| 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 | 38.2 | Very low | 41.3 | Very low | 247 Ų | 247 | 114.5 Ų | 114.5 | 100% | 1.217 | 84% | 0.836 | S | S | * | * | 0 | 133 | 0 | -78.3 | 171.5 | 169.9 | 0 | 0 | 107.6 | |||||
| 2 | A | 40.5 | Very low | 41 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | 20.1 | 134.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3 | S | 43.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 108.9 Ų | 108.9 | 74% | 0.741 | 83% | 0.832 | S | S | * | * | -167.7 | 126.5 | 62 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 4 | S | 45.2 | Very low | 41.5 | Very low | 118 Ų | 118 | 111.3 Ų | 111.3 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | 33.7 | 120.3 | 99.2 | -86.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 5 | G | 39.6 | Very low | 42.1 | Very low | 73 Ų | 73 | 112.5 Ų | 112.5 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | cis | 115.5 | 131.6 | 29.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 6 | G | 40.5 | Very low | 41.9 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | 70.8 | 146.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 7 | G | 37.6 | Very low | 42.4 | Very low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 85% | 0.845 | S | S | * | * | cis | 170 | 150.6 | 9 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 8 | N | 47.9 | Very low | 42.4 | Very low | 140 Ų | 140 | 112.5 Ų | 112.5 | 75% | 0.749 | 84% | 0.838 | S | S | * | * | trans | -29 | 153.9 | 170.6 | 82.5 | 90.7 | 0 | 0 | 0 | 117 | ||||
| 9 | T | 40.2 | Very low | 42.8 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | -179.7 | 143.7 | 118.6 | 25.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 10 | G | 37.8 | Very low | 42.9 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | trans | 114.6 | 69.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | A | 43.4 | Very low | 43.2 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | 58.7 | 102.1 | 81.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 12 | G | 37.6 | Very low | 43.6 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -168.4 | 79.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | G | 45.7 | Very low | 43.7 | Very low | 77 Ų | 77 | 111.5 Ų | 111.5 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -77.5 | 134.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | T | 43.2 | Very low | 43.7 | Very low | 142 Ų | 142 | 111.8 Ų | 111.8 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | trans | -147.3 | 143.1 | 143 | 66.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 15 | S | 50.4 | Low | 43.8 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -59.6 | 137.6 | -170.6 | -48.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 16 | G | 39.9 | Very low | 43.7 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -157.5 | 98.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | G18 | G16-G18 PolarHBondContact O-N 3.23Š| ||
| 17 | L | 49.9 | Very low | 44.2 | Very low | 193 Ų | 193 | 119.2 Ų | 119.2 | 100% | 1.01 | 83% | 0.829 | S | S | * | * | trans | -63.9 | 112.7 | 167.3 | -69.4 | 163.6 | 0 | 0 | 0 | 108.1 | ||||
| 18 | G | 42 | Very low | 44.4 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -154.9 | 96 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G16 G20 | G16-G18 PolarHBondContact O-N 3.23Å; G18-G20 PolarHBondContact O-N 2.91Å | ||
| 19 | L | 50.8 | Low | 44.3 | Very low | 185 Ų | 185 | 121 Ų | 121 | 97% | 0.969 | 83% | 0.831 | S | S | * | * | trans | -66.4 | 97.2 | 168.6 | -72.4 | 160.3 | 0 | 0 | 0 | 108.9 | ||||
| 20 | G | 43.7 | Very low | 44.4 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -98.4 | 98 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G18 G22 | G18-G20 PolarHBondContact O-N 2.91Å; G20-G22 PolarHBondContact O-N 3.07Å | ||
| 21 | L | 50.3 | Low | 44.8 | Very low | 165 Ų | 165 | 119.9 Ų | 119.9 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -56 | 116 | 167.6 | -77.1 | 150.8 | 0 | 0 | 0 | 110.6 | ||||
| 22 | G | 45.5 | Very low | 45 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -131.8 | 64.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G20 | G20-G22 PolarHBondContact O-N 3.07Š| ||
| 23 | L | 42.9 | Very low | 45.6 | Very low | 164 Ų | 164 | 118 Ų | 118 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 118.1 | 171.4 | -81.8 | 167.9 | 0 | 0 | 0 | 109.5 | ||||
| 24 | S | 43.3 | Very low | 46.2 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -49.9 | 145.1 | 173.8 | -141.9 | 0 | 0 | 0 | 0 | 113.1 | G26 | S24-G26 PolarHBondContact O-N 3.14Å; S24-G26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | L | 47.8 | Very low | 46.9 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -34.3 | 107.3 | 162.5 | -110.8 | 140.7 | 0 | 0 | 0 | 112.5 | ||||
| 26 | G | 37.5 | Very low | 47.3 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -125.4 | 104.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | S24 G28 | S24-G26 PolarHBondContact O-N 3.14Å; S24-G26 VanDerWaalsContact O-N 3.11Å; G26-G28 PolarHBondContact O-N 3.07Å | ||
| 27 | M | 49.9 | Very low | 48.2 | Very low | 189 Ų | 189 | 122.1 Ų | 122.1 | 93% | 0.931 | 75% | 0.749 | S | S | * | * | trans | -53.7 | 95.3 | 176.2 | -159.9 | 100.3 | 79.7 | 0 | 0 | 110.3 | ||||
| 28 | G | 41.5 | Very low | 49.1 | Very low | 59 Ų | 59 | 115.7 Ų | 115.7 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | -101.5 | 88.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G26 A30 | G26-G28 PolarHBondContact O-N 3.07Å; G28-A30 PolarHBondContact O-N 3.49Å | ||
| 29 | E | 46.7 | Very low | 50.3 | Low | 184 Ų | 184 | 115.3 Ų | 115.3 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | 29.4 | 52.7 | 118.6 | -155.7 | 146.8 | 81.8 | 0 | 0 | 117.2 | |||||
| 30 | A | 43.2 | Very low | 51.2 | Low | 74 Ų | 74 | 108.8 Ų | 108.8 | 61% | 0.612 | 69% | 0.687 | S | S | * | * | trans | -132.4 | 9.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G28 | G28-A30 PolarHBondContact O-N 3.49Š| ||
| 31 | T | 44.8 | Very low | 52.7 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -95.7 | -21.3 | 172 | 51 | 0 | 0 | 0 | 0 | 112.4 | E35 | T31-E35 WeakPolarHBondContact O-CB 3.44Å; T31-E35 PolarHBondContact O-N 3.41Å |
| 32 | G | 48.8 | Very low | 54 | Low | 40 Ų | 40 | 106.8 Ų | 106.8 | 41% | 0.412 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.4 | -46.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 E35 E36 | G32-A34 PolarHBondContact O-N 2.83Å; G32-E35 PolarHBondContact O-N 3.44Å; G32-E36 WeakPolarHBondContact O-CB 3.35Å; G32-E36 PolarHBondContact O-N 3.35Å |
| 33 | D | 50.3 | Low | 55.4 | Low | 111 Ų | 111 | 105.9 Ų | 105.9 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.7 | -34.6 | -175.2 | -56.2 | -84 | 0 | 0 | 0 | 113.4 | E37 | D33-E37 VanDerWaalsContact O-CB 3.31Å; D33-E37 WeakPolarHBondContact O-CB 3.36Å; D33-E37 PolarHBondContact O-N 3.2Å |
| 34 | A | 58.5 | Low | 57 | Low | 69 Ų | 69 | 102.8 Ų | 102.8 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.1 | -33.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G32 A38 | G32-A34 PolarHBondContact O-N 2.83Å; A34-A38 WeakPolarHBondContact O-CB 3.06Å; A34-A38 PolarHBondContact O-N 2.94Å |
| 35 | E | 57.8 | Low | 58.7 | Low | 149 Ų | 149 | 99.1 Ų | 99.1 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.2 | -35.1 | 174.8 | -165.6 | 173.8 | 160.8 | 0 | 0 | 111.1 | T31 G32 A39 | T31-E35 WeakPolarHBondContact O-CB 3.44Å; T31-E35 PolarHBondContact O-N 3.41Å; G32-E35 PolarHBondContact O-N 3.44Å; E35-A39 WeakPolarHBondContact O-CB 3.32Å; E35-A39 PolarHBondContact O-N 2.93Å |
| 36 | E | 58.9 | Low | 60.1 | Low | 143 Ų | 143 | 99.5 Ų | 99.5 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.5 | -40.6 | 174.9 | -172 | 170.8 | 142.4 | 0 | 0 | 112.5 | G32 A38 A39 A40 | G32-E36 WeakPolarHBondContact O-CB 3.35Å; G32-E36 PolarHBondContact O-N 3.35Å; E36-A38 PolarHBondContact O-N 2.94Å; E36-A39 PolarHBondContact O-N 3.45Å; E36-A40 WeakPolarHBondContact O-CB 3.36Å; E36-A40 PolarHBondContact O-N 3.5Å |
| 37 | E | 58.4 | Low | 61.7 | Low | 149 Ų | 149 | 101.4 Ų | 101.4 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.8 | -42.7 | 171.9 | -101.6 | -94.9 | 136.2 | 0 | 0 | 112 | D33 A40 A41 | D33-E37 VanDerWaalsContact O-CB 3.31Å; D33-E37 WeakPolarHBondContact O-CB 3.36Å; D33-E37 PolarHBondContact O-N 3.2Å; E37-A40 PolarHBondContact O-N 2.65Å; E37-A41 PolarHBondContact O-N 2.94Å |
