-H90 CarbonylContact O-C 3.52Å; C87-H90 PolarHBondContact O-N 2.91Å; H90-E92 HydrophobicContact CB-CG 4.33Å |
| 91 | G | 88.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 95.1 Ų | 95.1 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 19.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C87 A88 A89 | C87-G91 PolarHBondContact O-N 3.45Å; A88-G91 PolarHBondContact O-N 2.89Å; A89-G91 VanDerWaalsContact C-N 3.28Å |
| 92 | E | 87 | Confident | 87.3 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | trans | -100.9 | 150.6 | 179.5 | -60.4 | -171.1 | 175.3 | 0 | 0 | 112.1 | C87 H90 Y94 V97 | C87-E92 CarbonylContact C-O 3.58Å; C87-E92 PolarHBondContact O-N 3.29Å; H90-E92 HydrophobicContact CB-CG 4.33Å; E92-Y94 PolarHBondContact O-N 3.46Å; E92-V97 HydrophobicContact CB-CG2 4.15Å; E92-V97 WeakPolarHBondContact OE2-CG2 3.34Å | ||
| 93 | D | 85.6 | Confident | 87.3 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | trans | -77.5 | 116.8 | 172.1 | -177.9 | -4.6 | 0 | 0 | 0 | 110.6 | H95 R96 V97 | D93-H95 PolarHBondContact O-N 2.66Å; D93-H95 IonicContact OD1-CD2 2.85Å; D93-H95 PolarHBondContact OD1-N 2.97Å; D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 WeakPolarHBondContact O-CB 3.43Å; D93-R96 PolarHBondContact O-N 3.47Å; D93-V97 PolarHBondContact O-N 3.28Å | ||
| 94 | Y | 85.2 | Confident | 87.1 | Confident | 29 Ų | 29 | 93.1 Ų | 93.1 | 11% | 0.114 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -50.4 | -39.1 | 176.7 | 175.3 | -109.5 | 0 | 0 | 0 | 113 | E80 K83 K84 E92 R96 V97 K98 | E80-Y94 WeakPolarHBondContact CG-OH 3.29Å; E80-Y94 PolarHBondContact OE1-OH 2.65Å; K83-Y94 HydrophobicContact CB-CD2 4.39Å; K83-Y94 HydrophobicContact CB-CE2 3.79Å; K84-Y94 HydrophobicContact CB-CD2 4.39Å; K84-Y94 HydrophobicContact CB-CG 4.48Å; K84-Y94 HydrophobicContact CD-CD1 4.38Å; K84-Y94 HydrophobicContact CD-CE1 4.36Å; K84-Y94 HydrophobicContact CG-CD1 3.65Å; K84-Y94 HydrophobicContact CG-CD2 3.69Å; K84-Y94 HydrophobicContact CG-CE1 3.83Å; K84-Y94 HydrophobicContact CG-CE2 3.89Å; K84-Y94 HydrophobicContact CG-CG 3.57Å; E92-Y94 PolarHBondContact O-N 3.46Å; Y94-R96 VanDerWaalsContact C-N 3.3Å; Y94-R96 PolarHBondContact O-N 3.09Å; Y94-V97 PolarHBondContact O-N 3.42Å; Y94-K98 HydrophobicContact CE1-CD 4.03Å; Y94-K98 WeakPolarHBondContact O-CB 3.38Å; Y94-K98 PolarHBondContact O-N 3.02Å |
| 95 | H | 82.8 | Confident | 86.8 | Confident | 129 Ų | 129 | 94.4 Ų | 94.4 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -35.7 | -179.6 | -72.8 | -66.7 | 0 | 0 | 0 | 112 | D93 L99 | D93-H95 PolarHBondContact O-N 2.66Å; D93-H95 IonicContact OD1-CD2 2.85Å; D93-H95 PolarHBondContact OD1-N 2.97Å; H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.31Å; H95-L99 PolarHBondContact O-N 3.4Å |
| 96 | R | 84.3 | Confident | 86.5 | Confident | 160 Ų | 160 | 91.8 Ų | 91.8 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.3 | -45.1 | 178.6 | -167.4 | 172.2 | 75.9 | 153.2 | 3.1 | 111.3 | D93 Y94 K98 L99 L100 | D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 WeakPolarHBondContact O-CB 3.43Å; D93-R96 PolarHBondContact O-N 3.47Å; Y94-R96 VanDerWaalsContact C-N 3.3Å; Y94-R96 PolarHBondContact O-N 3.09Å; R96-K98 VanDerWaalsContact C-N 3.35Å; R96-K98 PolarHBondContact O-N 3.32Å; R96-L99 PolarHBondContact O-N 3.25Å; R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 2.96Å; R96-L100 VanDerWaalsContact O-N 3.15Å |
| 97 | V | 86.8 | Confident | 86.1 | Confident | 30 Ų | 30 | 88.3 Ų | 88.3 | 18% | 0.182 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | E92 D93 Y94 L99 L100 E101 | E92-V97 HydrophobicContact CB-CG2 4.15Å; E92-V97 WeakPolarHBondContact OE2-CG2 3.34Å; D93-V97 PolarHBondContact O-N 3.28Å; Y94-V97 PolarHBondContact O-N 3.42Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.43Å; V97-L100 WeakPolarHBondContact O-CB 3.27Å; V97-L100 PolarHBondContact O-N 3.05Å; V97-L100 VanDerWaalsContact O-N 3.08Å; V97-E101 PolarHBondContact O-N 2.97Å; V97-E101 VanDerWaalsContact O-N 3.1Å |
| 98 | K | 86.1 | Confident | 86 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 33% | 0.33 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 177.2 | -174.8 | 171.2 | -177.7 | 171.6 | 0 | 112.9 | E80 Y94 R96 L100 E101 I102 | E80-K98 IonicContact OE1-NZ 2.8Å; E80-K98 PolarHBondContact OE1-NZ 3.25Å; Y94-K98 HydrophobicContact CE1-CD 4.03Å; Y94-K98 WeakPolarHBondContact O-CB 3.38Å; Y94-K98 PolarHBondContact O-N 3.02Å; R96-K98 VanDerWaalsContact C-N 3.35Å; R96-K98 PolarHBondContact O-N 3.32Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-E101 PolarHBondContact O-N 2.96Å; K98-I102 WeakPolarHBondContact O-CG1 3.42Å; K98-I102 PolarHBondContact O-N 3.25Å |
| 99 | L | 83.9 | Confident | 85.8 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.6 | -30.2 | 176.4 | -74 | 169.8 | 0 | 0 | 0 | 112.8 | H95 R96 V97 I102 | H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.31Å; H95-L99 PolarHBondContact O-N 3.4Å; R96-L99 PolarHBondContact O-N 3.25Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.43Å; L99-I102 HydrophobicContact CD2-CD1 4.37Å |
| 100 | L | 86.2 | Confident | 85 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.4 | -32.4 | 175.4 | -68.3 | 169.6 | 0 | 0 | 0 | 112.6 | R96 V97 K98 I102 | R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 2.96Å; R96-L100 VanDerWaalsContact O-N 3.15Å; V97-L100 WeakPolarHBondContact O-CB 3.27Å; V97-L100 PolarHBondContact O-N 3.05Å; V97-L100 VanDerWaalsContact O-N 3.08Å; K98-L100 VanDerWaalsContact C-N 3.32Å; L100-I102 VanDerWaalsContact C-N 3.31Å |
| 101 | E | 84.9 | Confident | 84.5 | Confident | 106 Ų | 106 | 95.2 Ų | 95.2 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.4 | -23.8 | 176.6 | -69.6 | -177.1 | 166 | 0 | 0 | 113 | K83 V97 K98 T103 | K83-E101 VanDerWaalsContact NZ-CD 3.32Å; K83-E101 IonicContact NZ-OE1 3.68Å; K83-E101 PolarHBondContact NZ-OE1 3.08Å; K83-E101 IonicContact NZ-OE2 3.67Å; K83-E101 PolarHBondContact NZ-OE2 3.12Å; V97-E101 PolarHBondContact O-N 2.97Å; V97-E101 VanDerWaalsContact O-N 3.1Å; K98-E101 PolarHBondContact O-N 2.96Å; E101-T103 PolarHBondContact O-N 3.34Å |
| 102 | I | 86 | Confident | 84 | Confident | 73 Ų | 73 | 99.9 Ų | 99.9 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -74.1 | 120.2 | -177.3 | -67.5 | 164.1 | 0 | 0 | 0 | 110.4 | K98 L99 L100 E106 A107 | K98-I102 WeakPolarHBondContact O-CG1 3.42Å; K98-I102 PolarHBondContact O-N 3.25Å; L99-I102 HydrophobicContact CD2-CD1 4.37Å; L100-I102 VanDerWaalsContact C-N 3.31Å; I102-E106 HydrophobicContact CG2-CB 4.17Å; I102-A107 HydrophobicContact CG2-CB 3.96Å |
| 103 | T | 90.6 | Very high | 83.2 | Confident | 71 Ų | 71 | 103 Ų | 103 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | trans | -73.5 | 155.6 | 175.6 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | E101 D105 E106 A107 | E101-T103 PolarHBondContact O-N 3.34Å; T103-D105 PolarHBondContact O-N 3.48Å; T103-E106 PolarHBondContact N-OE2 2.93Å; T103-E106 PolarHBondContact O-N 2.91Å; T103-E106 VanDerWaalsContact O-N 3.1Å; T103-E106 WeakPolarHBondContact OG1-CB 3.36Å; T103-E106 WeakPolarHBondContact OG1-CG 3.46Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.9Å; T103-E106 VanDerWaalsContact OG1-OE2 3.06Å; T103-A107 PolarHBondContact O-N 3.08Å | ||
| 104 | A | 84.4 | Confident | 82.5 | Confident | 82 Ų | 82 | 103.4 Ų | 103.4 | 68% | 0.678 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.2 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A107 E108 | A104-A107 PolarHBondContact O-N 3.03Å; A104-E108 PolarHBondContact O-N 3.03Å |
| 105 | D | 84.3 | Confident | 81.7 | Confident | 105 Ų | 105 | 109.4 Ų | 109.4 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.3 | -34.2 | 178.2 | -68 | -22.6 | 0 | 0 | 0 | 113.1 | T103 R109 | T103-D105 PolarHBondContact O-N 3.48Å; D105-R109 WeakPolarHBondContact O-CB 3.42Å; D105-R109 WeakPolarHBondContact O-CG 3.41Å; D105-R109 PolarHBondContact O-N 2.86Å; D105-R109 PolarHBondContact O-NE 3.44Å |
| 106 | E | 83.8 | Confident | 80.8 | Confident | 95 Ų | 95 | 113.2 Ų | 113.2 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.4 | -41 | 174.7 | -74.8 | 170.6 | 163.6 | 0 | 0 | 111.2 | I102 T103 R109 W110 | I102-E106 HydrophobicContact CG2-CB 4.17Å; T103-E106 PolarHBondContact N-OE2 2.93Å; T103-E106 PolarHBondContact O-N 2.91Å; T103-E106 VanDerWaalsContact O-N 3.1Å; T103-E106 WeakPolarHBondContact OG1-CB 3.36Å; T103-E106 WeakPolarHBondContact OG1-CG 3.46Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.9Å; T103-E106 VanDerWaalsContact OG1-OE2 3.06Å; E106-R109 PolarHBondContact O-N 3.02Å; E106-W110 VanDerWaalsContact O-CB 3.24Å; E106-W110 WeakPolarHBondContact O-CB 3.5Å; E106-W110 PolarHBondContact O-N 3.48Å |
| 107 | A | 83.6 | Confident | 80.4 | Confident | 40 Ų | 40 | 114.6 Ų | 114.6 | 33% | 0.331 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I102 T103 A104 W110 E111 | I102-A107 HydrophobicContact CG2-CB 3.96Å; T103-A107 PolarHBondContact O-N 3.08Å; A104-A107 PolarHBondContact O-N 3.03Å; A107-W110 WeakPolarHBondContact O-CB 3.21Å; A107-W110 PolarHBondContact O-N 2.95Å; A107-E111 WeakPolarHBondContact O-CB 3.45Å; A107-E111 WeakPolarHBondContact O-CG 3.39Å; A107-E111 PolarHBondContact O-N 3.33Å |
