| 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 | 39.5 | Very low | 41 | Very low | 234 Ų | 234 | 157 Ų | 157 | 100% | 1.153 | 84% | 0.835 | S | S | * | * | 0 | 138.1 | 0 | -107.6 | 146.9 | 59 | 0 | 0 | 108 | |||||
| 2 | V | 44.7 | Very low | 40.5 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 55.4 | 83 | -169.2 | -68.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | K | 48.7 | Very low | 39.8 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | 83.1 | 88.8 | 54.1 | -158.1 | 169.4 | -176.6 | 170.5 | 0 | 114.4 | |||||
| 4 | L | 42.9 | Very low | 39.3 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 52.5 | 126.2 | 142.1 | -82.5 | 89.5 | 0 | 0 | 0 | 121 | ||||
| 5 | G | 39.5 | Very low | 39.5 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 167.5 | 83.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | N | 41.2 | Very low | 39.1 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -51.7 | 145.9 | -178.9 | -92.2 | 20.2 | 0 | 0 | 0 | 114.5 | ||||
| 7 | N | 48.5 | Very low | 39.3 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 160.4 | 160.3 | -74.7 | -78 | 0 | 0 | 0 | 111.8 | ||||
| 8 | F | 38.8 | Very low | 39.2 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 99.9 | 142.2 | 146.6 | -128.3 | -99 | 0 | 0 | 0 | 119.2 | ||||
| 9 | S | 35.4 | Very low | 39.1 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | 84.7 | 117.8 | 154.1 | 24.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 10 | D | 32.7 | Very low | 39.1 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | 79.5 | 111.5 | 126.6 | -73.5 | -58.5 | 0 | 0 | 0 | 120.1 | |||||
| 11 | K | 38.7 | Very low | 39.6 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | 77.3 | 134.8 | 117.8 | -156 | -179 | 175.7 | 172.6 | 0 | 115.8 | |||||
| 12 | N | 36 | Very low | 39.5 | Very low | 114 Ų | 114 | 140 Ų | 140 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | trans | 103.5 | 129.8 | 134.2 | -124.1 | 11.9 | 0 | 0 | 0 | 116.1 | ||||
| 13 | N | 30.8 | Very low | 39.6 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 68.6 | 107.1 | 135.7 | -83.4 | -17.1 | 0 | 0 | 0 | 116.3 | ||||
| 14 | A | 33.2 | Very low | 39.4 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | 96.6 | 117.9 | 73.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 15 | K | 42.4 | Very low | 39.4 | Very low | 210 Ų | 210 | 134.7 Ų | 134.7 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | 67.9 | 103.3 | 155.1 | -68.6 | -171.5 | 175.8 | -176.6 | 0 | 118.3 | ||||
| 16 | A | 32.8 | Very low | 40 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -150.3 | 110 | 133.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 17 | V | 43.3 | Very low | 40.4 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | 49.4 | 101.9 | 94.7 | -179.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 18 | S | 36.2 | Very low | 40.8 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -153 | 98.5 | 154.5 | -54.4 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 19 | E | 38.4 | Very low | 41.5 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | 31.2 | 80.9 | 84.9 | -64.9 | -70 | 123.1 | 0 | 0 | 110.2 | |||||
| 20 | D | 39.4 | Very low | 42.4 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | -144 | 95.6 | 144.2 | -148.2 | 2.2 | 0 | 0 | 0 | 108.3 | F22 | D20-F22 PolarHBondContact O-N 3.42Š| ||