| 38 | A | 67.6 | Low | 62.7 | Low | 58 Ų | 58 | 94.5 Ų | 94.5 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A34 E36 A41 E42 | A34-A38 WeakPolarHBondContact O-CB 3.06Å; A34-A38 PolarHBondContact O-N 2.94Å; E36-A38 PolarHBondContact O-N 2.94Å; A38-A41 PolarHBondContact O-N 3.22Å; A38-E42 PolarHBondContact O-N 3.04Å |
| 39 | A | 68.8 | Low | 64.4 | Low | 62 Ų | 62 | 95.7 Ų | 95.7 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.2 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E35 E36 A43 | E35-A39 WeakPolarHBondContact O-CB 3.32Å; E35-A39 PolarHBondContact O-N 2.93Å; E36-A39 PolarHBondContact O-N 3.45Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.96Å |
| 40 | A | 69.1 | Low | 65.5 | Low | 48 Ų | 48 | 90 Ų | 90 | 40% | 0.397 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E36 E37 E42 A43 V44 | E36-A40 WeakPolarHBondContact O-CB 3.36Å; E36-A40 PolarHBondContact O-N 3.5Å; E37-A40 PolarHBondContact O-N 2.65Å; A40-E42 PolarHBondContact O-N 3.23Å; A40-A43 PolarHBondContact O-N 3.35Å; A40-V44 WeakPolarHBondContact O-CB 3.23Å; A40-V44 VanDerWaalsContact O-CG2 3.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.26Å; A40-V44 PolarHBondContact O-N 3.46Å |
| 41 | A | 74.7 | Confident | 66.4 | Low | 66 Ų | 66 | 91.1 Ų | 91.1 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E37 A38 G45 | E37-A41 PolarHBondContact O-N 2.94Å; A38-A41 PolarHBondContact O-N 3.22Å; A41-G45 PolarHBondContact O-N 3.39Å |
| 42 | E | 76.9 | Confident | 67.5 | Low | 132 Ų | 132 | 93.2 Ų | 93.2 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 172.9 | -86.6 | -97.9 | 143.7 | 0 | 0 | 112.1 | A38 A40 G45 R46 | A38-E42 PolarHBondContact O-N 3.04Å; A40-E42 PolarHBondContact O-N 3.23Å; E42-G45 PolarHBondContact O-N 3.49Å; E42-R46 WeakPolarHBondContact O-CG 3.35Å; E42-R46 PolarHBondContact O-N 2.85Å |
| 43 | A | 75.3 | Confident | 68.5 | Low | 57 Ų | 57 | 97.6 Ų | 97.6 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -42.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A39 A40 G45 R46 L47 | A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.96Å; A40-A43 PolarHBondContact O-N 3.35Å; A43-G45 VanDerWaalsContact C-N 3.34Å; A43-R46 PolarHBondContact O-N 2.96Å; A43-L47 PolarHBondContact O-N 3.14Å |
| 44 | V | 78 | Confident | 69.1 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.8 | -38.7 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | A40 R46 L47 A48 | A40-V44 WeakPolarHBondContact O-CB 3.23Å; A40-V44 VanDerWaalsContact O-CG2 3.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.26Å; A40-V44 PolarHBondContact O-N 3.46Å; V44-R46 PolarHBondContact O-N 3.2Å; V44-L47 PolarHBondContact O-N 3.39Å; V44-A48 VanDerWaalsContact O-CB 3.24Å; V44-A48 WeakPolarHBondContact O-CB 3.32Å; V44-A48 PolarHBondContact O-N 2.92Å |
| 45 | G | 78.5 | Confident | 69.2 | Low | 34 Ų | 34 | 102.9 Ų | 102.9 | 35% | 0.351 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A41 E42 A43 A48 T49 | A41-G45 PolarHBondContact O-N 3.39Å; E42-G45 PolarHBondContact O-N 3.49Å; A43-G45 VanDerWaalsContact C-N 3.34Å; G45-A48 PolarHBondContact O-N 3.05Å; G45-T49 WeakPolarHBondContact O-CG2 3.44Å; G45-T49 PolarHBondContact O-N 3.3Å; G45-T49 PolarHBondContact O-OG1 2.91Å |
| 46 | R | 76.4 | Confident | 69.3 | Low | 183 Ų | 183 | 103.4 Ų | 103.4 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -39.1 | 174 | -71.7 | -178.9 | 172.7 | -144 | -1.8 | 112.3 | E42 A43 V44 T49 S50 | E42-R46 WeakPolarHBondContact O-CG 3.35Å; E42-R46 PolarHBondContact O-N 2.85Å; A43-R46 PolarHBondContact O-N 2.96Å; V44-R46 PolarHBondContact O-N 3.2Å; R46-T49 WeakPolarHBondContact CA-OG1 3.42Å; R46-T49 PolarHBondContact O-OG1 3.47Å; R46-S50 WeakPolarHBondContact O-CB 3.35Å; R46-S50 PolarHBondContact O-N 2.78Å; R46-S50 VanDerWaalsContact O-N 3.11Å; R46-S50 PolarHBondContact O-OG 2.75Å |
| 47 | L | 70.8 | Confident | 69.6 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 174.7 | -143.6 | 90.3 | 0 | 0 | 0 | 110.7 | A43 V44 T49 S50 L51 | A43-L47 PolarHBondContact O-N 3.14Å; V44-L47 PolarHBondContact O-N 3.39Å; L47-T49 PolarHBondContact O-N 3.4Å; L47-S50 PolarHBondContact O-N 3.37Å; L47-S50 PolarHBondContact O-OG 3.06Å; L47-L51 HydrophobicContact CD2-CD1 4.09Å; L47-L51 HydrophobicContact CG-CD1 4.27Å; L47-L51 WeakPolarHBondContact O-CB 3.15Å; L47-L51 WeakPolarHBondContact O-CD1 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.24Å |
| 48 | A | 72.4 | Confident | 68.9 | Low | 44 Ų | 44 | 99.7 Ų | 99.7 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 G45 L51 W52 | V44-A48 VanDerWaalsContact O-CB 3.24Å; V44-A48 WeakPolarHBondContact O-CB 3.32Å; V44-A48 PolarHBondContact O-N 2.92Å; G45-A48 PolarHBondContact O-N 3.05Å; A48-L51 PolarHBondContact O-N 2.96Å; A48-W52 VanDerWaalsContact O-CB 3.29Å; A48-W52 WeakPolarHBondContact O-CB 3.49Å; A48-W52 PolarHBondContact O-N 2.83Å |
| 49 | T | 75.9 | Confident | 68.2 | Low | 83 Ų | 83 | 100.9 Ų | 100.9 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 176.5 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | G45 R46 L47 L51 W52 L53 | G45-T49 WeakPolarHBondContact O-CG2 3.44Å; G45-T49 PolarHBondContact O-N 3.3Å; G45-T49 PolarHBondContact O-OG1 2.91Å; R46-T49 WeakPolarHBondContact CA-OG1 3.42Å; R46-T49 PolarHBondContact O-OG1 3.47Å; L47-T49 PolarHBondContact O-N 3.4Å; T49-L51 VanDerWaalsContact C-N 3.33Å; T49-W52 WeakPolarHBondContact O-CB 3.5Å; T49-W52 PolarHBondContact O-N 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.36Å; T49-L53 PolarHBondContact O-N 3.42Å |
| 50 | S | 69.9 | Low | 67.5 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 173.9 | 77.6 | 0 | 0 | 0 | 0 | 112 | R46 L47 R54 | R46-S50 WeakPolarHBondContact O-CB 3.35Å; R46-S50 PolarHBondContact O-N 2.78Å; R46-S50 VanDerWaalsContact O-N 3.11Å; R46-S50 PolarHBondContact O-OG 2.75Å; L47-S50 PolarHBondContact O-N 3.37Å; L47-S50 PolarHBondContact O-OG 3.06Å; S50-R54 PolarHBondContact O-N 2.88Å; S50-R54 VanDerWaalsContact O-N 3.13Å |
| 51 | L | 62.2 | Low | 66.7 | Low | 98 Ų | 98 | 103 Ų | 103 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 174 | -79.8 | 159.1 | 0 | 0 | 0 | 110.7 | L47 A48 T49 R54 L55 | L47-L51 HydrophobicContact CD2-CD1 4.09Å; L47-L51 HydrophobicContact CG-CD1 4.27Å; L47-L51 WeakPolarHBondContact O-CB 3.15Å; L47-L51 WeakPolarHBondContact O-CD1 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.24Å; A48-L51 PolarHBondContact O-N 2.96Å; T49-L51 VanDerWaalsContact C-N 3.33Å; L51-R54 WeakPolarHBondContact O-CB 3.2Å; L51-R54 PolarHBondContact O-N 2.75Å; L51-L55 VanDerWaalsContact O-CB 3.27Å; L51-L55 WeakPolarHBondContact O-CB 3.01Å; L51-L55 PolarHBondContact O-N 2.9Å |
| 52 | W | 68.9 | Low | 65.8 | Low | 156 Ų | 156 | 104.2 Ų | 104.2 | 59% | 0.591 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 177.3 | -110.5 | 96.7 | 0 | 0 | 0 | 113 | A48 T49 R54 L55 R56 | A48-W52 VanDerWaalsContact O-CB 3.29Å; A48-W52 WeakPolarHBondContact O-CB 3.49Å; A48-W52 PolarHBondContact O-N 2.83Å; T49-W52 WeakPolarHBondContact O-CB 3.5Å; T49-W52 PolarHBondContact O-N 3.28Å; W52-R54 VanDerWaalsContact C-N 3.3Å; W52-R54 PolarHBondContact O-N 3.45Å; W52-L55 PolarHBondContact O-N 2.64Å; W52-R56 WeakPolarHBondContact O-CB 3.42Å; W52-R56 PolarHBondContact O-N 3.07Å |
| 53 | L | 68.8 | Low | 64.9 | Low | 133 Ų | 133 | 100.5 Ų | 100.5 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -37.6 | 177 | -73.1 | 169.1 | 0 | 0 | 0 | 111.6 | T49 G57 | T49-L53 WeakPolarHBondContact O-CG 3.36Å; T49-L53 PolarHBondContact O-N 3.42Å; L53-G57 PolarHBondContact O-N 2.93Å |
| 54 | R | 63.3 | Low | 63.7 | Low | 192 Ų | 192 | 100.3 Ų | 100.3 | 73% | 0.725 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -48.7 | 172.7 | -131.5 | 178.2 | -150.1 | 172 | 6.5 | 110.4 | S50 L51 W52 R56 G57 W58 | S50-R54 PolarHBondContact O-N 2.88Å; S50-R54 VanDerWaalsContact O-N 3.13Å; L51-R54 WeakPolarHBondContact O-CB 3.2Å; L51-R54 PolarHBondContact O-N 2.75Å; W52-R54 VanDerWaalsContact C-N 3.3Å; W52-R54 PolarHBondContact O-N 3.45Å; R54-R56 PolarHBondContact O-N 3.03Å; R54-G57 WeakPolarHBondContact O-CA 3.08Å; R54-G57 PolarHBondContact O-N 3Å; R54-W58 PolarHBondContact O-N 3.13Å |
| 55 | L | 60.5 | Low | 62.4 | Low | 99 Ų | 99 | 97.7 Ų | 97.7 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -34.6 | -177.6 | -151.7 | 68.5 | 0 | 0 | 0 | 111.5 | L51 W52 G57 W58 E59 | L51-L55 VanDerWaalsContact O-CB 3.27Å; L51-L55 WeakPolarHBondContact O-CB 3.01Å; L51-L55 PolarHBondContact O-N 2.9Å; W52-L55 PolarHBondContact O-N 2.64Å; L55-G57 VanDerWaalsContact C-N 3.33Å; L55-G57 PolarHBondContact O-N 3.27Å; L55-W58 CarbonylContact O-C 3.33Å; L55-W58 WeakPolarHBondContact O-CA 3.16Å; L55-W58 WeakPolarHBondContact O-CB 3.18Å; L55-W58 PolarHBondContact O-N 3.46Å; L55-E59 PolarHBondContact O-N 3.38Å |