| 108 | E | 84 | Confident | 80 | Confident | 94 Ų | 94 | 118.3 Ų | 118.3 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.6 | -43.4 | 178.1 | -160.3 | -164.2 | 174.1 | 0 | 0 | 111.8 | A104 W110 E111 R112 | A104-E108 PolarHBondContact O-N 3.03Å; E108-W110 VanDerWaalsContact C-N 3.29Å; E108-W110 PolarHBondContact O-N 3.39Å; E108-E111 PolarHBondContact O-N 3.47Å; E108-R112 VanDerWaalsContact CD-NH2 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.43Å; E108-R112 VanDerWaalsContact O-CG 3.26Å; E108-R112 WeakPolarHBondContact O-CG 3.44Å; E108-R112 PolarHBondContact O-N 3.33Å; E108-R112 IonicContact OE1-CZ 3.75Å; E108-R112 VanDerWaalsContact OE1-CZ 3.23Å; E108-R112 IonicContact OE1-NE 2.86Å; E108-R112 PolarHBondContact OE1-NE 2.85Å; E108-R112 VanDerWaalsContact OE1-NE 3.1Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.03Å; E108-R112 IonicContact OE2-CZ 2.8Å; E108-R112 IonicContact OE2-NH2 2.94Å; E108-R112 PolarHBondContact OE2-NH2 3.39Å |
| 109 | R | 83.5 | Confident | 80.1 | Confident | 141 Ų | 141 | 118.8 Ų | 118.8 | 53% | 0.532 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.4 | -39.8 | 173.4 | -81.5 | -176.6 | -80.9 | 171.2 | -4.8 | 111.7 | D105 E106 R112 K113 | D105-R109 WeakPolarHBondContact O-CB 3.42Å; D105-R109 WeakPolarHBondContact O-CG 3.41Å; D105-R109 PolarHBondContact O-N 2.86Å; D105-R109 PolarHBondContact O-NE 3.44Å; E106-R109 PolarHBondContact O-N 3.02Å; R109-R112 PolarHBondContact O-N 3.16Å; R109-K113 WeakPolarHBondContact O-CG 3.28Å; R109-K113 PolarHBondContact O-N 2.94Å |
| 110 | W | 75.6 | Confident | 80.1 | Confident | 155 Ų | 155 | 118.2 Ų | 118.2 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -43.1 | 176.6 | -169.7 | -117.5 | 0 | 0 | 0 | 111.9 | E106 A107 E108 K113 K114 | E106-W110 VanDerWaalsContact O-CB 3.24Å; E106-W110 WeakPolarHBondContact O-CB 3.5Å; E106-W110 PolarHBondContact O-N 3.48Å; A107-W110 WeakPolarHBondContact O-CB 3.21Å; A107-W110 PolarHBondContact O-N 2.95Å; E108-W110 VanDerWaalsContact C-N 3.29Å; E108-W110 PolarHBondContact O-N 3.39Å; W110-K113 WeakPolarHBondContact O-CB 3.31Å; W110-K113 PolarHBondContact O-N 3.42Å; W110-K114 WeakPolarHBondContact O-CG 3.49Å; W110-K114 PolarHBondContact O-N 3.14Å |
| 111 | E | 77.5 | Confident | 80.1 | Confident | 80 Ų | 80 | 117.8 Ų | 117.8 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.1 | -37.4 | 175.7 | -73.9 | -56.8 | 131.3 | 0 | 0 | 112.5 | A107 E108 K113 K114 K115 | A107-E111 WeakPolarHBondContact O-CB 3.45Å; A107-E111 WeakPolarHBondContact O-CG 3.39Å; A107-E111 PolarHBondContact O-N 3.33Å; E108-E111 PolarHBondContact O-N 3.47Å; E111-K113 VanDerWaalsContact C-N 3.32Å; E111-K113 PolarHBondContact O-N 3.17Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 WeakPolarHBondContact OE1-CD 3.29Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 3.12Å; E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 2.9Å |
| 112 | R | 77.4 | Confident | 80.2 | Confident | 167 Ų | 167 | 114.8 Ų | 114.8 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.9 | -37.8 | 171.2 | -72.8 | 174.1 | -176.1 | -171.9 | 3.6 | 111.8 | E108 R109 | E108-R112 VanDerWaalsContact CD-NH2 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.43Å; E108-R112 VanDerWaalsContact O-CG 3.26Å; E108-R112 WeakPolarHBondContact O-CG 3.44Å; E108-R112 PolarHBondContact O-N 3.33Å; E108-R112 IonicContact OE1-CZ 3.75Å; E108-R112 VanDerWaalsContact OE1-CZ 3.23Å; E108-R112 IonicContact OE1-NE 2.86Å; E108-R112 PolarHBondContact OE1-NE 2.85Å; E108-R112 VanDerWaalsContact OE1-NE 3.1Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.03Å; E108-R112 IonicContact OE2-CZ 2.8Å; E108-R112 IonicContact OE2-NH2 2.94Å; E108-R112 PolarHBondContact OE2-NH2 3.39Å; R109-R112 PolarHBondContact O-N 3.16Å |
| 113 | K | 71.4 | Confident | 80.5 | Confident | 169 Ų | 169 | 116.8 Ų | 116.8 | 74% | 0.735 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.7 | -34 | 173.7 | -74.3 | 175.7 | -179.1 | -179 | 0 | 112.5 | R109 W110 E111 | R109-K113 WeakPolarHBondContact O-CG 3.28Å; R109-K113 PolarHBondContact O-N 2.94Å; W110-K113 WeakPolarHBondContact O-CB 3.31Å; W110-K113 PolarHBondContact O-N 3.42Å; E111-K113 VanDerWaalsContact C-N 3.32Å; E111-K113 PolarHBondContact O-N 3.17Å |
| 114 | K | 70.9 | Confident | 80.5 | Confident | 102 Ų | 102 | 117.8 Ų | 117.8 | 44% | 0.443 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.1 | -36.7 | 174.9 | -73.5 | -179.1 | -170.3 | 163.1 | 0 | 112.9 | W110 E111 K116 | W110-K114 WeakPolarHBondContact O-CG 3.49Å; W110-K114 PolarHBondContact O-N 3.14Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 WeakPolarHBondContact OE1-CD 3.29Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 3.12Å; K114-K116 PolarHBondContact O-N 2.89Å |
| 115 | K | 67.1 | Low | 81.1 | Confident | 155 Ų | 155 | 115 Ų | 115 | 67% | 0.674 | 57% | 0.571 | S | S | * | * | trans | -84.2 | 94.3 | -175.2 | -84.5 | 178.9 | 174.1 | 172.3 | 0 | 111.9 | E111 | E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 2.9Å | ||
| 116 | K | 64.1 | Low | 81.6 | Confident | 209 Ų | 209 | 119.2 Ų | 119.2 | 91% | 0.909 | 58% | 0.58 | S | S | * | * | trans | 170.6 | 67.6 | 133.2 | -89.4 | 161.7 | -169 | -177.8 | 0 | 108.9 | K114 | K114-K116 PolarHBondContact O-N 2.89Š| ||
| 117 | K | 75.5 | Confident | 82.1 | Confident | 190 Ų | 190 | 118.6 Ų | 118.6 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | trans | -90.8 | 114.2 | 168.2 | -64.1 | -175.7 | -178 | -179 | 0 | 107.6 | P119 | K117-P119 VanDerWaalsContact O-CD 3.23Å; K117-P119 WeakPolarHBondContact O-CD 3.33Å | ||
| 118 | N | 79.9 | Confident | 82.6 | Confident | 107 Ų | 107 | 122 Ų | 122 | 57% | 0.572 | 60% | 0.601 | S | S | * | * | trans | -109.9 | 75.8 | 168.4 | -171.1 | 12.5 | 0 | 0 | 0 | 108.3 | R132 | N118-R132 PolarHBondContact ND2-NH1 2.8Å; N118-R132 PolarHBondContact ND2-NH2 3.5Å; N118-R132 PolarHBondContact O-NH2 3.39Å; N118-R132 VanDerWaalsContact OD1-CZ 3.24Å; N118-R132 PolarHBondContact OD1-NH1 3.02Å; N118-R132 PolarHBondContact OD1-NH2 3.46Å | ||
| 119 | P | 87 | Confident | 83 | Confident | 87 Ų | 87 | 119.7 Ų | 119.7 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | trans | -62.2 | 152.3 | 177.7 | 28.9 | -34.4 | 0 | 0 | 0 | 110.1 | K117 R132 | K117-P119 VanDerWaalsContact O-CD 3.23Å; K117-P119 WeakPolarHBondContact O-CD 3.33Å; P119-R132 PolarHBondContact O-NH1 3.09Å; P119-R132 PolarHBondContact O-NH2 3.18Å | ||
| 120 | D | 84.7 | Confident | 83.5 | Confident | 113 Ų | 113 | 118 Ų | 118 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | trans | -84.2 | 115.9 | 171.1 | -170.8 | -2.8 | 0 | 0 | 0 | 108.3 | G122 | D120-G122 PolarHBondContact O-N 3.48Å; D120-G122 PolarHBondContact OD1-N 3.47Å | ||
| 121 | T | 84.9 | Confident | 84.3 | Confident | 133 Ų | 133 | 115.4 Ų | 115.4 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | trans | -81.6 | -2.5 | -179.8 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 122 | G | 87.8 | Confident | 85 | Confident | 43 Ų | 43 | 115 Ų | 115 | 44% | 0.443 | 58% | 0.584 | S | S | . | * | trans | 100.4 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D120 A124 | D120-G122 PolarHBondContact O-N 3.48Å; D120-G122 PolarHBondContact OD1-N 3.47Å; G122-A124 PolarHBondContact O-N 2.92Å | ||
| 123 | F | 92.2 | Very high | 85.8 | Confident | 114 Ų | 114 | 110.3 Ų | 110.3 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | trans | -78.4 | 106.8 | -177.6 | -179.9 | -102.2 | 0 | 0 | 0 | 111 | Y126 A129 | F123-Y126 AromaticContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CE1 4.14Å; F123-Y126 HydrophobicContact CE2-CG 4.4Å; F123-Y126 AromaticContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD2 4.12Å; F123-Y126 AromaticContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE2 4.05Å; F123-Y126 HydrophobicContact CZ-CG 4.04Å; F123-Y126 AromaticContact CZ-CZ 3.89Å; F123-A129 HydrophobicContact CE2-CB 4.45Å | ||
| 124 | A | 91.9 | Very high | 86.9 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | trans | -89.7 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | G122 | G122-A124 PolarHBondContact O-N 2.92Š| ||
| 125 | G | 95.1 | Very high | 88 | Confident | 23 Ų | 23 | 107.2 Ų | 107.2 | 24% | 0.237 | 55% | 0.554 | C | S | . | * | trans | -178.6 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | A127 A129 | G125-A127 PolarHBondContact O-N 3.3Å; G125-A129 PolarHBondContact O-N 2.94Å; G125-A129 VanDerWaalsContact O-N 3.14Å | ||
| 126 | Y | 94.8 | Very high | 89.2 | Confident | 193 Ų | 193 | 103.5 Ų | 103.5 | 76% | 0.757 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -36.5 | -176.3 | -66.3 | -72.8 | 0 | 0 | 0 | 113.2 | F123 A129 Q130 | F123-Y126 AromaticContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CE1 4.14Å; F123-Y126 HydrophobicContact CE2-CG 4.4Å; F123-Y126 AromaticContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD2 4.12Å; F123-Y126 AromaticContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE2 4.05Å; F123-Y126 HydrophobicContact CZ-CG 4.04Å; F123-Y126 AromaticContact CZ-CZ 3.89Å; Y126-A129 PolarHBondContact O-N 2.87Å; Y126-Q130 VanDerWaalsContact O-CB 3.31Å; Y126-Q130 WeakPolarHBondContact O-CB 3.24Å; Y126-Q130 PolarHBondContact O-N 3.07Å |
| 127 | A | 95.8 | Very high | 90.7 | Very high | 83 Ų | 83 | 95 Ų | 95 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G125 Q130 F131 | G125-A127 PolarHBondContact O-N 3.3Å; A127-Q130 PolarHBondContact O-N 2.9Å; A127-F131 WeakPolarHBondContact O-CB 3.08Å; A127-F131 PolarHBondContact O-N 3.26Å |
| 128 | E | 93.1 | Very high | 91.6 | Very high | 111 Ų | 111 | 88.7 Ų | 88.7 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.7 | -173.7 | 57.5 | -148.7 | 0 | 0 | 111.7 | Q130 F131 R132 | E128-Q130 VanDerWaalsContact C-N 3.32Å; E128-Q130 PolarHBondContact O-N 3.46Å; E128-F131 PolarHBondContact O-N 3.3Å; E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.03Å |
| 129 | A | 92 | Very high | 92.2 | Very high | 46 Ų | 46 | 91.5 Ų | 91.5 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F123 G125 Y126 R132 Q133 | F123-A129 HydrophobicContact CE2-CB 4.45Å; G125-A129 PolarHBondContact O-N 2.94Å; G125-A129 VanDerWaalsContact O-N 3.14Å; Y126-A129 PolarHBondContact O-N 2.87Å; A129-R132 PolarHBondContact O-N 2.84Å; A129-Q133 PolarHBondContact O-N 3.32Å |