| 21 | G | 49.8 | Very low | 43.1 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -78.5 | 109.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 22 | F | 35.8 | Very low | 43.8 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -142.8 | 92.7 | 150.7 | -95.5 | -81.8 | 0 | 0 | 0 | 108.3 | D20 | D20-F22 PolarHBondContact O-N 3.42Š| ||
| 23 | D | 46.8 | Very low | 44.3 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 40.3 | 122.5 | 139.2 | -83.3 | -30.7 | 0 | 0 | 0 | 121 | ||||
| 24 | T | 45 | Very low | 45.4 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | 95.4 | 122.8 | 126.5 | 57.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 25 | I | 43.8 | Very low | 46.3 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | 103.7 | 118 | 147.6 | -57.6 | 135.8 | 0 | 0 | 0 | 115 | ||||
| 26 | P | 50.4 | Low | 46.5 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -76.8 | 130.8 | -153.6 | 28.1 | -34.5 | 0 | 0 | 0 | 114.7 | ||||
| 27 | L | 50.1 | Low | 47.1 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -68.4 | 133.1 | 164.6 | -79.4 | 81.3 | 0 | 0 | 0 | 111.6 | ||||
| 28 | I | 57.7 | Low | 47.2 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -27.8 | 140.1 | 152.8 | -62 | 137.5 | 0 | 0 | 0 | 114 | ||||
| 29 | T | 52.4 | Low | 47.5 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | -176.2 | 133.6 | 124.3 | 24.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 30 | P | 54.1 | Low | 47.6 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | trans | -99.6 | 146.9 | 176.6 | 37.2 | -30.2 | 0 | 0 | 0 | 112.4 | ||||
| 31 | L | 48.3 | Very low | 48 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -161.9 | 146 | 157.8 | -143.8 | 60.7 | 0 | 0 | 0 | 117.1 | ||||
| 32 | D | 54 | Low | 47.6 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | -50.7 | 143.7 | -177.8 | 179 | 29 | 0 | 0 | 0 | 117.7 | S34 | D32-S34 VanDerWaalsContact CG-OG 3.3Å; D32-S34 PolarHBondContact OD1-N 3.31Å; D32-S34 PolarHBondContact OD1-OG 2.99Å; D32-S34 PolarHBondContact OD2-OG 3.1Å | ||
| 33 | A | 45.8 | Very low | 48.5 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | trans | -130.5 | 39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q35 | A33-Q35 PolarHBondContact O-N 2.64Š| ||
| 34 | S | 54.5 | Low | 48.1 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 7.7 | 149 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | D32 | D32-S34 VanDerWaalsContact CG-OG 3.3Å; D32-S34 PolarHBondContact OD1-N 3.31Å; D32-S34 PolarHBondContact OD1-OG 2.99Å; D32-S34 PolarHBondContact OD2-OG 3.1Å |
| 35 | Q | 52.3 | Low | 48.1 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 7.3 | -174.1 | -65.8 | -165.1 | 28.7 | 0 | 0 | 116.5 | A33 Q37 | A33-Q35 PolarHBondContact O-N 2.64Å; Q35-Q37 VanDerWaalsContact C-N 3.32Å |
| 36 | L | 45.7 | Very low | 47.7 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -105.3 | 51.1 | 167.5 | -69.4 | 169.3 | 0 | 0 | 0 | 110.8 | F38 | L36-F38 VanDerWaalsContact O-CD2 3.27Å; L36-F38 WeakPolarHBondContact O-CD2 3.46Å; L36-F38 PolarHBondContact O-N 2.93Å; L36-F38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | Q | 45 | Very low | 47.8 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -54.1 | 108.8 | 159.3 | -174.4 | 160.9 | 12.7 | 0 | 0 | 108.6 | Q35 P39 | Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q37-P39 VanDerWaalsContact O-CD 3.29Å; Q37-P39 WeakPolarHBondContact O-CD 2.99Å | ||
| 38 | F | 46.8 | Very low | 48 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78 | 118 | 175.7 | -78.3 | -93.4 | 0 | 0 | 0 | 110.2 | L36 | L36-F38 VanDerWaalsContact O-CD2 3.27Å; L36-F38 WeakPolarHBondContact O-CD2 3.46Å; L36-F38 PolarHBondContact O-N 2.93Å; L36-F38 VanDerWaalsContact O-N 3.16Å |