| 56 | R | 60.4 | Low | 60.9 | Low | 160 Ų | 160 | 102.6 Ų | 102.6 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -31.5 | 173.2 | 178.6 | 151.1 | -96.2 | -175.2 | -14.4 | 113.8 | W52 R54 W58 E59 | W52-R56 WeakPolarHBondContact O-CB 3.42Å; W52-R56 PolarHBondContact O-N 3.07Å; R54-R56 PolarHBondContact O-N 3.03Å; R56-W58 VanDerWaalsContact C-N 3.27Å; R56-E59 WeakPolarHBondContact CA-OE2 3.32Å; R56-E59 WeakPolarHBondContact CG-OE2 3.21Å; R56-E59 IonicContact CZ-OE2 3.99Å; R56-E59 IonicContact NE-OE2 3.11Å; R56-E59 PolarHBondContact NE-OE2 2.85Å; R56-E59 VanDerWaalsContact NE-OE2 3.11Å |
| 57 | G | 64.5 | Low | 59.7 | Low | 56 Ų | 56 | 103.7 Ų | 103.7 | 58% | 0.577 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.2 | -27.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L53 R54 L55 | L53-G57 PolarHBondContact O-N 2.93Å; R54-G57 WeakPolarHBondContact O-CA 3.08Å; R54-G57 PolarHBondContact O-N 3Å; L55-G57 VanDerWaalsContact C-N 3.33Å; L55-G57 PolarHBondContact O-N 3.27Å |
| 58 | W | 43.9 | Very low | 58.4 | Low | 157 Ų | 157 | 102.7 Ų | 102.7 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -91.1 | -12.9 | 177.9 | -72.2 | 70.4 | 0 | 0 | 0 | 113.4 | R54 L55 R56 A60 V61 L62 | R54-W58 PolarHBondContact O-N 3.13Å; L55-W58 CarbonylContact O-C 3.33Å; L55-W58 WeakPolarHBondContact O-CA 3.16Å; L55-W58 WeakPolarHBondContact O-CB 3.18Å; L55-W58 PolarHBondContact O-N 3.46Å; R56-W58 VanDerWaalsContact C-N 3.27Å; W58-A60 VanDerWaalsContact C-N 3.27Å; W58-A60 PolarHBondContact O-N 3.25Å; W58-V61 CarbonylContact O-C 3.59Å; W58-V61 WeakPolarHBondContact O-CB 3.47Å; W58-V61 PolarHBondContact O-N 3.45Å; W58-L62 WeakPolarHBondContact O-CB 3.25Å; W58-L62 WeakPolarHBondContact O-CG 3.38Å; W58-L62 PolarHBondContact O-N 3.38Å |
| 59 | E | 52.4 | Low | 57.4 | Low | 84 Ų | 84 | 106.5 Ų | 106.5 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.7 | -37.8 | 177.5 | -83.7 | -175.7 | 120.9 | 0 | 0 | 111.8 | L55 R56 L62 A63 | L55-E59 PolarHBondContact O-N 3.38Å; R56-E59 WeakPolarHBondContact CA-OE2 3.32Å; R56-E59 WeakPolarHBondContact CG-OE2 3.21Å; R56-E59 IonicContact CZ-OE2 3.99Å; R56-E59 IonicContact NE-OE2 3.11Å; R56-E59 PolarHBondContact NE-OE2 2.85Å; R56-E59 VanDerWaalsContact NE-OE2 3.11Å; E59-L62 PolarHBondContact O-N 3.11Å; E59-A63 WeakPolarHBondContact O-CB 3.44Å; E59-A63 PolarHBondContact O-N 2.95Å |
| 60 | A | 55.2 | Low | 56.2 | Low | 72 Ų | 72 | 107.5 Ų | 107.5 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68 | -36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W58 A64 | W58-A60 VanDerWaalsContact C-N 3.27Å; W58-A60 PolarHBondContact O-N 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.44Å; A60-A64 PolarHBondContact O-N 2.87Å |
| 61 | V | 51.4 | Low | 55.1 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.2 | -40.4 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | W58 A64 A65 | W58-V61 CarbonylContact O-C 3.59Å; W58-V61 WeakPolarHBondContact O-CB 3.47Å; W58-V61 PolarHBondContact O-N 3.45Å; V61-A64 PolarHBondContact O-N 2.8Å; V61-A65 WeakPolarHBondContact O-CB 3.44Å; V61-A65 PolarHBondContact O-N 2.76Å |
| 62 | L | 56 | Low | 54.4 | Low | 91 Ų | 91 | 119.3 Ų | 119.3 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.6 | -38.7 | 175.1 | -71.6 | 172.2 | 0 | 0 | 0 | 111.5 | W58 E59 A65 Q66 | W58-L62 WeakPolarHBondContact O-CB 3.25Å; W58-L62 WeakPolarHBondContact O-CG 3.38Å; W58-L62 PolarHBondContact O-N 3.38Å; E59-L62 PolarHBondContact O-N 3.11Å; L62-A65 PolarHBondContact O-N 3.47Å; L62-Q66 WeakPolarHBondContact O-CB 3.37Å; L62-Q66 PolarHBondContact O-N 2.99Å |
| 63 | A | 57.8 | Low | 53.4 | Low | 54 Ų | 54 | 116.5 Ų | 116.5 | 45% | 0.446 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.5 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E59 R67 | E59-A63 WeakPolarHBondContact O-CB 3.44Å; E59-A63 PolarHBondContact O-N 2.95Å; A63-R67 WeakPolarHBondContact O-CB 3.11Å; A63-R67 PolarHBondContact O-N 3.28Å |
| 64 | A | 51.3 | Low | 52.3 | Low | 53 Ų | 53 | 115.3 Ų | 115.3 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A60 V61 R67 L68 | A60-A64 WeakPolarHBondContact O-CB 3.44Å; A60-A64 PolarHBondContact O-N 2.87Å; V61-A64 PolarHBondContact O-N 2.8Å; A64-R67 PolarHBondContact O-N 3.27Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 PolarHBondContact O-N 2.73Å |
| 65 | A | 50.4 | Low | 51.6 | Low | 43 Ų | 43 | 112 Ų | 112 | 36% | 0.355 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.1 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V61 L62 L68 L69 | V61-A65 WeakPolarHBondContact O-CB 3.44Å; V61-A65 PolarHBondContact O-N 2.76Å; L62-A65 PolarHBondContact O-N 3.47Å; A65-L68 CarbonylContact O-C 3.55Å; A65-L68 WeakPolarHBondContact O-CB 3.44Å; A65-L68 PolarHBondContact O-N 3.39Å; A65-L69 WeakPolarHBondContact O-CB 3.47Å; A65-L69 PolarHBondContact O-N 2.8Å |
| 66 | Q | 45.6 | Very low | 51.1 | Low | 137 Ų | 137 | 110.7 Ų | 110.7 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.2 | -39.7 | 177.5 | -171.3 | 168.7 | -12.3 | 0 | 0 | 110.6 | L62 L69 V70 | L62-Q66 WeakPolarHBondContact O-CB 3.37Å; L62-Q66 PolarHBondContact O-N 2.99Å; Q66-L69 PolarHBondContact O-N 3.08Å; Q66-V70 VanDerWaalsContact O-CB 3.25Å; Q66-V70 WeakPolarHBondContact O-CB 3.35Å; Q66-V70 PolarHBondContact O-N 2.74Å |
| 67 | R | 51.4 | Low | 50.6 | Low | 207 Ų | 207 | 105.7 Ų | 105.7 | 78% | 0.781 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.5 | -28.7 | 174.4 | -152.4 | 155.7 | 171.5 | 125 | -7.5 | 112.4 | A63 A64 | A63-R67 WeakPolarHBondContact O-CB 3.11Å; A63-R67 PolarHBondContact O-N 3.28Å; A64-R67 PolarHBondContact O-N 3.27Å |
| 68 | L | 43.7 | Very low | 50.3 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71 | -39.1 | 168.6 | -114.8 | 70.2 | 0 | 0 | 0 | 112.6 | A64 A65 V70 H76 | A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 PolarHBondContact O-N 2.73Å; A65-L68 CarbonylContact O-C 3.55Å; A65-L68 WeakPolarHBondContact O-CB 3.44Å; A65-L68 PolarHBondContact O-N 3.39Å; L68-V70 VanDerWaalsContact C-N 3.33Å; L68-H76 HydrophobicContact CD2-CB 4.13Å |
| 69 | L | 51.5 | Low | 51.1 | Low | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.5 | -26.8 | 179.2 | -123.5 | 69.8 | 0 | 0 | 0 | 112 | A65 Q66 | A65-L69 WeakPolarHBondContact O-CB 3.47Å; A65-L69 PolarHBondContact O-N 2.8Å; Q66-L69 PolarHBondContact O-N 3.08Å |
| 70 | V | 51.1 | Low | 51.5 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 6.2 | -166.3 | 102.8 | 0 | 0 | 0 | 0 | 116.9 | Q66 L68 | Q66-V70 VanDerWaalsContact O-CB 3.25Å; Q66-V70 WeakPolarHBondContact O-CB 3.35Å; Q66-V70 PolarHBondContact O-N 2.74Å; L68-V70 VanDerWaalsContact C-N 3.33Å |
| 71 | W | 46.2 | Very low | 51.7 | Low | 240 Ų | 240 | 102.7 Ų | 102.7 | 91% | 0.909 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.6 | 62.8 | 161 | -73 | 30.4 | 0 | 0 | 0 | 117.3 | ||
| 72 | E | 48.2 | Very low | 52.2 | Low | 172 Ų | 172 | 101.5 Ų | 101.5 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | -17.3 | 156.8 | -79.6 | -158.5 | 149.8 | 0 | 0 | 115.6 | ||
| 73 | K | 47.4 | Very low | 53 | Low | 96 Ų | 96 | 99 Ų | 99 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | trans | -146.1 | 88.3 | 176 | -68.8 | -172.2 | 179.1 | 79.1 | 0 | 112.4 | L75 H76 | K73-L75 PolarHBondContact O-N 2.99Å; K73-H76 PolarHBondContact O-N 3.32Å; K73-H76 VanDerWaalsContact O-N 3.07Å | ||
| 74 | P | 45.8 | Very low | 53.5 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -19.9 | -178.3 | 25.1 | -34.9 | 0 | 0 | 0 | 113.6 | L78 | P74-L78 WeakPolarHBondContact O-CB 3.4Å; P74-L78 PolarHBondContact O-N 3.43Å |
| 75 | L | 49.8 | Very low | 54.1 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 64% | 0.644 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | 177.1 | -60.7 | 176 | 0 | 0 | 0 | 112.5 | K73 V79 | K73-L75 PolarHBondContact O-N 2.99Å; L75-V79 VanDerWaalsContact O-CB 3.25Å; L75-V79 WeakPolarHBondContact O-CB 3.44Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 2.85Å |