| 130 | Q | 94.1 | Very high | 92.5 | Very high | 105 Ų | 105 | 92.5 Ų | 92.5 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.6 | -178.9 | 60.3 | 26.8 | 0 | 0 | 111.5 | Y126 A127 E128 R132 Q133 Y134 | Y126-Q130 VanDerWaalsContact O-CB 3.31Å; Y126-Q130 WeakPolarHBondContact O-CB 3.24Å; Y126-Q130 PolarHBondContact O-N 3.07Å; A127-Q130 PolarHBondContact O-N 2.9Å; E128-Q130 VanDerWaalsContact C-N 3.32Å; E128-Q130 PolarHBondContact O-N 3.46Å; Q130-R132 PolarHBondContact O-N 3.22Å; Q130-Q133 WeakPolarHBondContact O-CB 3.36Å; Q130-Q133 PolarHBondContact O-N 2.99Å; Q130-Y134 WeakPolarHBondContact O-CB 3.28Å; Q130-Y134 PolarHBondContact O-N 2.88Å |
| 131 | F | 94.1 | Very high | 92.8 | Very high | 100 Ų | 100 | 91.9 Ų | 91.9 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 177.8 | -179 | -115.3 | 0 | 0 | 0 | 111.4 | A127 E128 Q133 Y134 Q135 | A127-F131 WeakPolarHBondContact O-CB 3.08Å; A127-F131 PolarHBondContact O-N 3.26Å; E128-F131 PolarHBondContact O-N 3.3Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-Q133 PolarHBondContact O-N 3.41Å; F131-Y134 PolarHBondContact O-N 3.44Å; F131-Q135 HydrophobicContact CD1-CG 4.47Å; F131-Q135 HydrophobicContact CE1-CG 4.21Å; F131-Q135 HydrophobicContact CE2-CG 4.23Å; F131-Q135 HydrophobicContact CZ-CG 4.09Å; F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 WeakPolarHBondContact O-CG 3.47Å; F131-Q135 PolarHBondContact O-N 3.08Å |
| 132 | R | 92.3 | Very high | 93.1 | Very high | 73 Ų | 73 | 96.4 Ų | 96.4 | 28% | 0.275 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 174.2 | -173.2 | -177.4 | -178.1 | 90.5 | -3 | 112.1 | N118 P119 E128 A129 Q130 R136 | N118-R132 PolarHBondContact ND2-NH1 2.8Å; N118-R132 PolarHBondContact ND2-NH2 3.5Å; N118-R132 PolarHBondContact O-NH2 3.39Å; N118-R132 VanDerWaalsContact OD1-CZ 3.24Å; N118-R132 PolarHBondContact OD1-NH1 3.02Å; N118-R132 PolarHBondContact OD1-NH2 3.46Å; P119-R132 PolarHBondContact O-NH1 3.09Å; P119-R132 PolarHBondContact O-NH2 3.18Å; E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.03Å; A129-R132 PolarHBondContact O-N 2.84Å; Q130-R132 PolarHBondContact O-N 3.22Å; R132-R136 PolarHBondContact O-N 3.07Å; R132-R136 VanDerWaalsContact O-N 3.13Å |
| 133 | Q | 93.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 99.3 Ų | 99.3 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 173.6 | 170.2 | 176 | -13.6 | 0 | 0 | 111.3 | A129 Q130 F131 R136 L137 | A129-Q133 PolarHBondContact O-N 3.32Å; Q130-Q133 WeakPolarHBondContact O-CB 3.36Å; Q130-Q133 PolarHBondContact O-N 2.99Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-Q133 PolarHBondContact O-N 3.41Å; Q133-R136 WeakPolarHBondContact O-CB 3.36Å; Q133-R136 PolarHBondContact O-N 2.78Å; Q133-R136 VanDerWaalsContact O-N 3.14Å; Q133-L137 HydrophobicContact CG-CD1 3.82Å; Q133-L137 HydrophobicContact CG-CG 4.33Å; Q133-L137 WeakPolarHBondContact O-CG 3.49Å; Q133-L137 PolarHBondContact O-N 3.11Å |
| 134 | Y | 94.8 | Very high | 93.3 | Very high | 137 Ų | 137 | 97.3 Ų | 97.3 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 179.9 | 174.5 | -102.1 | 0 | 0 | 0 | 111.6 | Q130 F131 R136 L137 T138 | Q130-Y134 WeakPolarHBondContact O-CB 3.28Å; Q130-Y134 PolarHBondContact O-N 2.88Å; F131-Y134 PolarHBondContact O-N 3.44Å; Y134-R136 PolarHBondContact O-N 3.42Å; Y134-L137 PolarHBondContact O-N 2.8Å; Y134-L137 VanDerWaalsContact O-N 3.16Å; Y134-T138 HydrophobicContact CD1-CG2 4.18Å; Y134-T138 HydrophobicContact CD2-CG2 4.04Å; Y134-T138 HydrophobicContact CE1-CG2 3.72Å; Y134-T138 HydrophobicContact CE2-CG2 3.57Å; Y134-T138 HydrophobicContact CG-CG2 4.32Å; Y134-T138 WeakPolarHBondContact O-CB 3.2Å; Y134-T138 WeakPolarHBondContact O-CG2 3.31Å; Y134-T138 PolarHBondContact O-N 3.44Å; Y134-T138 PolarHBondContact O-OG1 3.28Å |
| 135 | Q | 94.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 98.5 Ų | 98.5 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.6 | -35.6 | 174.2 | -75.1 | -169.8 | -13.3 | 0 | 0 | 112.9 | F131 T138 K139 | F131-Q135 HydrophobicContact CD1-CG 4.47Å; F131-Q135 HydrophobicContact CE1-CG 4.21Å; F131-Q135 HydrophobicContact CE2-CG 4.23Å; F131-Q135 HydrophobicContact CZ-CG 4.09Å; F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 WeakPolarHBondContact O-CG 3.47Å; F131-Q135 PolarHBondContact O-N 3.08Å; Q135-T138 VanDerWaalsContact CA-OG1 3.28Å; Q135-T138 WeakPolarHBondContact CA-OG1 3.47Å; Q135-T138 PolarHBondContact O-OG1 3.25Å; Q135-T138 VanDerWaalsContact O-OG1 3.06Å; Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 WeakPolarHBondContact O-CD 3.4Å; Q135-K139 WeakPolarHBondContact O-CG 3.12Å; Q135-K139 PolarHBondContact O-N 2.97Å |
| 136 | R | 92.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 29% | 0.294 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 175.4 | -179.8 | -174.2 | 58.1 | 70.6 | -0.7 | 111 | R132 Q133 Y134 K139 Q140 K191 | R132-R136 PolarHBondContact O-N 3.07Å; R132-R136 VanDerWaalsContact O-N 3.13Å; Q133-R136 WeakPolarHBondContact O-CB 3.36Å; Q133-R136 PolarHBondContact O-N 2.78Å; Q133-R136 VanDerWaalsContact O-N 3.14Å; Y134-R136 PolarHBondContact O-N 3.42Å; R136-K139 PolarHBondContact O-N 3.18Å; R136-Q140 VanDerWaalsContact O-CG 3.29Å; R136-Q140 WeakPolarHBondContact O-CG 3.09Å; R136-Q140 PolarHBondContact O-N 3.4Å; R136-K191 VanDerWaalsContact NH1-NZ 3.19Å |
| 137 | L | 94.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 96.5 Ų | 96.5 | 16% | 0.157 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65 | -47.2 | -178.7 | -69.3 | 171.5 | 0 | 0 | 0 | 111.2 | Q133 Y134 K139 Q140 I141 Q188 | Q133-L137 HydrophobicContact CG-CD1 3.82Å; Q133-L137 HydrophobicContact CG-CG 4.33Å; Q133-L137 WeakPolarHBondContact O-CG 3.49Å; Q133-L137 PolarHBondContact O-N 3.11Å; Y134-L137 PolarHBondContact O-N 2.8Å; Y134-L137 VanDerWaalsContact O-N 3.16Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.07Å; L137-Q140 WeakPolarHBondContact O-CA 3.42Å; L137-Q140 WeakPolarHBondContact O-CB 3.2Å; L137-Q140 PolarHBondContact O-N 2.82Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.15Å; L137-I141 VanDerWaalsContact O-N 3.08Å; L137-Q188 HydrophobicContact CD1-CG 4.27Å; L137-Q188 HydrophobicContact CD2-CG 3.87Å |
| 138 | T | 94.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 97.8 Ų | 97.8 | 36% | 0.356 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.1 | -37.4 | 176.1 | 47.4 | 0 | 0 | 0 | 0 | 113.1 | Y134 Q135 Q140 | Y134-T138 HydrophobicContact CD1-CG2 4.18Å; Y134-T138 HydrophobicContact CD2-CG2 4.04Å; Y134-T138 HydrophobicContact CE1-CG2 3.72Å; Y134-T138 HydrophobicContact CE2-CG2 3.57Å; Y134-T138 HydrophobicContact CG-CG2 4.32Å; Y134-T138 WeakPolarHBondContact O-CB 3.2Å; Y134-T138 WeakPolarHBondContact O-CG2 3.31Å; Y134-T138 PolarHBondContact O-N 3.44Å; Y134-T138 PolarHBondContact O-OG1 3.28Å; Q135-T138 VanDerWaalsContact CA-OG1 3.28Å; Q135-T138 WeakPolarHBondContact CA-OG1 3.47Å; Q135-T138 PolarHBondContact O-OG1 3.25Å; Q135-T138 VanDerWaalsContact O-OG1 3.06Å; T138-Q140 VanDerWaalsContact C-N 3.3Å; T138-Q140 PolarHBondContact O-N 3.13Å |
| 139 | K | 92.8 | Very high | 93 | Very high | 166 Ų | 166 | 98 Ų | 98 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.5 | -22.4 | 173.9 | -74.1 | 172.7 | -175.2 | 172.2 | 0 | 114.2 | Q135 R136 L137 | Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 WeakPolarHBondContact O-CD 3.4Å; Q135-K139 WeakPolarHBondContact O-CG 3.12Å; Q135-K139 PolarHBondContact O-N 2.97Å; R136-K139 PolarHBondContact O-N 3.18Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.07Å |
| 140 | Q | 92.4 | Very high | 93 | Very high | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -88.2 | -28.7 | -178.6 | -73.3 | -177.7 | -46.1 | 0 | 0 | 112.4 | R136 L137 T138 R142 | R136-Q140 VanDerWaalsContact O-CG 3.29Å; R136-Q140 WeakPolarHBondContact O-CG 3.09Å; R136-Q140 PolarHBondContact O-N 3.4Å; L137-Q140 WeakPolarHBondContact O-CA 3.42Å; L137-Q140 WeakPolarHBondContact O-CB 3.2Å; L137-Q140 PolarHBondContact O-N 2.82Å; T138-Q140 VanDerWaalsContact C-N 3.3Å; T138-Q140 PolarHBondContact O-N 3.13Å; Q140-R142 PolarHBondContact O-N 3.48Å |
| 141 | I | 91.8 | Very high | 92.8 | Very high | 100 Ų | 100 | 101.2 Ų | 101.2 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | trans | -64.7 | 127.9 | 178.1 | -63.6 | 163.4 | 0 | 0 | 0 | 109.1 | L137 | L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.15Å; L137-I141 VanDerWaalsContact O-N 3.08Å | ||
| 142 | R | 91.9 | Very high | 92.7 | Very high | 227 Ų | 227 | 102.5 Ų | 102.5 | 86% | 0.857 | 47% | 0.47 | S | S | * | . | trans | -113.1 | 104.7 | 173.3 | -59.2 | -174.8 | 92.1 | 166.7 | 4.3 | 108.2 | Q140 | Q140-R142 PolarHBondContact O-N 3.48Š| ||
| 143 | P | 92.1 | Very high | 92.7 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 68% | 0.682 | 49% | 0.493 | S | S | * | . | trans | -63.9 | 142 | 178 | -20.9 | 33.1 | 0 | 0 | 0 | 111.2 | ||||
| 144 | D | 92 | Very high | 92.5 | Very high | 72 Ų | 72 | 111.3 Ų | 111.3 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | trans | -89.2 | 114.5 | 168.3 | 170.8 | 28.8 | 0 | 0 | 0 | 109 | Q146 S147 Y148 | D144-Q146 VanDerWaalsContact C-N 3.34Å; D144-Q146 PolarHBondContact OD1-N 3Å; D144-Q146 VanDerWaalsContact OD1-N 3.15Å; D144-S147 WeakPolarHBondContact CB-OG 3.48Å; D144-S147 VanDerWaalsContact CG-OG 3.24Å; D144-S147 PolarHBondContact O-OG 3.41Å; D144-S147 VanDerWaalsContact OD2-CB 3.26Å; D144-S147 WeakPolarHBondContact OD2-CB 3.39Å; D144-S147 PolarHBondContact OD2-N 3.04Å; D144-S147 PolarHBondContact OD2-OG 3.26Å; D144-Y148 WeakPolarHBondContact O-CB 3.2Å; D144-Y148 PolarHBondContact O-N 3.35Å | ||