| 39 | P | 42.5 | Very low | 47.7 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 149.3 | 161.7 | 18 | -0.4 | 0 | 0 | 0 | 111.2 | Q37 | Q37-P39 VanDerWaalsContact O-CD 3.29Å; Q37-P39 WeakPolarHBondContact O-CD 2.99Å |
| 40 | A | 40.3 | Very low | 47.3 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 131.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 41 | L | 47.9 | Very low | 46.3 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | 37.8 | 105.2 | 113.3 | -153.3 | 139.3 | 0 | 0 | 0 | 116.2 | K43 | L41-K43 HydrophobicContact CD2-CD 4.02Å; L41-K43 HydrophobicContact CD2-CG 3.5Å; L41-K43 VanDerWaalsContact CD2-CG 3.5Å | |||
| 42 | D | 39.6 | Very low | 45.7 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -123.8 | 140.2 | 149 | -144.9 | -2.9 | 0 | 0 | 0 | 111.8 | ||||
| 43 | K | 54.9 | Low | 44.8 | Very low | 161 Ų | 161 | 143 Ų | 143 | 70% | 0.7 | 76% | 0.764 | S | S | * | * | trans | -93.7 | -174 | -160.1 | -61.6 | 174 | -178.2 | 176.9 | 0 | 110.4 | L41 | L41-K43 HydrophobicContact CD2-CD 4.02Å; L41-K43 HydrophobicContact CD2-CG 3.5Å; L41-K43 VanDerWaalsContact CD2-CG 3.5Å | ||
| 44 | V | 39.3 | Very low | 44.7 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 98.8 | 101.5 | 170.2 | -168 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 45 | V | 45.4 | Very low | 44.1 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | -152.9 | 124.7 | 73.4 | 161.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 46 | V | 34.5 | Very low | 43.5 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | 39.6 | 114.7 | 141.8 | -164.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 47 | K | 52.8 | Low | 43.2 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | trans | -93 | 101.8 | -175.9 | -162 | 175.6 | -173.6 | 177.5 | 0 | 109.9 | K49 | K47-K49 PolarHBondContact O-N 2.68Š| ||
| 48 | T | 54.9 | Low | 43.7 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -84.5 | 107.3 | 164 | 40.5 | 0 | 0 | 0 | 0 | 109.5 | T50 | T48-T50 PolarHBondContact O-N 3.31Š| ||
| 49 | K | 50.2 | Low | 43.6 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 107.8 | 175.2 | -177.2 | -174.1 | -177.2 | -176.7 | 0 | 109.6 | K47 D51 | K47-K49 PolarHBondContact O-N 2.68Å; K49-D51 WeakPolarHBondContact CE-OD2 3.37Å; K49-D51 WeakPolarHBondContact CG-OD2 3.34Å | ||
| 50 | T | 44.7 | Very low | 43.6 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -125.9 | 86.4 | 150.9 | 48.5 | 0 | 0 | 0 | 0 | 107.9 | T48 Y52 K57 | T48-T50 PolarHBondContact O-N 3.31Å; T50-Y52 PolarHBondContact O-N 3.37Å; T50-K57 PolarHBondContact O-NZ 2.77Å | ||
| 51 | D | 33.6 | Very low | 44 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -64 | 103.7 | 161.4 | -69.7 | -52.5 | 0 | 0 | 0 | 107.3 | K49 | K49-D51 WeakPolarHBondContact CE-OD2 3.37Å; K49-D51 WeakPolarHBondContact CG-OD2 3.34Å | ||
| 52 | Y | 35.8 | Very low | 44 | Very low | 204 Ų | 204 | 152.2 Ų | 152.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -112.8 | 102.8 | 155.3 | -171.1 | -97.3 | 0 | 0 | 0 | 105.1 | T50 | T50-Y52 PolarHBondContact O-N 3.37Š| ||
| 53 | D | 34.3 | Very low | 44.3 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 133.3 | 170.2 | -173.8 | 41.1 | 0 | 0 | 0 | 108.4 | ||||