| 76 | H | 48.7 | Very low | 54.9 | Low | 72 Ų | 72 | 102.5 Ų | 102.5 | 33% | 0.333 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.7 | -39.1 | 178.5 | -71 | -66.2 | 0 | 0 | 0 | 112.1 | L68 K73 L78 V79 T80 | L68-H76 HydrophobicContact CD2-CB 4.13Å; K73-H76 PolarHBondContact O-N 3.32Å; K73-H76 VanDerWaalsContact O-N 3.07Å; H76-L78 VanDerWaalsContact C-N 3.33Å; H76-V79 PolarHBondContact O-N 2.78Å; H76-T80 WeakPolarHBondContact O-CB 3.25Å; H76-T80 PolarHBondContact O-N 2.74Å; H76-T80 PolarHBondContact O-OG1 2.79Å |
| 77 | S | 50.2 | Low | 55.8 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 38% | 0.378 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 173.4 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | A81 | S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.46Å |
| 78 | L | 57.4 | Low | 56.4 | Low | 119 Ų | 119 | 95.4 Ų | 95.4 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 174.9 | -168.9 | 87.4 | 0 | 0 | 0 | 111.2 | P74 H76 A81 A82 | P74-L78 WeakPolarHBondContact O-CB 3.4Å; P74-L78 PolarHBondContact O-N 3.43Å; H76-L78 VanDerWaalsContact C-N 3.33Å; L78-A81 PolarHBondContact O-N 2.73Å; L78-A82 WeakPolarHBondContact O-CA 3.09Å; L78-A82 WeakPolarHBondContact O-CB 2.96Å; L78-A82 PolarHBondContact O-N 2.91Å |
| 79 | V | 61.2 | Low | 57.2 | Low | 58 Ų | 58 | 96.2 Ų | 96.2 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -43 | 179.4 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L75 H76 A82 T83 L111 | L75-V79 VanDerWaalsContact O-CB 3.25Å; L75-V79 WeakPolarHBondContact O-CB 3.44Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 2.85Å; H76-V79 PolarHBondContact O-N 2.78Å; V79-A82 PolarHBondContact O-N 3.29Å; V79-T83 WeakPolarHBondContact O-CB 2.89Å; V79-T83 PolarHBondContact O-N 2.8Å; V79-T83 PolarHBondContact O-OG1 3.46Å; V79-L111 HydrophobicContact CG1-CD1 3.9Å |
| 80 | T | 61 | Low | 57.5 | Low | 75 Ų | 75 | 94 Ų | 94 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 176.2 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | H76 T83 L84 | H76-T80 WeakPolarHBondContact O-CB 3.25Å; H76-T80 PolarHBondContact O-N 2.74Å; H76-T80 PolarHBondContact O-OG1 2.79Å; T80-T83 PolarHBondContact O-N 2.74Å; T80-L84 HydrophobicContact CG2-CD1 4.25Å; T80-L84 WeakPolarHBondContact O-CB 3.35Å; T80-L84 WeakPolarHBondContact O-CG 3.37Å; T80-L84 PolarHBondContact O-N 3.36Å |
| 81 | A | 59.4 | Low | 57.7 | Low | 54 Ų | 54 | 94 Ų | 94 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S77 L78 T83 L84 N85 | S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.46Å; L78-A81 PolarHBondContact O-N 2.73Å; A81-T83 VanDerWaalsContact C-N 3.33Å; A81-L84 PolarHBondContact O-N 3.11Å; A81-N85 WeakPolarHBondContact O-CB 3.47Å; A81-N85 PolarHBondContact O-N 2.95Å |
| 82 | A | 62.2 | Low | 58.4 | Low | 58 Ų | 58 | 85.9 Ų | 85.9 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -32.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L78 V79 G86 | L78-A82 WeakPolarHBondContact O-CA 3.09Å; L78-A82 WeakPolarHBondContact O-CB 2.96Å; L78-A82 PolarHBondContact O-N 2.91Å; V79-A82 PolarHBondContact O-N 3.29Å; A82-G86 WeakPolarHBondContact O-CA 3.43Å; A82-G86 PolarHBondContact O-N 3.05Å |
| 83 | T | 71.8 | Confident | 58.8 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 24% | 0.239 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.7 | -48.3 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | V79 T80 A81 L87 L107 | V79-T83 WeakPolarHBondContact O-CB 2.89Å; V79-T83 PolarHBondContact O-N 2.8Å; V79-T83 PolarHBondContact O-OG1 3.46Å; T80-T83 PolarHBondContact O-N 2.74Å; A81-T83 VanDerWaalsContact C-N 3.33Å; T83-L87 WeakPolarHBondContact O-CA 3.13Å; T83-L87 WeakPolarHBondContact O-CB 3.07Å; T83-L87 PolarHBondContact O-N 3.48Å; T83-L107 HydrophobicContact CG2-CD2 3.79Å |
| 84 | L | 68.7 | Low | 59.2 | Low | 107 Ų | 107 | 79.6 Ų | 79.6 | 56% | 0.56 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 178.3 | -70.1 | 174.4 | 0 | 0 | 0 | 112.1 | T80 A81 F88 | T80-L84 HydrophobicContact CG2-CD1 4.25Å; T80-L84 WeakPolarHBondContact O-CB 3.35Å; T80-L84 WeakPolarHBondContact O-CG 3.37Å; T80-L84 PolarHBondContact O-N 3.36Å; A81-L84 PolarHBondContact O-N 3.11Å; L84-F88 VanDerWaalsContact O-CB 3.32Å; L84-F88 WeakPolarHBondContact O-CB 3.32Å; L84-F88 PolarHBondContact O-N 3.27Å |
| 85 | N | 64.9 | Low | 59.5 | Low | 92 Ų | 92 | 80.1 Ų | 80.1 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -50.2 | 176 | -172.3 | 47.2 | 0 | 0 | 0 | 110.4 | A81 L87 F88 W89 | A81-N85 WeakPolarHBondContact O-CB 3.47Å; A81-N85 PolarHBondContact O-N 2.95Å; N85-L87 VanDerWaalsContact C-N 3.29Å; N85-L87 PolarHBondContact O-N 2.96Å; N85-F88 PolarHBondContact O-N 3.45Å; N85-W89 PolarHBondContact O-N 2.86Å; N85-W89 VanDerWaalsContact OD1-CD1 3.31Å; N85-W89 PolarHBondContact OD1-NE1 2.96Å |
| 86 | G | 66.3 | Low | 59.7 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 26% | 0.258 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A82 W89 L90 | A82-G86 WeakPolarHBondContact O-CA 3.43Å; A82-G86 PolarHBondContact O-N 3.05Å; G86-W89 PolarHBondContact O-N 3.47Å; G86-L90 WeakPolarHBondContact O-CB 3.07Å; G86-L90 WeakPolarHBondContact O-CD1 3.05Å; G86-L90 WeakPolarHBondContact O-CG 3.13Å; G86-L90 PolarHBondContact O-N 2.73Å |
| 87 | L | 64.8 | Low | 60.1 | Low | 53 Ų | 53 | 87.5 Ų | 87.5 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -54.4 | 173.5 | -179.5 | 65.1 | 0 | 0 | 0 | 110.4 | T83 N85 W89 L90 L91 F100 I104 | T83-L87 WeakPolarHBondContact O-CA 3.13Å; T83-L87 WeakPolarHBondContact O-CB 3.07Å; T83-L87 PolarHBondContact O-N 3.48Å; N85-L87 VanDerWaalsContact C-N 3.29Å; N85-L87 PolarHBondContact O-N 2.96Å; L87-W89 VanDerWaalsContact C-N 3.33Å; L87-W89 PolarHBondContact O-N 3.27Å; L87-L90 CarbonylContact O-C 3.58Å; L87-L90 PolarHBondContact O-N 2.81Å; L87-L90 VanDerWaalsContact O-N 3.11Å; L87-L91 HydrophobicContact CB-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CD1 3.48Å; L87-L91 VanDerWaalsContact CD1-CD1 3.48Å; L87-L91 HydrophobicContact CG-CD1 3.5Å; L87-L91 WeakPolarHBondContact O-CD1 3.4Å; L87-L91 PolarHBondContact O-N 2.75Å; L87-F100 HydrophobicContact CD1-CE2 4.06Å; L87-F100 HydrophobicContact CD1-CZ 3.58Å; L87-I104 HydrophobicContact CD1-CD1 3.14Å; L87-I104 HydrophobicContact CD1-CG1 3.73Å |
| 88 | F | 63.8 | Low | 60.3 | Low | 142 Ų | 142 | 88.9 Ų | 88.9 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -54.5 | -47.4 | 178.2 | 176.5 | -100.2 | 0 | 0 | 0 | 112.6 | L84 N85 L91 S92 | L84-F88 VanDerWaalsContact O-CB 3.32Å; L84-F88 WeakPolarHBondContact O-CB 3.32Å; L84-F88 PolarHBondContact O-N 3.27Å; N85-F88 PolarHBondContact O-N 3.45Å; F88-L91 PolarHBondContact O-N 2.77Å; F88-S92 PolarHBondContact O-N 2.9Å; F88-S92 VanDerWaalsContact O-N 3.08Å |
| 89 | W | 60.4 | Low | 60.3 | Low | 107 Ų | 107 | 90.5 Ų | 90.5 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 176.1 | -83.5 | 94 | 0 | 0 | 0 | 112.7 | N85 G86 L87 S92 S93 W166 | N85-W89 PolarHBondContact O-N 2.86Å; N85-W89 VanDerWaalsContact OD1-CD1 3.31Å; N85-W89 PolarHBondContact OD1-NE1 2.96Å; G86-W89 PolarHBondContact O-N 3.47Å; L87-W89 VanDerWaalsContact C-N 3.33Å; L87-W89 PolarHBondContact O-N 3.27Å; W89-S92 PolarHBondContact O-N 3.33Å; W89-S93 VanDerWaalsContact O-CB 3.28Å; W89-S93 WeakPolarHBondContact O-CB 3.44Å; W89-S93 PolarHBondContact O-N 3.08Å; W89-W166 HydrophobicContact CH2-CE3 4.1Å; W89-W166 HydrophobicContact CH2-CZ3 4.43Å; W89-W166 AromaticContact CZ3-CE3 3.98Å; W89-W166 HydrophobicContact CZ3-CE3 3.98Å; W89-W166 AromaticContact CZ3-CZ3 3.88Å; W89-W166 HydrophobicContact CZ3-CZ3 3.88Å |
| 90 | L | 58.9 | Low | 60.3 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 40% | 0.398 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 178.3 | -74.7 | 167.2 | 0 | 0 | 0 | 111.9 | G86 L87 S92 S93 S94 F100 | G86-L90 WeakPolarHBondContact O-CB 3.07Å; G86-L90 WeakPolarHBondContact O-CD1 3.05Å; G86-L90 WeakPolarHBondContact O-CG 3.13Å; G86-L90 PolarHBondContact O-N 2.73Å; L87-L90 CarbonylContact O-C 3.58Å; L87-L90 PolarHBondContact O-N 2.81Å; L87-L90 VanDerWaalsContact O-N 3.11Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S93 PolarHBondContact O-N 3.11Å; L90-S94 WeakPolarHBondContact O-CA 3.49Å; L90-S94 WeakPolarHBondContact O-CB 3.46Å; L90-S94 PolarHBondContact O-N 3.34Å; L90-F100 HydrophobicContact CB-CD2 3.81Å; L90-F100 HydrophobicContact CB-CE2 3.55Å |