| 145 | L | 93.2 | Very high | 92.1 | Very high | 118 Ų | 118 | 107.3 Ų | 107.3 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.3 | -29.6 | -175.7 | -62.2 | 176.7 | 0 | 0 | 0 | 112.1 | Y148 E149 | L145-Y148 WeakPolarHBondContact O-CB 3.27Å; L145-Y148 PolarHBondContact O-N 3.48Å; L145-E149 WeakPolarHBondContact O-CG 3.49Å; L145-E149 PolarHBondContact O-N 3.34Å |
| 146 | Q | 93.2 | Very high | 91.8 | Very high | 136 Ų | 136 | 105.9 Ų | 105.9 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.9 | -45 | -177.7 | -66 | -174 | -12.4 | 0 | 0 | 111.7 | D144 Y148 E149 K150 | D144-Q146 VanDerWaalsContact C-N 3.34Å; D144-Q146 PolarHBondContact OD1-N 3Å; D144-Q146 VanDerWaalsContact OD1-N 3.15Å; Q146-Y148 VanDerWaalsContact C-N 3.28Å; Q146-Y148 PolarHBondContact O-N 2.99Å; Q146-E149 PolarHBondContact O-N 3.21Å; Q146-K150 WeakPolarHBondContact O-CG 3.43Å; Q146-K150 PolarHBondContact O-N 2.9Å; Q146-K150 VanDerWaalsContact O-N 3.12Å |
| 147 | S | 90.5 | Very high | 91.5 | Very high | 38 Ų | 38 | 110.1 Ų | 110.1 | 27% | 0.266 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.3 | -32.7 | 174.4 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | D144 Q151 | D144-S147 WeakPolarHBondContact CB-OG 3.48Å; D144-S147 VanDerWaalsContact CG-OG 3.24Å; D144-S147 PolarHBondContact O-OG 3.41Å; D144-S147 VanDerWaalsContact OD2-CB 3.26Å; D144-S147 WeakPolarHBondContact OD2-CB 3.39Å; D144-S147 PolarHBondContact OD2-N 3.04Å; D144-S147 PolarHBondContact OD2-OG 3.26Å; S147-Q151 WeakPolarHBondContact O-CB 3.47Å; S147-Q151 VanDerWaalsContact O-CG 3.27Å; S147-Q151 WeakPolarHBondContact O-CG 3.39Å; S147-Q151 PolarHBondContact O-N 2.7Å |
| 148 | Y | 92.1 | Very high | 91 | Very high | 109 Ų | 109 | 113.8 Ų | 113.8 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -47.1 | 173.4 | 177.9 | -93.1 | 0 | 0 | 0 | 112.3 | D144 L145 Q146 Q151 R152 F159 | D144-Y148 WeakPolarHBondContact O-CB 3.2Å; D144-Y148 PolarHBondContact O-N 3.35Å; L145-Y148 WeakPolarHBondContact O-CB 3.27Å; L145-Y148 PolarHBondContact O-N 3.48Å; Q146-Y148 VanDerWaalsContact C-N 3.28Å; Q146-Y148 PolarHBondContact O-N 2.99Å; Y148-Q151 PolarHBondContact O-N 2.82Å; Y148-R152 WeakPolarHBondContact O-CB 3.47Å; Y148-R152 PolarHBondContact O-N 3.13Å; Y148-F159 AromaticContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CE1-CE1 4.38Å; Y148-F159 HydrophobicContact CE1-CZ 4.34Å; Y148-F159 AromaticContact CE2-CE1 3.86Å; Y148-F159 HydrophobicContact CE2-CE1 3.86Å; Y148-F159 AromaticContact CE2-CZ 3.42Å; Y148-F159 HydrophobicContact CE2-CZ 3.42Å; Y148-F159 VanDerWaalsContact CE2-CZ 3.42Å; Y148-F159 AromaticContact CZ-CE1 3.64Å; Y148-F159 AromaticContact CZ-CZ 3.65Å; Y148-F159 WeakPolarHBondContact OH-CE1 3.41Å |
| 149 | E | 94.3 | Very high | 90.8 | Very high | 115 Ų | 115 | 112.9 Ų | 112.9 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 178 | -75 | 171 | 177.1 | 0 | 0 | 112.1 | L145 Q146 Q151 R152 E153 | L145-E149 WeakPolarHBondContact O-CG 3.49Å; L145-E149 PolarHBondContact O-N 3.34Å; Q146-E149 PolarHBondContact O-N 3.21Å; E149-Q151 PolarHBondContact O-N 2.83Å; E149-R152 WeakPolarHBondContact O-CB 3.33Å; E149-R152 PolarHBondContact O-N 3.03Å; E149-E153 PolarHBondContact O-N 2.79Å |
| 150 | K | 92.1 | Very high | 90.6 | Very high | 131 Ų | 131 | 111.2 Ų | 111.2 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.6 | -47.4 | 174.9 | -71 | 178 | -178.8 | -177.8 | 0 | 112.4 | Q146 R152 E153 E154 | Q146-K150 WeakPolarHBondContact O-CG 3.43Å; Q146-K150 PolarHBondContact O-N 2.9Å; Q146-K150 VanDerWaalsContact O-N 3.12Å; K150-R152 VanDerWaalsContact C-N 3.26Å; K150-R152 PolarHBondContact O-N 2.99Å; K150-E153 PolarHBondContact O-N 2.96Å; K150-E154 WeakPolarHBondContact O-CG 3.5Å; K150-E154 PolarHBondContact O-N 3.39Å |
| 151 | Q | 89.6 | Confident | 90.4 | Very high | 89 Ų | 89 | 109.9 Ų | 109.9 | 42% | 0.416 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 177.7 | -73.6 | 171.8 | 24.3 | 0 | 0 | 112.3 | S147 Y148 E149 S155 F159 | S147-Q151 WeakPolarHBondContact O-CB 3.47Å; S147-Q151 VanDerWaalsContact O-CG 3.27Å; S147-Q151 WeakPolarHBondContact O-CG 3.39Å; S147-Q151 PolarHBondContact O-N 2.7Å; Y148-Q151 PolarHBondContact O-N 2.82Å; E149-Q151 PolarHBondContact O-N 2.83Å; Q151-S155 VanDerWaalsContact O-CB 3.25Å; Q151-S155 WeakPolarHBondContact O-CB 3.44Å; Q151-S155 PolarHBondContact O-N 3.01Å; Q151-S155 PolarHBondContact O-OG 2.88Å; Q151-F159 HydrophobicContact CB-CE2 4.17Å |
| 152 | R | 92.4 | Very high | 90.3 | Very high | 127 Ų | 127 | 110.1 Ų | 110.1 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.4 | -176.5 | -176.9 | 177 | -150.2 | -3.1 | 111.9 | Y148 E149 K150 G156 F159 Y160 | Y148-R152 WeakPolarHBondContact O-CB 3.47Å; Y148-R152 PolarHBondContact O-N 3.13Å; E149-R152 WeakPolarHBondContact O-CB 3.33Å; E149-R152 PolarHBondContact O-N 3.03Å; K150-R152 VanDerWaalsContact C-N 3.26Å; K150-R152 PolarHBondContact O-N 2.99Å; R152-G156 PolarHBondContact O-N 2.95Å; R152-F159 HydrophobicContact CB-CD1 4.18Å; R152-F159 HydrophobicContact CB-CD2 4.17Å; R152-F159 HydrophobicContact CB-CE1 4.04Å; R152-F159 HydrophobicContact CB-CE2 4.03Å; R152-F159 HydrophobicContact CB-CG 4.23Å; R152-F159 HydrophobicContact CB-CZ 3.95Å; R152-F159 HydrophobicContact CG-CD1 3.86Å; R152-F159 HydrophobicContact CG-CE1 4.03Å; R152-F159 HydrophobicContact CG-CG 4.13Å; R152-F159 HydrophobicContact CG-CZ 4.45Å; R152-Y160 PolarHBondContact NE-OH 2.94Å |
| 153 | E | 92.6 | Very high | 90.2 | Very high | 164 Ų | 164 | 105 Ų | 105 | 77% | 0.766 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 175.8 | -71.7 | -179.1 | 174.6 | 0 | 0 | 112.1 | E149 K150 | E149-E153 PolarHBondContact O-N 2.79Å; K150-E153 PolarHBondContact O-N 2.96Å |
| 154 | E | 89.5 | Confident | 89.9 | Confident | 160 Ų | 160 | 107 Ų | 107 | 75% | 0.748 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 178.5 | -73.3 | 171.3 | -176.2 | 0 | 0 | 112.8 | K150 | K150-E154 WeakPolarHBondContact O-CG 3.5Å; K150-E154 PolarHBondContact O-N 3.39Å |
| 155 | S | 86.3 | Confident | 89.6 | Confident | 53 Ų | 53 | 105.4 Ų | 105.4 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -89.4 | -16.4 | -175.9 | -50.5 | 0 | 0 | 0 | 0 | 113.3 | Q151 E157 D158 | Q151-S155 VanDerWaalsContact O-CB 3.25Å; Q151-S155 WeakPolarHBondContact O-CB 3.44Å; Q151-S155 PolarHBondContact O-N 3.01Å; Q151-S155 PolarHBondContact O-OG 2.88Å; S155-E157 PolarHBondContact O-N 2.93Å; S155-D158 WeakPolarHBondContact O-CB 3.26Å; S155-D158 PolarHBondContact O-N 3.21Å |
| 156 | G | 88.4 | Confident | 89 | Confident | 40 Ų | 40 | 108 Ų | 108 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | 53.5 | -122.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | R152 F159 | R152-G156 PolarHBondContact O-N 2.95Å; G156-F159 VanDerWaalsContact O-CB 3.23Å; G156-F159 WeakPolarHBondContact O-CB 3.17Å; G156-F159 PolarHBondContact O-N 3.5Å |
| 157 | E | 84.6 | Confident | 88.2 | Confident | 167 Ų | 167 | 104 Ų | 104 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -70.7 | -30.7 | 179.2 | -166.9 | 64.3 | -163.2 | 0 | 0 | 112.4 | S155 F159 Y160 | S155-E157 PolarHBondContact O-N 2.93Å; E157-F159 PolarHBondContact O-N 3.3Å; E157-F159 VanDerWaalsContact O-N 3.11Å; E157-Y160 PolarHBondContact O-N 3.5Å |
| 158 | D | 85.9 | Confident | 87.7 | Confident | 107 Ų | 107 | 112.7 Ų | 112.7 | 57% | 0.572 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -70.4 | -7 | 179.1 | -68.8 | -26.7 | 0 | 0 | 0 | 112.8 | S155 Y160 | S155-D158 WeakPolarHBondContact O-CB 3.26Å; S155-D158 PolarHBondContact O-N 3.21Å; D158-Y160 PolarHBondContact O-N 3.37Å |
| 159 | F | 88.3 | Confident | 87.3 | Confident | 39 Ų | 39 | 110.9 Ų | 110.9 | 17% | 0.171 | 58% | 0.584 | C | S | . | * | G | 310 helix | trans | -66.2 | -24.1 | 176.9 | -169.6 | -104.9 | 0 | 0 | 0 | 113.6 | Y148 Q151 R152 G156 E157 P161 | Y148-F159 AromaticContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CE1-CE1 4.38Å; Y148-F159 HydrophobicContact CE1-CZ 4.34Å; Y148-F159 AromaticContact CE2-CE1 3.86Å; Y148-F159 HydrophobicContact CE2-CE1 3.86Å; Y148-F159 AromaticContact CE2-CZ 3.42Å; Y148-F159 HydrophobicContact CE2-CZ 3.42Å; Y148-F159 VanDerWaalsContact CE2-CZ 3.42Å; Y148-F159 AromaticContact CZ-CE1 3.64Å; Y148-F159 AromaticContact CZ-CZ 3.65Å; Y148-F159 WeakPolarHBondContact OH-CE1 3.41Å; Q151-F159 HydrophobicContact CB-CE2 4.17Å; R152-F159 HydrophobicContact CB-CD1 4.18Å; R152-F159 HydrophobicContact CB-CD2 4.17Å; R152-F159 HydrophobicContact CB-CE1 4.04Å; R152-F159 HydrophobicContact CB-CE2 4.03Å; R152-F159 HydrophobicContact CB-CG 4.23Å; R152-F159 HydrophobicContact CB-CZ 3.95Å; R152-F159 HydrophobicContact CG-CD1 3.86Å; R152-F159 HydrophobicContact CG-CE1 4.03Å; R152-F159 HydrophobicContact CG-CG 4.13Å; R152-F159 HydrophobicContact CG-CZ 4.45Å; G156-F159 VanDerWaalsContact O-CB 3.23Å; G156-F159 WeakPolarHBondContact O-CB 3.17Å; G156-F159 PolarHBondContact O-N 3.5Å; E157-F159 PolarHBondContact O-N 3.3Å; E157-F159 VanDerWaalsContact O-N 3.11Å; F159-P161 WeakPolarHBondContact O-CD 3.4Å |
| 160 | Y | 89.7 | Confident | 86.9 | Confident | 130 Ų | 130 | 110.1 Ų | 110.1 | 51% | 0.51 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -109.5 | 69.8 | 177.1 | -59.1 | -68.8 | 0 | 0 | 0 | 110.6 | R152 E157 D158 | R152-Y160 PolarHBondContact NE-OH 2.94Å; E157-Y160 PolarHBondContact O-N 3.5Å; D158-Y160 PolarHBondContact O-N 3.37Å |
| 161 | P | 89 | Confident | 86.7 | Confident | 80 Ų | 80 | 110.4 Ų | 110.4 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | trans | -68.9 | 140.4 | -175.5 | 29.5 | -35.8 | 0 | 0 | 0 | 111.4 | F159 | F159-P161 WeakPolarHBondContact O-CD 3.4Š| ||