| 54 | G | 43.2 | Very low | 43.8 | Very low | 61 Ų | 61 | 146 Ų | 146 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | S | Bend | cis | -140.6 | 154.9 | 23.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 55 | G | 43 | Very low | 44.2 | Very low | 78 Ų | 78 | 147.1 Ų | 147.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 92.3 | 29.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 56 | N | 40.1 | Very low | 44.7 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | 62.2 | 125 | 157.4 | -136.1 | 2.4 | 0 | 0 | 0 | 119.5 | ||||
| 57 | K | 37.5 | Very low | 45.5 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | -90.1 | 128.2 | -158.8 | -62.7 | 168.5 | 178.5 | 167.2 | 0 | 113.8 | T50 | T50-K57 PolarHBondContact O-NZ 2.77Š| ||
| 58 | K | 55.5 | Low | 45.4 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | 36.2 | 98.4 | 121 | -149.1 | 174 | -170.1 | 176.8 | 0 | 118.2 | |||||
| 59 | S | 45.2 | Very low | 45.2 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -158.7 | 54.3 | 153.7 | 71 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 60 | R | 42.7 | Very low | 45.4 | Very low | 221 Ų | 221 | 134.4 Ų | 134.4 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -134.5 | 111.9 | 140.3 | -71.2 | -167.2 | -163.5 | -145.1 | 5.5 | 107.1 | R62 | R60-R62 PolarHBondContact O-N 3.27Š| ||
| 61 | L | 48.6 | Very low | 45.8 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | trans | -55.6 | 77.1 | 143.1 | -80.3 | 85.2 | 0 | 0 | 0 | 106.7 | S63 | L61-S63 VanDerWaalsContact C-N 3.25Å; L61-S63 PolarHBondContact O-N 2.67Å | ||
| 62 | R | 48.3 | Very low | 46.7 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -83.7 | 91.6 | 154.7 | -167.2 | 86 | -172.3 | -165.9 | 5.5 | 102.6 | R60 P64 | R60-R62 PolarHBondContact O-N 3.27Å; R62-P64 WeakPolarHBondContact O-CD 3.26Å | ||
| 63 | S | 45.8 | Very low | 47.6 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | trans | -41.5 | 108.3 | 168 | -42.6 | 0 | 0 | 0 | 0 | 107.7 | L61 K65 | L61-S63 VanDerWaalsContact C-N 3.25Å; L61-S63 PolarHBondContact O-N 2.67Å; S63-K65 PolarHBondContact O-N 2.98Å | ||
| 64 | P | 44.8 | Very low | 48.8 | Very low | 95 Ų | 95 | 124 Ų | 124 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -72.7 | 126.8 | 170.5 | 4.3 | 12.9 | 0 | 0 | 0 | 104 | R62 I66 | R62-P64 WeakPolarHBondContact O-CD 3.26Å; P64-I66 HydrophobicContact CB-CD1 4.23Å; P64-I66 HydrophobicContact CB-CG1 3.97Å; P64-I66 HydrophobicContact CG-CD1 4Å; P64-I66 HydrophobicContact CG-CG1 4.31Å; P64-I66 PolarHBondContact O-N 3.33Å | ||
| 65 | K | 47.8 | Very low | 49.4 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | trans | -57.9 | 77.8 | 166.4 | -86.7 | -177.2 | 155.4 | -155.5 | 0 | 108.5 | S63 A67 E68 | S63-K65 PolarHBondContact O-N 2.98Å; K65-A67 PolarHBondContact O-N 3.43Å; K65-E68 IonicContact NZ-OE1 2.82Å; K65-E68 PolarHBondContact NZ-OE1 3.49Å | ||
| 66 | I | 55.2 | Low | 50.1 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 56% | 0.564 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -8.7 | 176.3 | -67.1 | 164.7 | 0 | 0 | 0 | 110 | P64 E68 S70 | P64-I66 HydrophobicContact CB-CD1 4.23Å; P64-I66 HydrophobicContact CB-CG1 3.97Å; P64-I66 HydrophobicContact CG-CD1 4Å; P64-I66 HydrophobicContact CG-CG1 4.31Å; P64-I66 PolarHBondContact O-N 3.33Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 2.82Å; I66-S70 VanDerWaalsContact O-CB 3.28Å; I66-S70 WeakPolarHBondContact O-CB 3.43Å; I66-S70 PolarHBondContact O-N 3.49Å; I66-S70 PolarHBondContact O-OG 2.83Å |