| 91 | L | 55.1 | Low | 60.4 | Low | 103 Ų | 103 | 90.9 Ų | 90.9 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 171.3 | -89.6 | 98.3 | 0 | 0 | 0 | 110.5 | L87 F88 S93 F100 | L87-L91 HydrophobicContact CB-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CD1 3.48Å; L87-L91 VanDerWaalsContact CD1-CD1 3.48Å; L87-L91 HydrophobicContact CG-CD1 3.5Å; L87-L91 WeakPolarHBondContact O-CD1 3.4Å; L87-L91 PolarHBondContact O-N 2.75Å; F88-L91 PolarHBondContact O-N 2.77Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-F100 HydrophobicContact CB-CE2 4.48Å; L91-F100 HydrophobicContact CB-CZ 4.31Å; L91-F100 HydrophobicContact CD1-CE1 4.15Å; L91-F100 HydrophobicContact CD1-CE2 3.84Å; L91-F100 HydrophobicContact CD1-CZ 3.2Å; L91-F100 HydrophobicContact CG-CE1 4.04Å; L91-F100 HydrophobicContact CG-CE2 4.01Å; L91-F100 HydrophobicContact CG-CZ 3.39Å |
| 92 | S | 59.5 | Low | 60.8 | Low | 71 Ų | 71 | 93.5 Ų | 93.5 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -30.5 | 179.6 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | F88 W89 L90 | F88-S92 PolarHBondContact O-N 2.9Å; F88-S92 VanDerWaalsContact O-N 3.08Å; W89-S92 PolarHBondContact O-N 3.33Å; L90-S92 VanDerWaalsContact C-N 3.32Å |
| 93 | S | 57 | Low | 60.8 | Low | 101 Ų | 101 | 93.5 Ų | 93.5 | 71% | 0.706 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -92.2 | -26.6 | 179.9 | -171.3 | 0 | 0 | 0 | 0 | 113.2 | W89 L90 L91 S95 | W89-S93 VanDerWaalsContact O-CB 3.28Å; W89-S93 WeakPolarHBondContact O-CB 3.44Å; W89-S93 PolarHBondContact O-N 3.08Å; L90-S93 PolarHBondContact O-N 3.11Å; L91-S93 VanDerWaalsContact C-N 3.32Å; S93-S95 PolarHBondContact O-N 3.44Å |
| 94 | S | 56.4 | Low | 60.4 | Low | 34 Ų | 34 | 93.8 Ų | 93.8 | 24% | 0.238 | 50% | 0.499 | C | S | . | . | trans | -98 | 71.6 | -170.4 | -155.1 | 0 | 0 | 0 | 0 | 112.9 | L90 L96 F100 | L90-S94 WeakPolarHBondContact O-CA 3.49Å; L90-S94 WeakPolarHBondContact O-CB 3.46Å; L90-S94 PolarHBondContact O-N 3.34Å; S94-L96 PolarHBondContact O-N 3.25Å; S94-L96 VanDerWaalsContact O-N 3.08Å; S94-F100 WeakPolarHBondContact OG-CB 3.49Å | ||
| 95 | S | 51 | Low | 60.4 | Low | 120 Ų | 120 | 92.2 Ų | 92.2 | 84% | 0.839 | 50% | 0.497 | S | S | * | . | trans | -72.8 | 19.4 | 164.6 | -151.4 | 0 | 0 | 0 | 0 | 113.1 | S93 | S93-S95 PolarHBondContact O-N 3.44Š| ||
| 96 | L | 54.4 | Low | 60.6 | Low | 130 Ų | 130 | 92 Ų | 92 | 68% | 0.681 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -128.7 | 88.5 | -179.8 | -86 | 141.9 | 0 | 0 | 0 | 110.4 | S94 P98 | S94-L96 PolarHBondContact O-N 3.25Å; S94-L96 VanDerWaalsContact O-N 3.08Å; L96-P98 WeakPolarHBondContact O-CD 3.43Å |
| 97 | R | 57.5 | Low | 60.5 | Low | 219 Ų | 219 | 94.3 Ų | 94.3 | 83% | 0.826 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.9 | -32.3 | -159 | -69 | 170.1 | -175.2 | 174.8 | 0.5 | 119.8 | L101 | R97-L101 WeakPolarHBondContact O-CG 3.29Å |
| 98 | P | 54.3 | Low | 60.8 | Low | 84 Ų | 84 | 95.1 Ų | 95.1 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -83.4 | -34.1 | -173.9 | 28.1 | -32 | 0 | 0 | 0 | 114.6 | L96 L102 | L96-P98 WeakPolarHBondContact O-CD 3.43Å; P98-L102 PolarHBondContact O-N 2.88Å; P98-L102 VanDerWaalsContact O-N 3.14Å |
| 99 | F | 58.3 | Low | 60.8 | Low | 152 Ų | 152 | 95.8 Ų | 95.8 | 67% | 0.667 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.3 | -32 | -174.8 | -72.5 | -80 | 0 | 0 | 0 | 113 | L102 S103 | F99-L102 WeakPolarHBondContact O-CB 3.27Å; F99-L102 PolarHBondContact O-N 2.92Å; F99-S103 PolarHBondContact O-N 3.04Å |
| 100 | F | 61 | Low | 60.9 | Low | 33 Ų | 33 | 97 Ų | 97 | 15% | 0.145 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.5 | -47 | 175.4 | 174.4 | -101.1 | 0 | 0 | 0 | 112.4 | L87 L90 L91 S94 L102 S103 I104 | L87-F100 HydrophobicContact CD1-CE2 4.06Å; L87-F100 HydrophobicContact CD1-CZ 3.58Å; L90-F100 HydrophobicContact CB-CD2 3.81Å; L90-F100 HydrophobicContact CB-CE2 3.55Å; L91-F100 HydrophobicContact CB-CE2 4.48Å; L91-F100 HydrophobicContact CB-CZ 4.31Å; L91-F100 HydrophobicContact CD1-CE1 4.15Å; L91-F100 HydrophobicContact CD1-CE2 3.84Å; L91-F100 HydrophobicContact CD1-CZ 3.2Å; L91-F100 HydrophobicContact CG-CE1 4.04Å; L91-F100 HydrophobicContact CG-CE2 4.01Å; L91-F100 HydrophobicContact CG-CZ 3.39Å; S94-F100 WeakPolarHBondContact OG-CB 3.49Å; F100-L102 VanDerWaalsContact C-N 3.26Å; F100-L102 PolarHBondContact O-N 3.2Å; F100-S103 PolarHBondContact O-N 3.44Å; F100-I104 HydrophobicContact CD1-CD1 3.8Å; F100-I104 HydrophobicContact CD2-CD1 3.95Å; F100-I104 HydrophobicContact CE1-CD1 3.24Å; F100-I104 HydrophobicContact CE2-CD1 3.41Å; F100-I104 VanDerWaalsContact CE2-CD1 3.41Å; F100-I104 HydrophobicContact CE2-CG1 4.43Å; F100-I104 HydrophobicContact CG-CD1 4.1Å; F100-I104 HydrophobicContact CZ-CD1 3Å; F100-I104 HydrophobicContact CZ-CG1 4.34Å; F100-I104 PolarHBondContact O-N 2.95Å |
| 101 | L | 63.6 | Low | 61.1 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 175.1 | -67.8 | 175.8 | 0 | 0 | 0 | 110.9 | R97 S105 | R97-L101 WeakPolarHBondContact O-CG 3.29Å; L101-S105 WeakPolarHBondContact O-CB 3.35Å; L101-S105 PolarHBondContact O-N 3.44Å; L101-S105 PolarHBondContact O-OG 3.49Å |
| 102 | L | 67.6 | Low | 61.3 | Low | 109 Ų | 109 | 96.9 Ų | 96.9 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -51.3 | 175.5 | -154.5 | 97.2 | 0 | 0 | 0 | 111 | P98 F99 F100 I104 S105 L106 | P98-L102 PolarHBondContact O-N 2.88Å; P98-L102 VanDerWaalsContact O-N 3.14Å; F99-L102 WeakPolarHBondContact O-CB 3.27Å; F99-L102 PolarHBondContact O-N 2.92Å; F100-L102 VanDerWaalsContact C-N 3.26Å; F100-L102 PolarHBondContact O-N 3.2Å; L102-I104 PolarHBondContact O-N 3.37Å; L102-S105 PolarHBondContact O-N 3.32Å; L102-L106 HydrophobicContact CD2-CD1 4.08Å; L102-L106 HydrophobicContact CG-CD1 3.78Å; L102-L106 WeakPolarHBondContact O-CD1 3.35Å; L102-L106 PolarHBondContact O-N 3.31Å |
| 103 | S | 60.9 | Low | 61.1 | Low | 59 Ų | 59 | 98.1 Ų | 98.1 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | F99 F100 L106 L107 | F99-S103 PolarHBondContact O-N 3.04Å; F100-S103 PolarHBondContact O-N 3.44Å; S103-L106 PolarHBondContact O-N 2.96Å; S103-L107 WeakPolarHBondContact O-CB 3.28Å; S103-L107 PolarHBondContact O-N 3.4Å |
| 104 | I | 64.3 | Low | 61 | Low | 44 Ų | 44 | 98.9 Ų | 98.9 | 23% | 0.226 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 178.7 | -69.8 | 157.4 | 0 | 0 | 0 | 111.9 | L87 F100 L102 L107 T108 | L87-I104 HydrophobicContact CD1-CD1 3.14Å; L87-I104 HydrophobicContact CD1-CG1 3.73Å; F100-I104 HydrophobicContact CD1-CD1 3.8Å; F100-I104 HydrophobicContact CD2-CD1 3.95Å; F100-I104 HydrophobicContact CE1-CD1 3.24Å; F100-I104 HydrophobicContact CE2-CD1 3.41Å; F100-I104 VanDerWaalsContact CE2-CD1 3.41Å; F100-I104 HydrophobicContact CE2-CG1 4.43Å; F100-I104 HydrophobicContact CG-CD1 4.1Å; F100-I104 HydrophobicContact CZ-CD1 3Å; F100-I104 HydrophobicContact CZ-CG1 4.34Å; F100-I104 PolarHBondContact O-N 2.95Å; L102-I104 PolarHBondContact O-N 3.37Å; I104-L107 PolarHBondContact O-N 2.79Å; I104-T108 WeakPolarHBondContact O-CB 3.47Å; I104-T108 PolarHBondContact O-N 3.43Å; I104-T108 PolarHBondContact O-OG1 3.38Å |
| 105 | S | 67.9 | Low | 60.6 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | L101 L102 L107 T108 Y109 | L101-S105 WeakPolarHBondContact O-CB 3.35Å; L101-S105 PolarHBondContact O-N 3.44Å; L101-S105 PolarHBondContact O-OG 3.49Å; L102-S105 PolarHBondContact O-N 3.32Å; S105-L107 PolarHBondContact O-N 3.43Å; S105-T108 PolarHBondContact O-N 3.27Å; S105-Y109 WeakPolarHBondContact O-CB 3.04Å; S105-Y109 PolarHBondContact O-N 2.96Å |
| 106 | L | 69.3 | Low | 60.3 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.9 | -86.6 | 92.6 | 0 | 0 | 0 | 111.4 | L102 S103 T108 Y109 F110 | L102-L106 HydrophobicContact CD2-CD1 4.08Å; L102-L106 HydrophobicContact CG-CD1 3.78Å; L102-L106 WeakPolarHBondContact O-CD1 3.35Å; L102-L106 PolarHBondContact O-N 3.31Å; S103-L106 PolarHBondContact O-N 2.96Å; L106-T108 PolarHBondContact O-N 3Å; L106-Y109 WeakPolarHBondContact O-CB 3.47Å; L106-Y109 PolarHBondContact O-N 2.88Å; L106-F110 WeakPolarHBondContact O-CD2 3.32Å; L106-F110 PolarHBondContact O-N 3.46Å |
| 107 | L | 64.3 | Low | 60.1 | Low | 74 Ų | 74 | 102.9 Ų | 102.9 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | -179.6 | -172.9 | 63.5 | 0 | 0 | 0 | 112.1 | T83 S103 I104 S105 Y109 F110 L111 | T83-L107 HydrophobicContact CG2-CD2 3.79Å; S103-L107 WeakPolarHBondContact O-CB 3.28Å; S103-L107 PolarHBondContact O-N 3.4Å; I104-L107 PolarHBondContact O-N 2.79Å; S105-L107 PolarHBondContact O-N 3.43Å; L107-Y109 VanDerWaalsContact C-N 3.32Å; L107-F110 PolarHBondContact O-N 2.97Å; L107-L111 PolarHBondContact O-N 3.33Å |