| 162 | T | 88.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 112.2 Ų | 112.2 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | trans | -88.3 | 170.6 | 164.8 | 63 | 0 | 0 | 0 | 0 | 110.3 | N164 S165 | T162-N164 PolarHBondContact O-N 3.43Å; T162-S165 WeakPolarHBondContact O-CB 3.25Å; T162-S165 PolarHBondContact O-N 3.29Å | ||
| 163 | S | 89.3 | Confident | 86.7 | Confident | 118 Ų | 118 | 109.1 Ų | 109.1 | 83% | 0.825 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -23.1 | -178.8 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 164 | N | 86.9 | Confident | 86.7 | Confident | 149 Ų | 149 | 106 Ų | 106 | 80% | 0.797 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 12.4 | -177.1 | -56.6 | -16.3 | 0 | 0 | 0 | 112.6 | T162 | T162-N164 PolarHBondContact O-N 3.43Š|
| 165 | S | 84.3 | Confident | 86.9 | Confident | 38 Ų | 38 | 106.3 Ų | 106.3 | 27% | 0.266 | 60% | 0.598 | S | S | . | * | trans | -66.4 | 141.9 | 176.8 | -170 | 0 | 0 | 0 | 0 | 111.3 | T162 S167 | T162-S165 WeakPolarHBondContact O-CB 3.25Å; T162-S165 PolarHBondContact O-N 3.29Å; S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.25Å; S165-S167 PolarHBondContact OG-OG 3.36Å | ||
| 166 | L | 81.9 | Confident | 87.2 | Confident | 172 Ų | 172 | 109.4 Ų | 109.4 | 90% | 0.901 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -79.4 | -11.7 | 179.3 | -169.7 | 60.6 | 0 | 0 | 0 | 112.9 | Y168 | L166-Y168 PolarHBondContact O-N 3.01Š|
| 167 | S | 76.2 | Confident | 87.4 | Confident | 52 Ų | 52 | 108.5 Ų | 108.5 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | trans | -75.3 | 46.7 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | S165 | S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.25Å; S165-S167 PolarHBondContact OG-OG 3.36Å | ||
| 168 | Y | 80.3 | Confident | 87.9 | Confident | 220 Ų | 220 | 104 Ų | 104 | 86% | 0.863 | 58% | 0.582 | S | S | * | * | trans | -117.3 | 132.7 | 179 | -177 | -100.8 | 0 | 0 | 0 | 111.6 | L166 | L166-Y168 PolarHBondContact O-N 3.01Š| ||
| 169 | G | 83.8 | Confident | 88.4 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 74% | 0.742 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 91.7 | -1.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 170 | S | 85.1 | Confident | 88.7 | Confident | 99 Ų | 99 | 108.3 Ų | 108.3 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | trans | -89.1 | -11.2 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | V172 | S170-V172 PolarHBondContact O-N 3Š| ||
| 171 | H | 88.2 | Confident | 88.9 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | trans | -72.5 | 117.2 | -176.4 | -177 | 67.3 | 0 | 0 | 0 | 111.6 | ||||
| 172 | V | 90.4 | Very high | 89.3 | Confident | 127 Ų | 127 | 106.3 Ų | 106.3 | 77% | 0.77 | 59% | 0.591 | S | S | * | * | trans | -106.7 | 108.3 | 169.9 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | S170 | S170-V172 PolarHBondContact O-N 3Š| ||
| 173 | P | 90.8 | Very high | 89.7 | Confident | 62 Ų | 62 | 105.9 Ų | 105.9 | 40% | 0.403 | 58% | 0.581 | S | S | . | * | trans | -62.5 | 150.9 | 179.6 | -21.8 | 32.1 | 0 | 0 | 0 | 112.2 | I178 | P173-I178 HydrophobicContact CB-CD1 4.4Å; P173-I178 HydrophobicContact CB-CG1 4.03Å | ||
| 174 | T | 93.3 | Very high | 89.9 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | trans | -67.7 | 151.3 | 168.7 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | D176 G177 I178 | T174-D176 VanDerWaalsContact C-N 3.3Å; T174-D176 PolarHBondContact O-N 3.11Å; T174-G177 WeakPolarHBondContact O-CA 3.31Å; T174-G177 PolarHBondContact O-N 3.16Å; T174-G177 PolarHBondContact OG1-N 2.89Å; T174-I178 PolarHBondContact O-N 2.99Å; T174-I178 VanDerWaalsContact O-N 3.14Å | ||
| 175 | K | 94.5 | Very high | 90.4 | Very high | 166 Ų | 166 | 99.5 Ų | 99.5 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55.6 | -45.7 | 178.3 | -66 | -175.6 | 179 | -178.8 | 0 | 111.6 | G177 I178 D179 | K175-G177 PolarHBondContact O-N 3.5Å; K175-I178 WeakPolarHBondContact O-CA 3.26Å; K175-I178 WeakPolarHBondContact O-CB 3.2Å; K175-I178 PolarHBondContact O-N 3.46Å; K175-D179 PolarHBondContact O-N 3.32Å |
| 176 | D | 92.6 | Very high | 91 | Very high | 118 Ų | 118 | 103 Ų | 103 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60 | -30.1 | 175.9 | -56.6 | 7.1 | 0 | 0 | 0 | 113.3 | T174 R180 | T174-D176 VanDerWaalsContact C-N 3.3Å; T174-D176 PolarHBondContact O-N 3.11Å; D176-R180 VanDerWaalsContact O-CG 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.45Å; D176-R180 PolarHBondContact O-N 3.21Å; D176-R180 PolarHBondContact O-NE 3.31Å |
| 177 | G | 91.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 99 Ų | 99 | 22% | 0.216 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T174 K175 M181 | T174-G177 WeakPolarHBondContact O-CA 3.31Å; T174-G177 PolarHBondContact O-N 3.16Å; T174-G177 PolarHBondContact OG1-N 2.89Å; K175-G177 PolarHBondContact O-N 3.5Å; G177-M181 PolarHBondContact O-N 2.9Å |
| 178 | I | 95.4 | Very high | 92.6 | Very high | 72 Ų | 72 | 99.4 Ų | 99.4 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 177 | -61.5 | 170.8 | 0 | 0 | 0 | 110.1 | P173 T174 K175 R180 M181 V182 | P173-I178 HydrophobicContact CB-CD1 4.4Å; P173-I178 HydrophobicContact CB-CG1 4.03Å; T174-I178 PolarHBondContact O-N 2.99Å; T174-I178 VanDerWaalsContact O-N 3.14Å; K175-I178 WeakPolarHBondContact O-CA 3.26Å; K175-I178 WeakPolarHBondContact O-CB 3.2Å; K175-I178 PolarHBondContact O-N 3.46Å; I178-R180 PolarHBondContact O-N 3.15Å; I178-M181 HydrophobicContact CG2-CE 4.09Å; I178-M181 WeakPolarHBondContact O-CB 3.34Å; I178-M181 PolarHBondContact O-N 3.11Å; I178-M181 VanDerWaalsContact O-N 3.12Å; I178-V182 HydrophobicContact CG2-CG2 4.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.48Å |
| 179 | D | 96.2 | Very high | 93.3 | Very high | 101 Ų | 101 | 94 Ų | 94 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | -178.5 | -67.1 | -24.5 | 0 | 0 | 0 | 111.8 | K175 M181 V182 E183 | K175-D179 PolarHBondContact O-N 3.32Å; D179-M181 VanDerWaalsContact C-N 3.33Å; D179-M181 PolarHBondContact O-N 2.95Å; D179-V182 PolarHBondContact O-N 2.69Å; D179-E183 PolarHBondContact O-N 3.19Å |
| 180 | R | 93.8 | Very high | 93.9 | Very high | 136 Ų | 136 | 95.7 Ų | 95.7 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 173.9 | -75 | -177.6 | -66.6 | 168.8 | -0.9 | 112.6 | D176 I178 D184 | D176-R180 VanDerWaalsContact O-CG 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.45Å; D176-R180 PolarHBondContact O-N 3.21Å; D176-R180 PolarHBondContact O-NE 3.31Å; I178-R180 PolarHBondContact O-N 3.15Å; R180-D184 PolarHBondContact O-N 3.35Å; R180-D184 VanDerWaalsContact O-N 3.09Å |
| 181 | M | 94.2 | Very high | 94.3 | Very high | 108 Ų | 108 | 95.5 Ų | 95.5 | 53% | 0.532 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.4 | 174.2 | -154.3 | 58.6 | 0 | 0 | 111.1 | G177 I178 D179 D184 V185 | G177-M181 PolarHBondContact O-N 2.9Å; I178-M181 HydrophobicContact CG2-CE 4.09Å; I178-M181 WeakPolarHBondContact O-CB 3.34Å; I178-M181 PolarHBondContact O-N 3.11Å; I178-M181 VanDerWaalsContact O-N 3.12Å; D179-M181 VanDerWaalsContact C-N 3.33Å; D179-M181 PolarHBondContact O-N 2.95Å; M181-D184 PolarHBondContact O-N 2.89Å; M181-V185 WeakPolarHBondContact O-CG2 3.46Å; M181-V185 PolarHBondContact O-N 3.39Å |
| 182 | V | 97.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 99.1 Ų | 99.1 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | I178 D179 D184 V185 E186 | I178-V182 HydrophobicContact CG2-CG2 4.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.48Å; D179-V182 PolarHBondContact O-N 2.69Å; V182-D184 VanDerWaalsContact C-N 3.29Å; V182-D184 PolarHBondContact O-N 3.31Å; V182-V185 PolarHBondContact O-N 3.35Å; V182-V185 VanDerWaalsContact O-N 3.08Å; V182-E186 HydrophobicContact CG1-CG 4.44Å; V182-E186 WeakPolarHBondContact O-CG 3.4Å; V182-E186 PolarHBondContact O-N 3.2Å |
| 183 | E | 96.4 | Very high | 94.6 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 178 | -164.5 | -164.7 | 161.5 | 0 | 0 | 111.8 | D179 E186 K187 | D179-E183 PolarHBondContact O-N 3.19Å; E183-E186 PolarHBondContact O-N 3.38Å; E183-K187 WeakPolarHBondContact O-CB 3.29Å; E183-K187 VanDerWaalsContact O-CG 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.05Å; E183-K187 WeakPolarHBondContact OE1-CE 3.22Å; E183-K187 IonicContact OE1-NZ 3.35Å; E183-K187 PolarHBondContact OE1-NZ 3.44Å; E183-K187 IonicContact OE2-NZ 3.33Å |
| 184 | D | 95.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 100.3 Ų | 100.3 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -33.1 | 177.3 | -88.6 | 2.2 | 0 | 0 | 0 | 113.2 | R180 M181 V182 K187 Q188 | R180-D184 PolarHBondContact O-N 3.35Å; R180-D184 VanDerWaalsContact O-N 3.09Å; M181-D184 PolarHBondContact O-N 2.89Å; V182-D184 VanDerWaalsContact C-N 3.29Å; V182-D184 PolarHBondContact O-N 3.31Å; D184-K187 IonicContact OD1-NZ 3.82Å; D184-Q188 VanDerWaalsContact O-CG 3.23Å; D184-Q188 WeakPolarHBondContact O-CG 3.28Å; D184-Q188 PolarHBondContact O-N 3.35Å; D184-Q188 VanDerWaalsContact O-N 3.12Å; D184-Q188 PolarHBondContact O-NE2 3.1Å |
| 185 | V | 96.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 104 Ų | 104 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 173.6 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | M181 V182 K187 Q188 I189 | M181-V185 WeakPolarHBondContact O-CG2 3.46Å; M181-V185 PolarHBondContact O-N 3.39Å; V182-V185 PolarHBondContact O-N 3.35Å; V182-V185 VanDerWaalsContact O-N 3.08Å; V185-K187 PolarHBondContact O-N 3.3Å; V185-Q188 WeakPolarHBondContact O-CA 3.49Å; V185-Q188 WeakPolarHBondContact O-CB 3.43Å; V185-Q188 PolarHBondContact O-N 3.2Å; V185-Q188 VanDerWaalsContact O-N 3.08Å; V185-I189 HydrophobicContact CG1-CD1 3.99Å; V185-I189 WeakPolarHBondContact O-CG1 3.48Å; V185-I189 PolarHBondContact O-N 3.35Å |