| 67 | A | 52.4 | Low | 50.9 | Low | 64 Ų | 64 | 121.2 Ų | 121.2 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.3 | -33.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K65 S70 I71 | K65-A67 PolarHBondContact O-N 3.43Å; A67-S70 PolarHBondContact O-OG 3.44Å; A67-I71 WeakPolarHBondContact O-CD1 3.37Å; A67-I71 WeakPolarHBondContact O-CG1 2.89Å |
| 68 | E | 51 | Low | 51.9 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -89.7 | -28.1 | -172.9 | -66.7 | 167.9 | -155 | 0 | 0 | 113.2 | K65 I66 | K65-E68 IonicContact NZ-OE1 2.82Å; K65-E68 PolarHBondContact NZ-OE1 3.49Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 2.82Å |
| 69 | F | 50.6 | Low | 52.5 | Low | 158 Ų | 158 | 113.9 Ų | 113.9 | 69% | 0.693 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -89.3 | -25 | 176.8 | -87.8 | -81.7 | 0 | 0 | 0 | 113.8 | S72 I73 | F69-S72 PolarHBondContact O-OG 3.38Å; F69-I73 WeakPolarHBondContact O-CD1 3.15Å; F69-I73 WeakPolarHBondContact O-CG1 3.08Å; F69-I73 PolarHBondContact O-N 2.69Å |
| 70 | S | 53.1 | Low | 53.6 | Low | 40 Ų | 40 | 117.7 Ų | 117.7 | 28% | 0.28 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71 | -37.8 | 175.8 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | I66 A67 S72 I73 I74 | I66-S70 VanDerWaalsContact O-CB 3.28Å; I66-S70 WeakPolarHBondContact O-CB 3.43Å; I66-S70 PolarHBondContact O-N 3.49Å; I66-S70 PolarHBondContact O-OG 2.83Å; A67-S70 PolarHBondContact O-OG 3.44Å; S70-S72 PolarHBondContact O-N 3.18Å; S70-I73 PolarHBondContact O-N 2.82Å; S70-I74 WeakPolarHBondContact O-CB 3.08Å; S70-I74 WeakPolarHBondContact O-CD1 3.17Å; S70-I74 WeakPolarHBondContact O-CG1 3.14Å; S70-I74 PolarHBondContact O-N 2.67Å |
| 71 | I | 53.2 | Low | 55.1 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 54% | 0.544 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | -177.6 | -62.3 | 164.4 | 0 | 0 | 0 | 111.8 | A67 I74 E75 | A67-I71 WeakPolarHBondContact O-CD1 3.37Å; A67-I71 WeakPolarHBondContact O-CG1 2.89Å; I71-I74 PolarHBondContact O-N 3.34Å; I71-E75 WeakPolarHBondContact O-CB 3.18Å; I71-E75 PolarHBondContact O-N 2.74Å |
| 72 | S | 53.8 | Low | 56.8 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 51% | 0.51 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.6 | -32.5 | -179 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | F69 S70 G76 | F69-S72 PolarHBondContact O-OG 3.38Å; S70-S72 PolarHBondContact O-N 3.18Å; S72-G76 PolarHBondContact O-N 2.9Å |
| 73 | I | 54.2 | Low | 58.7 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 53% | 0.533 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -74 | -36.5 | 171.8 | -59.8 | 170.8 | 0 | 0 | 0 | 109.7 | F69 S70 V77 | F69-I73 WeakPolarHBondContact O-CD1 3.15Å; F69-I73 WeakPolarHBondContact O-CG1 3.08Å; F69-I73 PolarHBondContact O-N 2.69Å; S70-I73 PolarHBondContact O-N 2.82Å; I73-V77 HydrophobicContact CG2-CG2 3.86Å; I73-V77 WeakPolarHBondContact O-CB 3.28Å; I73-V77 WeakPolarHBondContact O-CG2 3.25Å; I73-V77 PolarHBondContact O-N 2.7Å |
| 74 | I | 59 | Low | 60.7 | Low | 101 Ų | 101 | 103.4 Ų | 103.4 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 175.2 | -66.9 | 160.7 | 0 | 0 | 0 | 110.1 | S70 I71 S78 | S70-I74 WeakPolarHBondContact O-CB 3.08Å; S70-I74 WeakPolarHBondContact O-CD1 3.17Å; S70-I74 WeakPolarHBondContact O-CG1 3.14Å; S70-I74 PolarHBondContact O-N 2.67Å; I71-I74 PolarHBondContact O-N 3.34Å; I74-S78 WeakPolarHBondContact O-CA 3.44Å; I74-S78 WeakPolarHBondContact O-CB 2.99Å; I74-S78 PolarHBondContact O-N 2.86Å; I74-S78 PolarHBondContact O-OG 3.3Å |