| 108 | T | 70.6 | Confident | 59.8 | Low | 70 Ų | 70 | 100.8 Ų | 100.8 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | I104 S105 L106 L111 L112 | I104-T108 WeakPolarHBondContact O-CB 3.47Å; I104-T108 PolarHBondContact O-N 3.43Å; I104-T108 PolarHBondContact O-OG1 3.38Å; S105-T108 PolarHBondContact O-N 3.27Å; L106-T108 PolarHBondContact O-N 3Å; T108-L111 WeakPolarHBondContact O-CB 3.36Å; T108-L111 PolarHBondContact O-N 3.5Å; T108-L112 HydrophobicContact CG2-CD1 3.94Å; T108-L112 VanDerWaalsContact O-CD1 3.23Å; T108-L112 WeakPolarHBondContact O-CD1 3.24Å; T108-L112 PolarHBondContact O-N 3.48Å |
| 109 | Y | 64.3 | Low | 59.4 | Low | 156 Ų | 156 | 102.8 Ų | 102.8 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 177.4 | -173.6 | -92 | 0 | 0 | 0 | 112.4 | S105 L106 L107 L111 L112 D113 | S105-Y109 WeakPolarHBondContact O-CB 3.04Å; S105-Y109 PolarHBondContact O-N 2.96Å; L106-Y109 WeakPolarHBondContact O-CB 3.47Å; L106-Y109 PolarHBondContact O-N 2.88Å; L107-Y109 VanDerWaalsContact C-N 3.32Å; Y109-L111 VanDerWaalsContact C-N 3.27Å; Y109-L111 PolarHBondContact O-N 3.42Å; Y109-L112 PolarHBondContact O-N 2.96Å; Y109-D113 WeakPolarHBondContact O-CB 3.44Å; Y109-D113 PolarHBondContact O-N 3.02Å |
| 110 | F | 63.3 | Low | 59 | Low | 131 Ų | 131 | 102.3 Ų | 102.3 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -36 | 174.9 | -81.2 | -67.1 | 0 | 0 | 0 | 112.7 | L106 L107 D113 L114 | L106-F110 WeakPolarHBondContact O-CD2 3.32Å; L106-F110 PolarHBondContact O-N 3.46Å; L107-F110 PolarHBondContact O-N 2.97Å; F110-D113 PolarHBondContact O-N 3.26Å; F110-L114 VanDerWaalsContact O-CB 3.26Å; F110-L114 WeakPolarHBondContact O-CB 3.06Å; F110-L114 PolarHBondContact O-N 3.31Å |
| 111 | L | 61.9 | Low | 58.3 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 37% | 0.366 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.1 | -127 | 66.8 | 0 | 0 | 0 | 111.8 | V79 L107 T108 Y109 W115 | V79-L111 HydrophobicContact CG1-CD1 3.9Å; L107-L111 PolarHBondContact O-N 3.33Å; T108-L111 WeakPolarHBondContact O-CB 3.36Å; T108-L111 PolarHBondContact O-N 3.5Å; Y109-L111 VanDerWaalsContact C-N 3.27Å; Y109-L111 PolarHBondContact O-N 3.42Å; L111-W115 WeakPolarHBondContact O-CB 3.44Å; L111-W115 PolarHBondContact O-N 3.04Å; L111-W115 VanDerWaalsContact O-N 3.14Å |
| 112 | L | 60.5 | Low | 57.4 | Low | 108 Ų | 108 | 106.1 Ų | 106.1 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 175.4 | -94.6 | 66.6 | 0 | 0 | 0 | 111.4 | T108 Y109 L114 W115 H116 | T108-L112 HydrophobicContact CG2-CD1 3.94Å; T108-L112 VanDerWaalsContact O-CD1 3.23Å; T108-L112 WeakPolarHBondContact O-CD1 3.24Å; T108-L112 PolarHBondContact O-N 3.48Å; Y109-L112 PolarHBondContact O-N 2.96Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 PolarHBondContact O-N 2.91Å; L112-W115 PolarHBondContact O-N 3.21Å; L112-W115 VanDerWaalsContact O-N 3.07Å; L112-H116 PolarHBondContact O-N 2.96Å |
| 113 | D | 55.6 | Low | 56.7 | Low | 96 Ų | 96 | 108.2 Ų | 108.2 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -36.7 | 178.3 | -164.2 | 51.8 | 0 | 0 | 0 | 111.5 | Y109 F110 W115 P117 | Y109-D113 WeakPolarHBondContact O-CB 3.44Å; Y109-D113 PolarHBondContact O-N 3.02Å; F110-D113 PolarHBondContact O-N 3.26Å; D113-W115 VanDerWaalsContact C-N 3.33Å; D113-P117 WeakPolarHBondContact O-CD 3.44Å |
| 114 | L | 53.9 | Low | 55.9 | Low | 118 Ų | 118 | 109.9 Ų | 109.9 | 62% | 0.618 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73 | -24.9 | 174.5 | -171.5 | 61.3 | 0 | 0 | 0 | 113.2 | F110 L112 | F110-L114 VanDerWaalsContact O-CB 3.26Å; F110-L114 WeakPolarHBondContact O-CB 3.06Å; F110-L114 PolarHBondContact O-N 3.31Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 PolarHBondContact O-N 2.91Å |
| 115 | W | 47.8 | Very low | 54.9 | Low | 152 Ų | 152 | 112.7 Ų | 112.7 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -87 | -33.8 | -178.8 | -159.7 | 69.6 | 0 | 0 | 0 | 112.1 | L111 L112 D113 R118 F119 | L111-W115 WeakPolarHBondContact O-CB 3.44Å; L111-W115 PolarHBondContact O-N 3.04Å; L111-W115 VanDerWaalsContact O-N 3.14Å; L112-W115 PolarHBondContact O-N 3.21Å; L112-W115 VanDerWaalsContact O-N 3.07Å; D113-W115 VanDerWaalsContact C-N 3.33Å; W115-R118 PolarHBondContact O-N 3.47Å; W115-F119 AromaticContact CD1-CE2 3.71Å; W115-F119 AromaticContact CD2-CD2 3.76Å; W115-F119 HydrophobicContact CD2-CD2 3.76Å; W115-F119 AromaticContact CD2-CE2 3.11Å; W115-F119 HydrophobicContact CD2-CE2 3.11Å; W115-F119 AromaticContact CD2-CZ 3.83Å; W115-F119 HydrophobicContact CD2-CZ 3.83Å; W115-F119 AromaticContact CE2-CD2 3.99Å; W115-F119 AromaticContact CE2-CE2 2.93Å; W115-F119 AromaticContact CE2-CZ 3.14Å; W115-F119 AromaticContact CE3-CD2 3.76Å; W115-F119 HydrophobicContact CE3-CD2 3.76Å; W115-F119 AromaticContact CE3-CE2 3.52Å; W115-F119 HydrophobicContact CE3-CE2 3.52Å; W115-F119 HydrophobicContact CE3-CZ 4.21Å; W115-F119 HydrophobicContact CG-CD2 4.31Å; W115-F119 AromaticContact CG-CE2 3.66Å; W115-F119 HydrophobicContact CG-CE2 3.66Å; W115-F119 HydrophobicContact CH2-CD2 4.19Å; W115-F119 AromaticContact CH2-CE1 3.84Å; W115-F119 HydrophobicContact CH2-CE1 3.84Å; W115-F119 AromaticContact CH2-CE2 3.59Å; W115-F119 HydrophobicContact CH2-CE2 3.59Å; W115-F119 AromaticContact CH2-CZ 3.38Å; W115-F119 HydrophobicContact CH2-CZ 3.38Å; W115-F119 HydrophobicContact CZ2-CD2 4.24Å; W115-F119 AromaticContact CZ2-CE1 3.78Å; W115-F119 HydrophobicContact CZ2-CE1 3.78Å; W115-F119 AromaticContact CZ2-CE2 3.24Å; W115-F119 HydrophobicContact CZ2-CE2 3.24Å; W115-F119 AromaticContact CZ2-CZ 2.92Å; W115-F119 HydrophobicContact CZ2-CZ 2.92Å; W115-F119 AromaticContact CZ3-CD2 3.96Å; W115-F119 HydrophobicContact CZ3-CD2 3.96Å; W115-F119 HydrophobicContact CZ3-CE1 4.49Å; W115-F119 AromaticContact CZ3-CE2 3.73Å; W115-F119 HydrophobicContact CZ3-CE2 3.73Å; W115-F119 HydrophobicContact CZ3-CZ 4Å; W115-F119 AromaticContact NE1-CE2 3.29Å; W115-F119 VanDerWaalsContact NE1-CE2 3.29Å; W115-F119 AromaticContact NE1-CZ 3.55Å; W115-F119 WeakPolarHBondContact O-CD2 3.17Å |
| 116 | H | 45.7 | Very low | 53.7 | Low | 132 Ų | 132 | 114.6 Ų | 114.6 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -53.7 | -42.6 | -178.8 | -163.4 | -88.1 | 0 | 0 | 0 | 115.5 | L112 R118 | L112-H116 PolarHBondContact O-N 2.96Å; H116-R118 PolarHBondContact O-N 2.87Å |
| 117 | P | 49.7 | Very low | 52.6 | Low | 83 Ų | 83 | 116.2 Ų | 116.2 | 54% | 0.539 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -75.6 | -4 | 179.6 | 28.6 | -34.3 | 0 | 0 | 0 | 114.1 | D113 | D113-P117 WeakPolarHBondContact O-CD 3.44Š|
| 118 | R | 50.1 | Low | 52.1 | Low | 176 Ų | 176 | 118.6 Ų | 118.6 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -102.5 | -5.6 | -177.8 | -69.1 | -71.2 | 172.3 | 95.4 | -3.3 | 114.7 | W115 H116 P121 | W115-R118 PolarHBondContact O-N 3.47Å; H116-R118 PolarHBondContact O-N 2.87Å; R118-P121 WeakPolarHBondContact O-CD 3.31Å |
| 119 | F | 46.6 | Very low | 50.4 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 55% | 0.553 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -93.9 | -9 | 172.4 | -76.1 | -88.1 | 0 | 0 | 0 | 114.1 | W115 | W115-F119 AromaticContact CD1-CE2 3.71Å; W115-F119 AromaticContact CD2-CD2 3.76Å; W115-F119 HydrophobicContact CD2-CD2 3.76Å; W115-F119 AromaticContact CD2-CE2 3.11Å; W115-F119 HydrophobicContact CD2-CE2 3.11Å; W115-F119 AromaticContact CD2-CZ 3.83Å; W115-F119 HydrophobicContact CD2-CZ 3.83Å; W115-F119 AromaticContact CE2-CD2 3.99Å; W115-F119 AromaticContact CE2-CE2 2.93Å; W115-F119 AromaticContact CE2-CZ 3.14Å; W115-F119 AromaticContact CE3-CD2 3.76Å; W115-F119 HydrophobicContact CE3-CD2 3.76Å; W115-F119 AromaticContact CE3-CE2 3.52Å; W115-F119 HydrophobicContact CE3-CE2 3.52Å; W115-F119 HydrophobicContact CE3-CZ 4.21Å; W115-F119 HydrophobicContact CG-CD2 4.31Å; W115-F119 AromaticContact CG-CE2 3.66Å; W115-F119 HydrophobicContact CG-CE2 3.66Å; W115-F119 HydrophobicContact CH2-CD2 4.19Å; W115-F119 AromaticContact CH2-CE1 3.84Å; W115-F119 HydrophobicContact CH2-CE1 3.84Å; W115-F119 AromaticContact CH2-CE2 3.59Å; W115-F119 HydrophobicContact CH2-CE2 3.59Å; W115-F119 AromaticContact CH2-CZ 3.38Å; W115-F119 HydrophobicContact CH2-CZ 3.38Å; W115-F119 HydrophobicContact CZ2-CD2 4.24Å; W115-F119 AromaticContact CZ2-CE1 3.78Å; W115-F119 HydrophobicContact CZ2-CE1 3.78Å; W115-F119 AromaticContact CZ2-CE2 3.24Å; W115-F119 HydrophobicContact CZ2-CE2 3.24Å; W115-F119 AromaticContact CZ2-CZ 2.92Å; W115-F119 HydrophobicContact CZ2-CZ 2.92Å; W115-F119 AromaticContact CZ3-CD2 3.96Å; W115-F119 HydrophobicContact CZ3-CD2 3.96Å; W115-F119 HydrophobicContact CZ3-CE1 4.49Å; W115-F119 AromaticContact CZ3-CE2 3.73Å; W115-F119 HydrophobicContact CZ3-CE2 3.73Å; W115-F119 HydrophobicContact CZ3-CZ 4Å; W115-F119 AromaticContact NE1-CE2 3.29Å; W115-F119 VanDerWaalsContact NE1-CE2 3.29Å; W115-F119 AromaticContact NE1-CZ 3.55Å; W115-F119 WeakPolarHBondContact O-CD2 3.17Å |