| 186 | E | 97.2 | Very high | 94.2 | Very high | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 176.2 | -71.3 | 178.4 | 163.9 | 0 | 0 | 111.2 | V182 E183 Q188 I189 E190 | V182-E186 HydrophobicContact CG1-CG 4.44Å; V182-E186 WeakPolarHBondContact O-CG 3.4Å; V182-E186 PolarHBondContact O-N 3.2Å; E183-E186 PolarHBondContact O-N 3.38Å; E186-Q188 PolarHBondContact O-N 3.16Å; E186-I189 WeakPolarHBondContact O-CB 3.35Å; E186-I189 PolarHBondContact O-N 2.67Å; E186-I189 VanDerWaalsContact O-N 3.09Å; E186-E190 PolarHBondContact O-N 2.9Å |
| 187 | K | 96.1 | Very high | 93.9 | Very high | 88 Ų | 88 | 106 Ų | 106 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -36.7 | 173.1 | -73.7 | 167.8 | -174 | 158.8 | 0 | 112.5 | E183 D184 V185 K191 | E183-K187 WeakPolarHBondContact O-CB 3.29Å; E183-K187 VanDerWaalsContact O-CG 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.05Å; E183-K187 WeakPolarHBondContact OE1-CE 3.22Å; E183-K187 IonicContact OE1-NZ 3.35Å; E183-K187 PolarHBondContact OE1-NZ 3.44Å; E183-K187 IonicContact OE2-NZ 3.33Å; D184-K187 IonicContact OD1-NZ 3.82Å; V185-K187 PolarHBondContact O-N 3.3Å; K187-K191 WeakPolarHBondContact O-CG 3.29Å; K187-K191 PolarHBondContact O-N 2.91Å; K187-K191 VanDerWaalsContact O-N 3.12Å |
| 188 | Q | 95.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 116 Ų | 116 | 28% | 0.28 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 175.8 | -75 | 173.4 | 66.9 | 0 | 0 | 112 | L137 D184 V185 E186 K191 R192 | L137-Q188 HydrophobicContact CD1-CG 4.27Å; L137-Q188 HydrophobicContact CD2-CG 3.87Å; D184-Q188 VanDerWaalsContact O-CG 3.23Å; D184-Q188 WeakPolarHBondContact O-CG 3.28Å; D184-Q188 PolarHBondContact O-N 3.35Å; D184-Q188 VanDerWaalsContact O-N 3.12Å; D184-Q188 PolarHBondContact O-NE2 3.1Å; V185-Q188 WeakPolarHBondContact O-CA 3.49Å; V185-Q188 WeakPolarHBondContact O-CB 3.43Å; V185-Q188 PolarHBondContact O-N 3.2Å; V185-Q188 VanDerWaalsContact O-N 3.08Å; E186-Q188 PolarHBondContact O-N 3.16Å; Q188-K191 PolarHBondContact O-N 2.77Å; Q188-R192 WeakPolarHBondContact O-CB 3.47Å; Q188-R192 PolarHBondContact O-N 3.31Å |
| 189 | I | 95.6 | Very high | 93.2 | Very high | 107 Ų | 107 | 123.3 Ų | 123.3 | 55% | 0.549 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61 | -46.2 | 176.4 | -67.7 | 167.4 | 0 | 0 | 0 | 110.3 | V185 E186 K191 R192 A193 | V185-I189 HydrophobicContact CG1-CD1 3.99Å; V185-I189 WeakPolarHBondContact O-CG1 3.48Å; V185-I189 PolarHBondContact O-N 3.35Å; E186-I189 WeakPolarHBondContact O-CB 3.35Å; E186-I189 PolarHBondContact O-N 2.67Å; E186-I189 VanDerWaalsContact O-N 3.09Å; I189-K191 PolarHBondContact O-N 3.1Å; I189-R192 WeakPolarHBondContact O-CB 3.47Å; I189-R192 PolarHBondContact O-N 3.31Å; I189-R192 VanDerWaalsContact O-N 3.17Å; I189-A193 PolarHBondContact O-N 2.9Å |
| 190 | E | 95.8 | Very high | 92.7 | Very high | 108 Ų | 108 | 123.3 Ų | 123.3 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.1 | -44.1 | 177 | -73.7 | -170 | -167.5 | 0 | 0 | 112.8 | E186 R192 A193 K194 | E186-E190 PolarHBondContact O-N 2.9Å; E190-R192 VanDerWaalsContact C-N 3.3Å; E190-R192 PolarHBondContact O-N 3.19Å; E190-A193 PolarHBondContact O-N 3.09Å; E190-K194 WeakPolarHBondContact O-CG 3.39Å; E190-K194 PolarHBondContact O-N 3.28Å; E190-K194 VanDerWaalsContact O-N 3.16Å; E190-K194 IonicContact OE2-NZ 3.1Å; E190-K194 PolarHBondContact OE2-NZ 3.48Å |
| 191 | K | 93.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 123.3 Ų | 123.3 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.6 | -39.6 | 176.4 | -80.4 | -173.5 | 177.1 | -175.9 | 0 | 111.4 | R136 K187 Q188 I189 K194 Y195 | R136-K191 VanDerWaalsContact NH1-NZ 3.19Å; K187-K191 WeakPolarHBondContact O-CG 3.29Å; K187-K191 PolarHBondContact O-N 2.91Å; K187-K191 VanDerWaalsContact O-N 3.12Å; Q188-K191 PolarHBondContact O-N 2.77Å; I189-K191 PolarHBondContact O-N 3.1Å; K191-K194 PolarHBondContact O-N 2.88Å; K191-Y195 PolarHBondContact O-N 3.04Å |
| 192 | R | 92.6 | Very high | 92 | Very high | 211 Ų | 211 | 122.5 Ų | 122.5 | 80% | 0.796 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.9 | -41.7 | 176.3 | -174.3 | 179.3 | 178.4 | -178.6 | -0.2 | 111.6 | Q188 I189 E190 K194 Y195 | Q188-R192 WeakPolarHBondContact O-CB 3.47Å; Q188-R192 PolarHBondContact O-N 3.31Å; I189-R192 WeakPolarHBondContact O-CB 3.47Å; I189-R192 PolarHBondContact O-N 3.31Å; I189-R192 VanDerWaalsContact O-N 3.17Å; E190-R192 VanDerWaalsContact C-N 3.3Å; E190-R192 PolarHBondContact O-N 3.19Å; R192-K194 PolarHBondContact O-N 3.03Å; R192-Y195 WeakPolarHBondContact O-CB 3.37Å; R192-Y195 PolarHBondContact O-N 3.4Å; R192-Y195 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 92.9 | Very high | 91.5 | Very high | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.9 | -34.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I189 E190 Y195 | I189-A193 PolarHBondContact O-N 2.9Å; E190-A193 PolarHBondContact O-N 3.09Å; A193-Y195 VanDerWaalsContact C-N 3.3Å; A193-Y195 PolarHBondContact O-N 3.01Å |
| 194 | K | 92.8 | Very high | 91.1 | Very high | 134 Ų | 134 | 127.4 Ų | 127.4 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -1 | 179 | -66.6 | 164.4 | -174.5 | 162.7 | 0 | 114.1 | E190 K191 R192 S196 R197 | E190-K194 WeakPolarHBondContact O-CG 3.39Å; E190-K194 PolarHBondContact O-N 3.28Å; E190-K194 VanDerWaalsContact O-N 3.16Å; E190-K194 IonicContact OE2-NZ 3.1Å; E190-K194 PolarHBondContact OE2-NZ 3.48Å; K191-K194 PolarHBondContact O-N 2.88Å; R192-K194 PolarHBondContact O-N 3.03Å; K194-S196 PolarHBondContact O-N 2.83Å; K194-R197 WeakPolarHBondContact O-CG 3.23Å |
| 195 | Y | 88.9 | Confident | 90.8 | Very high | 176 Ų | 176 | 126.6 Ų | 126.6 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -60.9 | -43.9 | -177.4 | -177.1 | -104.5 | 0 | 0 | 0 | 112.7 | K191 R192 A193 | K191-Y195 PolarHBondContact O-N 3.04Å; R192-Y195 WeakPolarHBondContact O-CB 3.37Å; R192-Y195 PolarHBondContact O-N 3.4Å; R192-Y195 VanDerWaalsContact O-N 3.14Å; A193-Y195 VanDerWaalsContact C-N 3.3Å; A193-Y195 PolarHBondContact O-N 3.01Å |
| 196 | S | 87.6 | Confident | 90.3 | Very high | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -98.6 | 95.5 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | K194 | K194-S196 PolarHBondContact O-N 2.83Š|
| 197 | R | 87.6 | Confident | 89.9 | Confident | 221 Ų | 221 | 130.9 Ų | 130.9 | 83% | 0.834 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 132.8 | 178.4 | -56.2 | 179.1 | 85.4 | -178.3 | 4.8 | 110.6 | K194 R199 | K194-R197 WeakPolarHBondContact O-CG 3.23Å; R197-R199 PolarHBondContact O-N 2.98Å |
| 198 | R | 85.3 | Confident | 89.5 | Confident | 232 Ų | 232 | 131.9 Ų | 131.9 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.2 | 172.7 | -70.5 | -174.8 | 177.9 | -111.1 | 2.5 | 109.3 | ||
| 199 | R | 86.5 | Confident | 89.3 | Confident | 226 Ų | 226 | 131.8 Ų | 131.8 | 85% | 0.853 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.2 | 169.6 | -64.3 | 179.2 | -176.1 | 165.2 | -1.2 | 108.5 | R197 Y201 | R197-R199 PolarHBondContact O-N 2.98Å; R199-Y201 PolarHBondContact O-N 2.86Å |
| 200 | A | 86.8 | Confident | 89.1 | Confident | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 138.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 201 | Y | 85.4 | Confident | 89 | Confident | 136 Ų | 136 | 133.5 Ų | 133.5 | 53% | 0.533 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -78.4 | 130.5 | 172.3 | -175.1 | -103.9 | 0 | 0 | 0 | 108.1 | R199 D203 Y209 | R199-Y201 PolarHBondContact O-N 2.86Å; Y201-D203 HydrophobicContact CD1-CB 4.46Å; Y201-D203 HydrophobicContact CE1-CB 4.12Å; Y201-Y209 VanDerWaalsContact CE2-OH 3.25Å; Y201-Y209 WeakPolarHBondContact CE2-OH 3.22Å; Y201-Y209 PolarHBondContact OH-OH 3.18Å |
| 202 | N | 86.7 | Confident | 88.8 | Confident | 91 Ų | 91 | 134.5 Ų | 134.5 | 49% | 0.487 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -103 | 116.6 | 171.3 | -172.7 | 12.3 | 0 | 0 | 0 | 106.9 | D204 A205 | N202-D204 PolarHBondContact OD1-N 3.43Å; N202-A205 HydrophobicContact CB-CB 4.36Å |
| 203 | D | 87.5 | Confident | 88.9 | Confident | 120 Ų | 120 | 134.7 Ų | 134.7 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -23.2 | 179.3 | 51.9 | -24.1 | 0 | 0 | 0 | 113 | Y201 A205 | Y201-D203 HydrophobicContact CD1-CB 4.46Å; Y201-D203 HydrophobicContact CE1-CB 4.12Å; D203-A205 VanDerWaalsContact C-N 3.25Å; D203-A205 PolarHBondContact O-N 2.88Å |
| 204 | D | 88.8 | Confident | 88.9 | Confident | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -5.8 | 175.9 | -65.2 | -32.2 | 0 | 0 | 0 | 113.9 | N202 | N202-D204 PolarHBondContact OD1-N 3.43Š|
| 205 | A | 87.3 | Confident | 88.8 | Confident | 49 Ų | 49 | 127.3 Ų | 127.3 | 41% | 0.405 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -79.6 | 137.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | N202 D203 I207 | N202-A205 HydrophobicContact CB-CB 4.36Å; D203-A205 VanDerWaalsContact C-N 3.25Å; D203-A205 PolarHBondContact O-N 2.88Å; A205-I207 PolarHBondContact O-N 2.85Å |
| 206 | D | 86.9 | Confident | 89 | Confident | 163 Ų | 163 | 124.8 Ų | 124.8 | 87% | 0.872 | 60% | 0.604 | S | S | * | * | trans | -55.1 | 123.1 | 175.6 | -65.1 | -39.1 | 0 | 0 | 0 | 111.4 | D208 | D206-D208 PolarHBondContact O-N 3.45Š| ||
| 207 | I | 88.8 | Confident | 89.4 | Confident | 104 Ų | 104 | 126.2 Ų | 126.2 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | trans | -87.6 | 104.7 | -175.3 | -58.4 | 173 | 0 | 0 | 0 | 108.9 | A205 Y209 | A205-I207 PolarHBondContact O-N 2.85Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 HydrophobicContact CG2-CD1 4.09Å; I207-Y209 HydrophobicContact CG2-CD2 4.13Å; I207-Y209 HydrophobicContact CG2-CE1 4.01Å; I207-Y209 HydrophobicContact CG2-CE2 4.02Å; I207-Y209 HydrophobicContact CG2-CG 4.16Å; I207-Y209 VanDerWaalsContact CG2-O 3.26Å; I207-Y209 WeakPolarHBondContact CG2-O 3.49Å | ||
| 208 | D | 88 | Confident | 89.6 | Confident | 109 Ų | 109 | 117.2 Ų | 117.2 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | trans | -90.4 | 10.4 | 177.8 | 70.1 | 5.4 | 0 | 0 | 0 | 114 | D206 N218 | D206-D208 PolarHBondContact O-N 3.45Å; D208-N218 VanDerWaalsContact CG-ND2 3.27Å; D208-N218 PolarHBondContact O-ND2 3.1Å; D208-N218 PolarHBondContact OD1-ND2 3.33Å | ||
| 209 | Y | 90.6 | Very high | 90 | Very high | 58 Ų | 58 | 111.7 Ų | 111.7 | 23% | 0.227 | 55% | 0.548 | C | S | . | . | trans | -137.5 | 150.1 | -171.6 | 63.2 | -98 | 0 | 0 | 0 | 113.6 | Y201 I207 A215 | Y201-Y209 VanDerWaalsContact CE2-OH 3.25Å; Y201-Y209 WeakPolarHBondContact CE2-OH 3.22Å; Y201-Y209 PolarHBondContact OH-OH 3.18Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 HydrophobicContact CG2-CD1 4.09Å; I207-Y209 HydrophobicContact CG2-CD2 4.13Å; I207-Y209 HydrophobicContact CG2-CE1 4.01Å; I207-Y209 HydrophobicContact CG2-CE2 4.02Å; I207-Y209 HydrophobicContact CG2-CG 4.16Å; I207-Y209 VanDerWaalsContact CG2-O 3.26Å; I207-Y209 WeakPolarHBondContact CG2-O 3.49Å; Y209-A215 HydrophobicContact CD1-CB 3.46Å; Y209-A215 VanDerWaalsContact CD1-CB 3.46Å; Y209-A215 HydrophobicContact CD2-CB 3.6Å; Y209-A215 HydrophobicContact CE1-CB 3.66Å; Y209-A215 HydrophobicContact CE2-CB 3.81Å; Y209-A215 HydrophobicContact CG-CB 3.43Å; Y209-A215 VanDerWaalsContact CG-CB 3.43Å | ||
| 210 | I | 91.3 | Very high | 90.4 | Very high | 167 Ų | 167 | 106.9 Ų | 106.9 | 86% | 0.856 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -95.6 | -31.3 | 176.8 | -58.2 | 167.3 | 0 | 0 | 0 | 111.5 | ||
| 211 | N | 93 | Very high | 90.8 | Very high | 85 Ų | 85 | 103.5 Ų | 103.5 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -134.9 | 162.4 | -177.5 | 70.4 | 47.7 | 0 | 0 | 0 | 112.5 | R213 N214 A215 | N211-R213 VanDerWaalsContact C-N 3.29Å; N211-R213 PolarHBondContact O-N 3.39Å; N211-R213 PolarHBondContact OD1-N 2.87Å; N211-R213 VanDerWaalsContact OD1-N 3.15Å; N211-N214 WeakPolarHBondContact O-CB 3.36Å; N211-N214 PolarHBondContact O-N 3.5Å; N211-N214 WeakPolarHBondContact OD1-CB 3.49Å; N211-N214 PolarHBondContact OD1-N 2.86Å; N211-A215 PolarHBondContact O-N 2.99Å |
| 212 | E | 89.7 | Confident | 91.2 | Very high | 115 Ų | 115 | 101.6 Ų | 101.6 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -32 | -176.8 | -162.7 | -157.3 | 160.2 | 0 | 0 | 112.9 | A215 K216 | E212-A215 WeakPolarHBondContact O-CB 3.41Å; E212-A215 PolarHBondContact O-N 3Å; E212-K216 WeakPolarHBondContact O-CG 3.43Å; E212-K216 PolarHBondContact O-N 3.47Å; E212-K216 VanDerWaalsContact O-N 3.11Å; E212-K216 WeakPolarHBondContact OE1-CE 3.22Å; E212-K216 IonicContact OE1-NZ 3.23Å; E212-K216 PolarHBondContact OE1-NZ 3.3Å |
| 213 | R | 93.8 | Very high | 91.6 | Very high | 216 Ų | 216 | 105.8 Ų | 105.8 | 82% | 0.815 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.7 | -40.9 | 177.1 | -68.8 | -174.5 | -180 | -177.1 | 0.6 | 110.9 | N211 K216 F217 | N211-R213 VanDerWaalsContact C-N 3.29Å; N211-R213 PolarHBondContact O-N 3.39Å; N211-R213 PolarHBondContact OD1-N 2.87Å; N211-R213 VanDerWaalsContact OD1-N 3.15Å; R213-K216 PolarHBondContact O-N 3.04Å; R213-F217 PolarHBondContact O-N 3.07Å |
| 214 | N | 93.4 | Very high | 92 | Very high | 52 Ų | 52 | 106.3 Ų | 106.3 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.2 | -169.4 | 1.6 | 0 | 0 | 0 | 109.9 | N211 K216 F217 N218 | N211-N214 WeakPolarHBondContact O-CB 3.36Å; N211-N214 PolarHBondContact O-N 3.5Å; N211-N214 WeakPolarHBondContact OD1-CB 3.49Å; N211-N214 PolarHBondContact OD1-N 2.86Å; N214-K216 VanDerWaalsContact C-N 3.28Å; N214-K216 PolarHBondContact O-N 3.38Å; N214-F217 CarbonylContact O-C 3.58Å; N214-F217 WeakPolarHBondContact O-CA 3.44Å; N214-F217 WeakPolarHBondContact O-CB 3.28Å; N214-F217 PolarHBondContact O-N 3.39Å; N214-N218 PolarHBondContact O-N 2.94Å; N214-N218 PolarHBondContact OD1-ND2 3.45Å; N214-N218 PolarHBondContact OD1-OD1 3.35Å |
| 215 | A | 91.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 106.8 Ų | 106.8 | 5% | 0.05 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -54.5 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y209 N211 E212 K219 | Y209-A215 HydrophobicContact CD1-CB 3.46Å; Y209-A215 VanDerWaalsContact CD1-CB 3.46Å; Y209-A215 HydrophobicContact CD2-CB 3.6Å; Y209-A215 HydrophobicContact CE1-CB 3.66Å; Y209-A215 HydrophobicContact CE2-CB 3.81Å; Y209-A215 HydrophobicContact CG-CB 3.43Å; Y209-A215 VanDerWaalsContact CG-CB 3.43Å; N211-A215 PolarHBondContact O-N 2.99Å; E212-A215 WeakPolarHBondContact O-CB 3.41Å; E212-A215 PolarHBondContact O-N 3Å; A215-K219 VanDerWaalsContact O-CB 3.31Å; A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 WeakPolarHBondContact O-CG 3.45Å; A215-K219 PolarHBondContact O-N 3.29Å |
| 216 | K | 92.6 | Very high | 92.7 | Very high | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 176.5 | -72.3 | 173.7 | -174.1 | 162.2 | 0 | 112.1 | E212 R213 N214 K220 | E212-K216 WeakPolarHBondContact O-CG 3.43Å; E212-K216 PolarHBondContact O-N 3.47Å; E212-K216 VanDerWaalsContact O-N 3.11Å; E212-K216 WeakPolarHBondContact OE1-CE 3.22Å; E212-K216 IonicContact OE1-NZ 3.23Å; E212-K216 PolarHBondContact OE1-NZ 3.3Å; R213-K216 PolarHBondContact O-N 3.04Å; N214-K216 VanDerWaalsContact C-N 3.28Å; N214-K216 PolarHBondContact O-N 3.38Å; K216-K220 PolarHBondContact O-N 2.88Å |
| 217 | F | 95.4 | Very high | 93.1 | Very high | 135 Ų | 135 | 105.7 Ų | 105.7 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.3 | -49.1 | 175.5 | -178 | -94.9 | 0 | 0 | 0 | 111.7 | R213 N214 K219 K220 A221 | R213-F217 PolarHBondContact O-N 3.07Å; N214-F217 CarbonylContact O-C 3.58Å; N214-F217 WeakPolarHBondContact O-CA 3.44Å; N214-F217 WeakPolarHBondContact O-CB 3.28Å; N214-F217 PolarHBondContact O-N 3.39Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-K219 PolarHBondContact O-N 3.49Å; F217-K220 CarbonylContact O-C 3.6Å; F217-K220 WeakPolarHBondContact O-CA 3.43Å; F217-K220 VanDerWaalsContact O-CB 3.28Å; F217-K220 WeakPolarHBondContact O-CB 3.3Å; F217-K220 PolarHBondContact O-N 3.31Å; F217-A221 PolarHBondContact O-N 2.81Å |
| 218 | N | 93.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 109.1 Ų | 109.1 | 18% | 0.176 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 173.9 | -69.3 | -6.5 | 0 | 0 | 0 | 111 | D208 N214 K220 A221 E222 | D208-N218 VanDerWaalsContact CG-ND2 3.27Å; D208-N218 PolarHBondContact O-ND2 3.1Å; D208-N218 PolarHBondContact OD1-ND2 3.33Å; N214-N218 PolarHBondContact O-N 2.94Å; N214-N218 PolarHBondContact OD1-ND2 3.45Å; N214-N218 PolarHBondContact OD1-OD1 3.35Å; N218-K220 PolarHBondContact O-N 3.4Å; N218-A221 WeakPolarHBondContact O-CB 3.23Å; N218-A221 PolarHBondContact O-N 3.24Å; N218-A221 VanDerWaalsContact O-N 3.13Å; N218-E222 WeakPolarHBondContact O-CB 3.45Å; N218-E222 PolarHBondContact O-N 3.41Å |
| 219 | K | 92.9 | Very high | 93.7 | Very high | 115 Ų | 115 | 106.4 Ų | 106.4 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -25.1 | 172.4 | -75.7 | 172.5 | -176.3 | 173.9 | 0 | 114.1 | A215 F217 R223 | A215-K219 VanDerWaalsContact O-CB 3.31Å; A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 WeakPolarHBondContact O-CG 3.45Å; A215-K219 PolarHBondContact O-N 3.29Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-K219 PolarHBondContact O-N 3.49Å; K219-R223 WeakPolarHBondContact O-CG 3.33Å; K219-R223 PolarHBondContact O-NE 2.95Å |
| 220 | K | 95.4 | Very high | 93.8 | Very high | 125 Ų | 125 | 105.7 Ų | 105.7 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78 | -47.9 | 172.8 | -174.6 | -178.3 | 177 | -176 | 0 | 109.2 | K216 F217 N218 E222 R223 F224 | K216-K220 PolarHBondContact O-N 2.88Å; F217-K220 CarbonylContact O-C 3.6Å; F217-K220 WeakPolarHBondContact O-CA 3.43Å; F217-K220 VanDerWaalsContact O-CB 3.28Å; F217-K220 WeakPolarHBondContact O-CB 3.3Å; F217-K220 PolarHBondContact O-N 3.31Å; N218-K220 PolarHBondContact O-N 3.4Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E222 PolarHBondContact O-N 3.14Å; K220-R223 PolarHBondContact O-N 3.46Å; K220-F224 HydrophobicContact CG-CD2 4.12Å; K220-F224 HydrophobicContact CG-CE2 3.88Å; K220-F224 VanDerWaalsContact O-CD2 3.24Å; K220-F224 WeakPolarHBondContact O-CD2 3.43Å; K220-F224 PolarHBondContact O-N 3.21Å |
| 221 | A | 94.7 | Very high | 93.9 | Very high | 31 Ų | 31 | 104.5 Ų | 104.5 | 26% | 0.256 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -55.4 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F217 N218 R223 F224 Y225 | F217-A221 PolarHBondContact O-N 2.81Å; N218-A221 WeakPolarHBondContact O-CB 3.23Å; N218-A221 PolarHBondContact O-N 3.24Å; N218-A221 VanDerWaalsContact O-N 3.13Å; A221-R223 VanDerWaalsContact C-N 3.3Å; A221-R223 PolarHBondContact O-N 2.88Å; A221-F224 PolarHBondContact O-N 2.91Å; A221-F224 VanDerWaalsContact O-N 3.11Å; A221-Y225 HydrophobicContact CB-CD2 4.25Å; A221-Y225 WeakPolarHBondContact O-CB 3.24Å; A221-Y225 PolarHBondContact O-N 2.89Å |
| 222 | E | 93.9 | Very high | 93.8 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 179.4 | -172.7 | 67.4 | 171.3 | 0 | 0 | 112.9 | N218 K220 F224 G226 K233 | N218-E222 WeakPolarHBondContact O-CB 3.45Å; N218-E222 PolarHBondContact O-N 3.41Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E222 PolarHBondContact O-N 3.14Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 3.27Å; E222-G226 VanDerWaalsContact O-CA 3.28Å; E222-G226 WeakPolarHBondContact O-CA 3.49Å; E222-G226 PolarHBondContact O-N 3.38Å; E222-K233 IonicContact OE1-NZ 2.67Å |