| 120 | L | 49.6 | Very low | 49.3 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -107.6 | 12.2 | -177.1 | -81.3 | 158.1 | 0 | 0 | 0 | 117.2 | ||
| 121 | P | 45.9 | Very low | 48.4 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 51% | 0.506 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -98.1 | 126.2 | 155.2 | 26.6 | -13.6 | 0 | 0 | 0 | 109.7 | R118 | R118-P121 WeakPolarHBondContact O-CD 3.31Š|
| 122 | D | 45.2 | Very low | 47.3 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | 94.3 | 41 | 173.6 | -65.5 | -51.2 | 0 | 0 | 0 | 119.5 | ||||
| 123 | V | 52.5 | Low | 46.1 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 93% | 0.927 | 71% | 0.71 | S | S | * | * | trans | -101.5 | 70.4 | 133.3 | 173.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 124 | S | 44.9 | Very low | 45.6 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | -147.2 | 92.1 | 161.1 | -129.5 | 0 | 0 | 0 | 0 | 107.3 | P126 | S124-P126 WeakPolarHBondContact O-CD 3.29Š| ||
| 125 | A | 43.4 | Very low | 44.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | trans | -63.8 | 138.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 126 | P | 42.8 | Very low | 44.4 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -124.2 | 158 | 130.8 | 30.6 | -19.1 | 0 | 0 | 0 | 112.4 | S124 | S124-P126 WeakPolarHBondContact O-CD 3.29Š| ||
| 127 | P | 45.5 | Very low | 44 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -83 | 178.3 | -161.4 | 39.1 | -38.7 | 0 | 0 | 0 | 113.3 | ||||
| 128 | P | 54.3 | Low | 43.3 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -88.9 | 142.1 | -156 | 35.7 | -31.2 | 0 | 0 | 0 | 113.7 | ||||
| 129 | E | 36 | Very low | 42.9 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -153.8 | 127.5 | 150.3 | -85.4 | -150.6 | 109.3 | 0 | 0 | 110.4 | ||||
| 130 | E | 40.5 | Very low | 42.4 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -71.1 | 153.4 | 163.5 | -55.3 | -176.4 | 92.6 | 0 | 0 | 109.1 | ||||
| 131 | P | 44 | Very low | 42.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -154 | 151.6 | 77.6 | 34.8 | -12.3 | 0 | 0 | 0 | 117.2 | |||||
| 132 | H | 37.8 | Very low | 42.1 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 30.1 | 116 | 135.9 | -162.5 | 73.5 | 0 | 0 | 0 | 120 | ||||
| 133 | S | 36.7 | Very low | 41.8 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | -176.6 | 124.2 | 129.3 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 134 | D | 44.5 | Very low | 41.2 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 135.9 | 173.7 | -40.9 | -53.4 | 0 | 0 | 0 | 111 | ||||
| 135 | R | 37.8 | Very low | 41 | Very low | 237 Ų | 237 | 142.6 Ų | 142.6 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -148.6 | 103.8 | 159.9 | -169.1 | 167.6 | -83 | -115.8 | 1.6 | 112 | ||||
| 136 | F | 39.8 | Very low | 40.5 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -46.9 | 134.2 | 162.5 | -62.5 | -94.4 | 0 | 0 | 0 | 112.2 | ||||
| 137 | T | 36 | Very low | 40.4 | Very low | 137 Ų | 137 | 145 Ų | 145 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | 166.7 | 123.6 | 120 | 34.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 138 | C | 35.7 | Very low | 40.3 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -150 | 112.8 | 135.3 | -152.5 | 0 | 0 | 0 | 0 | 110.9 | S140 | C138-S140 PolarHBondContact O-N 3.48Š| ||
| 139 | K | 41.2 | Very low | 39.4 | Very low | 218 Ų | 218 | 145 Ų | 145 | 95% | 0.948 | 76% | 0.761 | S | S | * | * | trans | -71.8 | 25.4 | -178.4 | -125.5 | 164.8 | 179.5 | 162.2 | 0 | 113.3 | ||||
| 140 | S | 36.5 | Very low | 39.6 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | trans | -117.3 | 37.1 | -164.4 | -156.5 | 0 | 0 | 0 | 0 | 113.5 | C138 | C138-S140 PolarHBondContact O-N 3.48Š| ||
| 141 | C | 44.8 | Very low | 39.7 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -96.4 | 1.5 | 179.3 | -151.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 142 | C | 43.7 | Very low | 39.7 | Very low | 131 Ų | 131 | 135 Ų | 135 | 89% | 0.885 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -119.5 | 0.2 | -174.4 | -80 | 0 | 0 | 0 | 0 | 117.4 | ||
| 143 | S | 39.5 | Very low | 39.8 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -104 | -4.5 | -176.1 | -157.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 144 | T | 40.2 | Very low | 40.2 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 56% | 0.564 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -90.9 | -13.2 | -171.4 | -44.5 | 0 | 0 | 0 | 0 | 114 | G146 I148 | T144-G146 PolarHBondContact O-N 2.87Å; T144-I148 WeakPolarHBondContact O-CD1 3.43Å; T144-I148 WeakPolarHBondContact O-CG1 3.49Å |
| 145 | R | 40.2 | Very low | 40.4 | Very low | 229 Ų | 229 | 128 Ų | 128 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -24.3 | -173.5 | -162 | 165.7 | -177.6 | 171.1 | -0.3 | 114.3 | ||
| 146 | G | 32.4 | Very low | 40.8 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -26.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T144 | T144-G146 PolarHBondContact O-N 2.87Š|
| 147 | R | 40.9 | Very low | 41.1 | Very low | 203 Ų | 203 | 113 Ų | 113 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -19.4 | -174.1 | -101.2 | -167.9 | -77.7 | -176.7 | -4.4 | 114.7 | ||
| 148 | I | 43.2 | Very low | 42 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 49% | 0.487 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -74.1 | -29.7 | -176.8 | -50.5 | 164.3 | 0 | 0 | 0 | 111 | T144 L150 S151 S152 | T144-I148 WeakPolarHBondContact O-CD1 3.43Å; T144-I148 WeakPolarHBondContact O-CG1 3.49Å; I148-L150 VanDerWaalsContact C-N 3.34Å; I148-L150 PolarHBondContact O-N 3.02Å; I148-S151 PolarHBondContact O-N 3.11Å; I148-S151 PolarHBondContact O-OG 2.93Å; I148-S152 PolarHBondContact O-N 3.11Å |
| 149 | Q | 37.1 | Very low | 42.9 | Very low | 151 Ų | 151 | 110 Ų | 110 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.9 | -30.3 | 179.1 | -83.1 | -70.2 | 83.4 | 0 | 0 | 113.3 | ||
| 150 | L | 39.8 | Very low | 43.7 | Very low | 147 Ų | 147 | 103.7 Ų | 103.7 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77.6 | -29.5 | 179.2 | -140.7 | 79.8 | 0 | 0 | 0 | 112.2 | I148 | I148-L150 VanDerWaalsContact C-N 3.34Å; I148-L150 PolarHBondContact O-N 3.02Å |
| 151 | S | 42.5 | Very low | 44.6 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -76.2 | -33.5 | 178 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | I148 L154 G155 | I148-S151 PolarHBondContact O-N 3.11Å; I148-S151 PolarHBondContact O-OG 2.93Å; S151-L154 PolarHBondContact O-N 3.36Å; S151-G155 PolarHBondContact O-N 3.26Å |
| 152 | S | 43.1 | Very low | 45.1 | Very low | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.7 | -33.9 | 177.6 | -79.3 | 0 | 0 | 0 | 0 | 112.9 | I148 A156 | I148-S152 PolarHBondContact O-N 3.11Å; S152-A156 PolarHBondContact O-N 3.32Å |
| 153 | A | 40.8 | Very low | 45.9 | Very low | 70 Ų | 70 | 104.3 Ų | 104.3 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.6 | -36.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 154 | L | 44.3 | Very low | 47.1 | Very low | 126 Ų | 126 | 104.7 Ų | 104.7 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.3 | -35.5 | 179.7 | -140.6 | 75.7 | 0 | 0 | 0 | 112.5 | S151 A156 L158 | S151-L154 PolarHBondContact O-N 3.36Å; L154-A156 PolarHBondContact O-N 3.36Å; L154-L158 WeakPolarHBondContact O-CD1 3.46Å; L154-L158 PolarHBondContact O-N 3.01Å |
| 155 | G | 48.3 | Very low | 47.8 | Very low | 47 Ų | 47 | 103.6 Ų | 103.6 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.4 | -26 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S151 P159 | S151-G155 PolarHBondContact O-N 3.26Å; G155-P159 WeakPolarHBondContact O-CD 3.38Å |
| 156 | A | 46.8 | Very low | 48.6 | Very low | 62 Ų | 62 | 97.7 Ų | 97.7 | 51% | 0.512 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -86 | -25.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | S152 L154 P159 V160 | S152-A156 PolarHBondContact O-N 3.32Å; L154-A156 PolarHBondContact O-N 3.36Å; A156-P159 WeakPolarHBondContact O-CD 3.38Å; A156-P159 WeakPolarHBondContact O-CG 3.23Å; A156-V160 WeakPolarHBondContact O-CG2 3.3Å |