| 223 | R | 94.5 | Very high | 93.9 | Very high | 179 Ų | 179 | 104.5 Ų | 104.5 | 68% | 0.675 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.2 | -33.1 | 177.4 | -72.1 | 175.8 | -136.4 | -176.9 | 0.3 | 113.4 | K219 K220 A221 | K219-R223 WeakPolarHBondContact O-CG 3.33Å; K219-R223 PolarHBondContact O-NE 2.95Å; K220-R223 PolarHBondContact O-N 3.46Å; A221-R223 VanDerWaalsContact C-N 3.3Å; A221-R223 PolarHBondContact O-N 2.88Å |
| 224 | F | 95.8 | Very high | 93.8 | Very high | 131 Ų | 131 | 98.2 Ų | 98.2 | 58% | 0.575 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -94.1 | -45.7 | -177.1 | -71.4 | -77.4 | 0 | 0 | 0 | 111.9 | K220 A221 E222 Y228 | K220-F224 HydrophobicContact CG-CD2 4.12Å; K220-F224 HydrophobicContact CG-CE2 3.88Å; K220-F224 VanDerWaalsContact O-CD2 3.24Å; K220-F224 WeakPolarHBondContact O-CD2 3.43Å; K220-F224 PolarHBondContact O-N 3.21Å; A221-F224 PolarHBondContact O-N 2.91Å; A221-F224 VanDerWaalsContact O-N 3.11Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 3.27Å; F224-Y228 WeakPolarHBondContact O-CD2 3.23Å; F224-Y228 WeakPolarHBondContact O-CE2 3.46Å |
| 225 | Y | 96.3 | Very high | 93.7 | Very high | 151 Ų | 151 | 97.5 Ų | 97.5 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -99.3 | -23.8 | -171.8 | -58.7 | -62.8 | 0 | 0 | 0 | 113.7 | A221 K227 Y228 T229 | A221-Y225 HydrophobicContact CB-CD2 4.25Å; A221-Y225 WeakPolarHBondContact O-CB 3.24Å; A221-Y225 PolarHBondContact O-N 2.89Å; Y225-K227 PolarHBondContact O-N 2.9Å; Y225-K227 VanDerWaalsContact O-N 3.08Å; Y225-Y228 CarbonylContact O-C 3.54Å; Y225-Y228 WeakPolarHBondContact O-CA 3.49Å; Y225-Y228 PolarHBondContact O-N 3.21Å; Y225-T229 PolarHBondContact O-N 3.17Å; Y225-T229 PolarHBondContact O-OG1 3.47Å; Y225-T229 VanDerWaalsContact O-OG1 3.07Å |
| 226 | G | 94.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 102.6 Ų | 102.6 | 13% | 0.134 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E222 Y228 A230 | E222-G226 VanDerWaalsContact O-CA 3.28Å; E222-G226 WeakPolarHBondContact O-CA 3.49Å; E222-G226 PolarHBondContact O-N 3.38Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 3.48Å; G226-A230 PolarHBondContact O-N 3.29Å |
| 227 | K | 95.9 | Very high | 93.4 | Very high | 176 Ų | 176 | 103.5 Ų | 103.5 | 77% | 0.765 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36 | 173.1 | -175.7 | 178.5 | 177.4 | -175.2 | 0 | 112.8 | Y225 | Y225-K227 PolarHBondContact O-N 2.9Å; Y225-K227 VanDerWaalsContact O-N 3.08Å |
| 228 | Y | 96.1 | Very high | 93.2 | Very high | 177 Ų | 177 | 104.3 Ų | 104.3 | 69% | 0.694 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -27.6 | -176.5 | -55.5 | -72.6 | 0 | 0 | 0 | 112.5 | F224 Y225 G226 | F224-Y228 WeakPolarHBondContact O-CD2 3.23Å; F224-Y228 WeakPolarHBondContact O-CE2 3.46Å; Y225-Y228 CarbonylContact O-C 3.54Å; Y225-Y228 WeakPolarHBondContact O-CA 3.49Å; Y225-Y228 PolarHBondContact O-N 3.21Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 3.48Å |
| 229 | T | 93.9 | Very high | 92.9 | Very high | 52 Ų | 52 | 105.4 Ų | 105.4 | 32% | 0.319 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -97.9 | 10.5 | -178.2 | 60 | 0 | 0 | 0 | 0 | 113.4 | Y225 E231 I232 K233 | Y225-T229 PolarHBondContact O-N 3.17Å; Y225-T229 PolarHBondContact O-OG1 3.47Å; Y225-T229 VanDerWaalsContact O-OG1 3.07Å; T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 PolarHBondContact O-N 3.17Å; T229-I232 PolarHBondContact O-N 3.44Å; T229-K233 PolarHBondContact O-N 2.63Å |
| 230 | A | 92.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 105.1 Ų | 105.1 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G226 K233 Q234 | G226-A230 PolarHBondContact O-N 3.29Å; A230-K233 PolarHBondContact O-N 2.94Å; A230-Q234 WeakPolarHBondContact O-CG 3.29Å; A230-Q234 PolarHBondContact O-N 3.41Å |
| 231 | E | 92 | Very high | 90.8 | Very high | 142 Ų | 142 | 102 Ų | 102 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 177.8 | -174.1 | 176.1 | -177.1 | 0 | 0 | 112 | T229 K233 Q234 N235 | T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 PolarHBondContact O-N 3.17Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.25Å; E231-Q234 PolarHBondContact O-N 3.31Å; E231-N235 VanDerWaalsContact O-CG 3.25Å; E231-N235 PolarHBondContact O-N 3.15Å; E231-N235 PolarHBondContact O-OD1 3.1Å |
| 232 | I | 91.7 | Very high | 89 | Confident | 104 Ų | 104 | 109.6 Ų | 109.6 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.5 | -59.8 | 173.2 | 0 | 0 | 0 | 110.4 | T229 N235 L236 | T229-I232 PolarHBondContact O-N 3.44Å; I232-N235 PolarHBondContact O-N 3.01Å; I232-L236 HydrophobicContact CG2-CD1 4.3Å; I232-L236 WeakPolarHBondContact O-CG 3.5Å; I232-L236 PolarHBondContact O-N 3.06Å |
| 233 | K | 91.3 | Very high | 88.8 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 42% | 0.422 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -45.1 | 177.6 | -172 | 175.5 | -178 | 175.9 | 0 | 111.8 | E222 T229 A230 E231 N235 L236 E237 | E222-K233 IonicContact OE1-NZ 2.67Å; T229-K233 PolarHBondContact O-N 2.63Å; A230-K233 PolarHBondContact O-N 2.94Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.25Å; K233-N235 VanDerWaalsContact C-N 3.32Å; K233-N235 PolarHBondContact O-N 2.96Å; K233-L236 WeakPolarHBondContact O-CB 3.33Å; K233-L236 PolarHBondContact O-N 3.19Å; K233-E237 WeakPolarHBondContact CE-OE1 3.49Å; K233-E237 WeakPolarHBondContact O-CG 3.14Å; K233-E237 PolarHBondContact O-N 2.94Å |
| 234 | Q | 91.9 | Very high | 88.5 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 175.8 | -69 | 178 | 21 | 0 | 0 | 112.4 | A230 E231 L236 E237 R238 | A230-Q234 WeakPolarHBondContact O-CG 3.29Å; A230-Q234 PolarHBondContact O-N 3.41Å; E231-Q234 PolarHBondContact O-N 3.31Å; Q234-L236 VanDerWaalsContact C-N 3.32Å; Q234-L236 PolarHBondContact O-N 2.93Å; Q234-E237 PolarHBondContact O-N 2.99Å; Q234-R238 WeakPolarHBondContact O-CB 2.87Å; Q234-R238 VanDerWaalsContact O-CG 3.27Å; Q234-R238 WeakPolarHBondContact O-CG 3.38Å; Q234-R238 PolarHBondContact O-N 3.42Å; Q234-R238 VanDerWaalsContact OE1-NH1 3.15Å |
| 235 | N | 91.8 | Very high | 88.1 | Confident | 37 Ų | 37 | 105.4 Ų | 105.4 | 20% | 0.198 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 177.5 | -66.3 | -7.7 | 0 | 0 | 0 | 111 | E231 I232 K233 R238 G239 T240 | E231-N235 VanDerWaalsContact O-CG 3.25Å; E231-N235 PolarHBondContact O-N 3.15Å; E231-N235 PolarHBondContact O-OD1 3.1Å; I232-N235 PolarHBondContact O-N 3.01Å; K233-N235 VanDerWaalsContact C-N 3.32Å; K233-N235 PolarHBondContact O-N 2.96Å; N235-R238 PolarHBondContact O-N 2.98Å; N235-G239 PolarHBondContact O-N 3.32Å; N235-T240 VanDerWaalsContact O-CA 3.31Å; N235-T240 WeakPolarHBondContact O-CA 3.42Å; N235-T240 PolarHBondContact O-N 3.48Å |
| 236 | L | 90 | Very high | 87.6 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 172.9 | -71.3 | 166.8 | 0 | 0 | 0 | 111.9 | I232 K233 Q234 R238 G239 T240 | I232-L236 HydrophobicContact CG2-CD1 4.3Å; I232-L236 WeakPolarHBondContact O-CG 3.5Å; I232-L236 PolarHBondContact O-N 3.06Å; K233-L236 WeakPolarHBondContact O-CB 3.33Å; K233-L236 PolarHBondContact O-N 3.19Å; Q234-L236 VanDerWaalsContact C-N 3.32Å; Q234-L236 PolarHBondContact O-N 2.93Å; L236-R238 PolarHBondContact O-N 3.47Å; L236-G239 PolarHBondContact O-N 3.02Å; L236-G239 VanDerWaalsContact O-N 3.1Å; L236-T240 HydrophobicContact CD2-CG2 4.09Å |
| 237 | E | 88.1 | Confident | 87.2 | Confident | 141 Ų | 141 | 108.3 Ų | 108.3 | 66% | 0.659 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -28.1 | 177.1 | -69 | 168.8 | -169.3 | 0 | 0 | 112.4 | K233 Q234 G239 | K233-E237 WeakPolarHBondContact CE-OE1 3.49Å; K233-E237 WeakPolarHBondContact O-CG 3.14Å; K233-E237 PolarHBondContact O-N 2.94Å; Q234-E237 PolarHBondContact O-N 2.99Å; E237-G239 VanDerWaalsContact C-N 3.3Å |
| 238 | R | 91.5 | Very high | 86.6 | Confident | 153 Ų | 153 | 103.8 Ų | 103.8 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 5.9 | 174.6 | -69.1 | 177.4 | -171.3 | 122.5 | 8.7 | 114.1 | Q234 N235 L236 | Q234-R238 WeakPolarHBondContact O-CB 2.87Å; Q234-R238 VanDerWaalsContact O-CG 3.27Å; Q234-R238 WeakPolarHBondContact O-CG 3.38Å; Q234-R238 PolarHBondContact O-N 3.42Å; Q234-R238 VanDerWaalsContact OE1-NH1 3.15Å; N235-R238 PolarHBondContact O-N 2.98Å; L236-R238 PolarHBondContact O-N 3.47Å |
| 239 | G | 86.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 34.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | N235 L236 E237 A241 | N235-G239 PolarHBondContact O-N 3.32Å; L236-G239 PolarHBondContact O-N 3.02Å; L236-G239 VanDerWaalsContact O-N 3.1Å; E237-G239 VanDerWaalsContact C-N 3.3Å; G239-A241 PolarHBondContact O-N 2.83Å; G239-A241 VanDerWaalsContact O-N 3.16Å |
| 240 | T | 78.8 | Confident | 85.3 | Confident | 109 Ų | 109 | 102.2 Ų | 102.2 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 63.7 | 11.9 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 115.8 | N235 L236 | N235-T240 VanDerWaalsContact O-CA 3.31Å; N235-T240 WeakPolarHBondContact O-CA 3.42Å; N235-T240 PolarHBondContact O-N 3.48Å; L236-T240 HydrophobicContact CD2-CG2 4.09Å |
| 241 | A | 64.2 | Low | 84.7 | Confident | 60 Ų | 60 | 107.2 Ų | 107.2 | 50% | 0.496 | 58% | 0.577 | S | S | . | * | trans | -72.7 | 127.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | G239 | G239-A241 PolarHBondContact O-N 2.83Å; G239-A241 VanDerWaalsContact O-N 3.16Å | ||
| 242 | V | 58.4 | Low | 84 | Confident | 191 Ų | 191 | 104 Ų | 104 | 100% | 1.158 | 57% | 0.569 | S | S | * | * | trans | -77.1 | 0 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 242 of 242 residues in 522.2 ms
(Link to these results)