| 157 | A | 46.8 | Very low | 49.6 | Very low | 43 Ų | 43 | 97.2 Ų | 97.2 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -78.9 | -33.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | V160 L161 | A157-V160 PolarHBondContact O-N 3.49Å; A157-L161 HydrophobicContact CB-CD1 4.49Å; A157-L161 WeakPolarHBondContact O-CB 3.41Å; A157-L161 WeakPolarHBondContact O-CG 3.33Å; A157-L161 PolarHBondContact O-N 3.08Å |
| 158 | L | 54.5 | Low | 50.2 | Low | 114 Ų | 114 | 91.7 Ų | 91.7 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59 | -48.9 | 178.8 | -77.3 | 161.4 | 0 | 0 | 0 | 114.4 | L154 V160 C162 | L154-L158 WeakPolarHBondContact O-CD1 3.46Å; L154-L158 PolarHBondContact O-N 3.01Å; L158-V160 VanDerWaalsContact C-N 3.28Å; L158-V160 PolarHBondContact O-N 2.78Å; L158-C162 WeakPolarHBondContact O-CB 3.43Å; L158-C162 PolarHBondContact O-N 2.83Å |
| 159 | P | 54.9 | Low | 50.8 | Low | 77 Ų | 77 | 93.3 Ų | 93.3 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.7 | -30.5 | 177.9 | 26.2 | -34.4 | 0 | 0 | 0 | 112 | G155 A156 W163 | G155-P159 WeakPolarHBondContact O-CD 3.38Å; A156-P159 WeakPolarHBondContact O-CD 3.38Å; A156-P159 WeakPolarHBondContact O-CG 3.23Å; P159-W163 VanDerWaalsContact O-CB 3.31Å; P159-W163 WeakPolarHBondContact O-CB 3.43Å; P159-W163 PolarHBondContact O-N 3.02Å |
| 160 | V | 57.4 | Low | 51.2 | Low | 87 Ų | 87 | 92.5 Ų | 92.5 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.8 | -46.6 | 179.2 | 178 | 0 | 0 | 0 | 0 | 111.1 | A156 A157 L158 C162 W163 L164 | A156-V160 WeakPolarHBondContact O-CG2 3.3Å; A157-V160 PolarHBondContact O-N 3.49Å; L158-V160 VanDerWaalsContact C-N 3.28Å; L158-V160 PolarHBondContact O-N 2.78Å; V160-C162 VanDerWaalsContact C-N 3.25Å; V160-C162 PolarHBondContact O-N 3.3Å; V160-W163 PolarHBondContact O-N 3.15Å; V160-L164 HydrophobicContact CG1-CD1 3.86Å; V160-L164 WeakPolarHBondContact O-CB 3.5Å; V160-L164 WeakPolarHBondContact O-CD1 3.36Å; V160-L164 PolarHBondContact O-N 2.95Å |
| 161 | L | 56.3 | Low | 51.6 | Low | 117 Ų | 117 | 94.1 Ų | 94.1 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -35.1 | 173.2 | -78.5 | 158.3 | 0 | 0 | 0 | 111.8 | A157 C165 | A157-L161 HydrophobicContact CB-CD1 4.49Å; A157-L161 WeakPolarHBondContact O-CB 3.41Å; A157-L161 WeakPolarHBondContact O-CG 3.33Å; A157-L161 PolarHBondContact O-N 3.08Å; L161-C165 VanDerWaalsContact O-CB 3.29Å; L161-C165 WeakPolarHBondContact O-CB 3.34Å; L161-C165 PolarHBondContact O-N 3.31Å |
| 162 | C | 54.3 | Low | 51.6 | Low | 54 Ų | 54 | 99.1 Ų | 99.1 | 37% | 0.365 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.6 | -35.7 | 177.6 | -160.6 | 0 | 0 | 0 | 0 | 112.2 | L158 V160 C165 W166 | L158-C162 WeakPolarHBondContact O-CB 3.43Å; L158-C162 PolarHBondContact O-N 2.83Å; V160-C162 VanDerWaalsContact C-N 3.25Å; V160-C162 PolarHBondContact O-N 3.3Å; C162-C165 PolarHBondContact O-N 3.5Å; C162-W166 WeakPolarHBondContact O-CB 3.1Å; C162-W166 PolarHBondContact O-N 3.26Å |
| 163 | W | 61.2 | Low | 51.7 | Low | 180 Ų | 180 | 104.9 Ų | 104.9 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.1 | -41.7 | 172.9 | -157.2 | 88.3 | 0 | 0 | 0 | 112 | P159 V160 W166 D167 | P159-W163 VanDerWaalsContact O-CB 3.31Å; P159-W163 WeakPolarHBondContact O-CB 3.43Å; P159-W163 PolarHBondContact O-N 3.02Å; V160-W163 PolarHBondContact O-N 3.15Å; W163-W166 PolarHBondContact O-N 3.42Å; W163-D167 HydrophobicContact CZ3-CB 4.48Å; W163-D167 WeakPolarHBondContact O-CB 3.49Å; W163-D167 PolarHBondContact O-N 3.42Å |
| 164 | L | 63.5 | Low | 52.3 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -41.1 | 173.3 | -81.2 | 147.3 | 0 | 0 | 0 | 111.8 | V160 D167 T168 | V160-L164 HydrophobicContact CG1-CD1 3.86Å; V160-L164 WeakPolarHBondContact O-CB 3.5Å; V160-L164 WeakPolarHBondContact O-CD1 3.36Å; V160-L164 PolarHBondContact O-N 2.95Å; L164-D167 PolarHBondContact O-N 2.96Å; L164-T168 VanDerWaalsContact O-CG2 3.3Å; L164-T168 WeakPolarHBondContact O-CG2 3.35Å; L164-T168 PolarHBondContact O-N 2.85Å; L164-T168 PolarHBondContact O-OG1 2.85Å; L164-T168 VanDerWaalsContact O-OG1 3.08Å |
| 165 | C | 55.9 | Low | 52.7 | Low | 69 Ų | 69 | 105.6 Ų | 105.6 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -38 | 176.7 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | L161 C162 T168 M169 | L161-C165 VanDerWaalsContact O-CB 3.29Å; L161-C165 WeakPolarHBondContact O-CB 3.34Å; L161-C165 PolarHBondContact O-N 3.31Å; C162-C165 PolarHBondContact O-N 3.5Å; C165-T168 WeakPolarHBondContact CA-OG1 3.27Å; C165-T168 PolarHBondContact O-OG1 2.95Å; C165-M169 PolarHBondContact O-N 3.11Å; C165-M169 VanDerWaalsContact O-N 3.11Å |
| 166 | W | 56.2 | Low | 52.9 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 40% | 0.402 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -47.1 | 173.7 | -175.7 | -87.2 | 0 | 0 | 0 | 112.4 | W89 C162 W163 T168 M169 F170 | W89-W166 HydrophobicContact CH2-CE3 4.1Å; W89-W166 HydrophobicContact CH2-CZ3 4.43Å; W89-W166 AromaticContact CZ3-CE3 3.98Å; W89-W166 HydrophobicContact CZ3-CE3 3.98Å; W89-W166 AromaticContact CZ3-CZ3 3.88Å; W89-W166 HydrophobicContact CZ3-CZ3 3.88Å; C162-W166 WeakPolarHBondContact O-CB 3.1Å; C162-W166 PolarHBondContact O-N 3.26Å; W163-W166 PolarHBondContact O-N 3.42Å; W166-T168 VanDerWaalsContact C-N 3.28Å; W166-T168 PolarHBondContact O-N 3.29Å; W166-M169 PolarHBondContact O-N 3.3Å; W166-M169 VanDerWaalsContact O-N 3.11Å; W166-F170 HydrophobicContact CZ2-CD2 4.25Å; W166-F170 HydrophobicContact CZ2-CE2 4.39Å; W166-F170 PolarHBondContact O-N 3.07Å |
| 167 | D | 54.6 | Low | 53.3 | Low | 55 Ų | 55 | 111.6 Ų | 111.6 | 29% | 0.294 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59 | -39 | 176.4 | -171.1 | 67.3 | 0 | 0 | 0 | 111.4 | W163 L164 R171 | W163-D167 HydrophobicContact CZ3-CB 4.48Å; W163-D167 WeakPolarHBondContact O-CB 3.49Å; W163-D167 PolarHBondContact O-N 3.42Å; L164-D167 PolarHBondContact O-N 2.96Å; D167-R171 VanDerWaalsContact O-CB 3.27Å; D167-R171 WeakPolarHBondContact O-CB 3.31Å; D167-R171 PolarHBondContact O-N 3.22Å; D167-R171 VanDerWaalsContact O-N 3.15Å; D167-R171 IonicContact OD1-NH1 3.94Å; D167-R171 IonicContact OD2-CZ 3.71Å; D167-R171 IonicContact OD2-NH1 2.85Å; D167-R171 PolarHBondContact OD2-NH1 2.82Å |
| 168 | T | 52.5 | Low | 53.7 | Low | 86 Ų | 86 | 115.9 Ų | 115.9 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.3 | -32.9 | 175.1 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | L164 C165 W166 | L164-T168 VanDerWaalsContact O-CG2 3.3Å; L164-T168 WeakPolarHBondContact O-CG2 3.35Å; L164-T168 PolarHBondContact O-N 2.85Å; L164-T168 PolarHBondContact O-OG1 2.85Å; L164-T168 VanDerWaalsContact O-OG1 3.08Å; C165-T168 WeakPolarHBondContact CA-OG1 3.27Å; C165-T168 PolarHBondContact O-OG1 2.95Å; W166-T168 VanDerWaalsContact C-N 3.28Å; W166-T168 PolarHBondContact O-N 3.29Å |
| 169 | M | 55.7 | Low | 53.6 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 64% | 0.635 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.6 | -28.1 | 178.9 | -100.4 | -149.9 | -69 | 0 | 0 | 113 | C165 W166 | C165-M169 PolarHBondContact O-N 3.11Å; C165-M169 VanDerWaalsContact O-N 3.11Å; W166-M169 PolarHBondContact O-N 3.3Å; W166-M169 VanDerWaalsContact O-N 3.11Å |
| 170 | F | 46.6 | Very low | 53.6 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -98.3 | -10.3 | -175 | -133.8 | -89.3 | 0 | 0 | 0 | 114 | W166 | W166-F170 HydrophobicContact CZ2-CD2 4.25Å; W166-F170 HydrophobicContact CZ2-CE2 4.39Å; W166-F170 PolarHBondContact O-N 3.07Å |
| 171 | R | 47.2 | Very low | 53.3 | Low | 181 Ų | 181 | 121.3 Ų | 121.3 | 68% | 0.683 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -10 | 176 | -165 | 149.6 | 84.6 | -148.6 | 4 | 114.3 | D167 | D167-R171 VanDerWaalsContact O-CB 3.27Å; D167-R171 WeakPolarHBondContact O-CB 3.31Å; D167-R171 PolarHBondContact O-N 3.22Å; D167-R171 VanDerWaalsContact O-N 3.15Å; D167-R171 IonicContact OD1-NH1 3.94Å; D167-R171 IonicContact OD2-CZ 3.71Å; D167-R171 IonicContact OD2-NH1 2.85Å; D167-R171 PolarHBondContact OD2-NH1 2.82Å |
| 172 | E | 42.6 | Very low | 53 | Low | 176 Ų | 176 | 121.7 Ų | 121.7 | 82% | 0.822 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 10 | 178.5 | -61 | -70.9 | 158.7 | 0 | 0 | 112.8 | ||
| 173 | L | 45.9 | Very low | 52.9 | Low | 194 Ų | 194 | 127.8 Ų | 127.8 | 100% | 1.016 | 60% | 0.602 | S | S | * | * | trans | -115.4 | 0 | 176.2 | -96.2 | 139.2 | 0 | 0 | 0 | 110.2 |
Retrieved 173 of 173 residues in 128.2 ms
(Link to these results)