| 75 | E | 56.4 | Low | 62.7 | Low | 137 Ų | 137 | 104.5 Ų | 104.5 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -49.1 | -178.9 | -155 | 73 | -150.4 | 0 | 0 | 111.8 | I71 S78 | I71-E75 WeakPolarHBondContact O-CB 3.18Å; I71-E75 PolarHBondContact O-N 2.74Å; E75-S78 PolarHBondContact O-OG 3.42Å |
| 76 | G | 56.7 | Low | 64.8 | Low | 55 Ų | 55 | 102.5 Ų | 102.5 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.4 | -23.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S72 | S72-G76 PolarHBondContact O-N 2.9Å |
| 77 | V | 56.5 | Low | 66.7 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 35% | 0.345 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -96.8 | -12.2 | 175 | -160 | 0 | 0 | 0 | 0 | 110.3 | I73 E79 R80 L81 | I73-V77 HydrophobicContact CG2-CG2 3.86Å; I73-V77 WeakPolarHBondContact O-CB 3.28Å; I73-V77 WeakPolarHBondContact O-CG2 3.25Å; I73-V77 PolarHBondContact O-N 2.7Å; V77-E79 VanDerWaalsContact C-N 3.33Å; V77-E79 PolarHBondContact O-N 3.41Å; V77-R80 PolarHBondContact O-N 3.5Å; V77-L81 HydrophobicContact CB-CD1 3.91Å; V77-L81 HydrophobicContact CB-CG 4.26Å; V77-L81 HydrophobicContact CG1-CD1 3.51Å; V77-L81 HydrophobicContact CG1-CD2 4.2Å; V77-L81 HydrophobicContact CG1-CG 3.45Å; V77-L81 VanDerWaalsContact CG1-CG 3.45Å; V77-L81 WeakPolarHBondContact O-CA 3.44Å; V77-L81 WeakPolarHBondContact O-CB 3.21Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 2.85Å |
| 78 | S | 58.5 | Low | 68.6 | Low | 44 Ų | 44 | 102.5 Ų | 102.5 | 31% | 0.308 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 177.8 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | I74 E75 K82 | I74-S78 WeakPolarHBondContact O-CA 3.44Å; I74-S78 WeakPolarHBondContact O-CB 2.99Å; I74-S78 PolarHBondContact O-N 2.86Å; I74-S78 PolarHBondContact O-OG 3.3Å; E75-S78 PolarHBondContact O-OG 3.42Å; S78-K82 WeakPolarHBondContact O-CA 2.96Å; S78-K82 WeakPolarHBondContact O-CB 3.39Å; S78-K82 PolarHBondContact O-N 3.29Å |
| 79 | E | 67.9 | Low | 70.7 | Confident | 155 Ų | 155 | 99.3 Ų | 99.3 | 72% | 0.724 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.4 | -43.3 | -179.5 | -157.1 | 171.7 | -159.6 | 0 | 0 | 110.7 | V77 V83 | V77-E79 VanDerWaalsContact C-N 3.33Å; V77-E79 PolarHBondContact O-N 3.41Å; E79-V83 WeakPolarHBondContact O-CG2 3.48Å; E79-V83 PolarHBondContact O-N 2.85Å; E79-V83 VanDerWaalsContact O-N 3.1Å |
| 80 | R | 68.4 | Low | 72.8 | Confident | 195 Ų | 195 | 94 Ų | 94 | 74% | 0.736 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.7 | -37.6 | 178 | -59.9 | -174.4 | -175.2 | -102.2 | -0.7 | 112.6 | V77 T84 | V77-R80 PolarHBondContact O-N 3.5Å; R80-T84 VanDerWaalsContact O-CB 3.26Å; R80-T84 WeakPolarHBondContact O-CB 3.21Å; R80-T84 PolarHBondContact O-N 3.36Å; R80-T84 PolarHBondContact O-OG1 3.4Å |
| 81 | L | 75.5 | Confident | 74.9 | Confident | 96 Ų | 96 | 97 Ų | 97 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.7 | -32 | 175.2 | -72.4 | 169.8 | 0 | 0 | 0 | 111.6 | V77 T84 L85 | V77-L81 HydrophobicContact CB-CD1 3.91Å; V77-L81 HydrophobicContact CB-CG 4.26Å; V77-L81 HydrophobicContact CG1-CD1 3.51Å; V77-L81 HydrophobicContact CG1-CD2 4.2Å; V77-L81 HydrophobicContact CG1-CG 3.45Å; V77-L81 VanDerWaalsContact CG1-CG 3.45Å; V77-L81 WeakPolarHBondContact O-CA 3.44Å; V77-L81 WeakPolarHBondContact O-CB 3.21Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 2.85Å; L81-T84 PolarHBondContact O-N 2.87Å; L81-L85 WeakPolarHBondContact O-CA 3.04Å; L81-L85 WeakPolarHBondContact O-CB 3.2Å; L81-L85 PolarHBondContact O-N 2.68Å |
| 82 | K | 83.1 | Confident | 76.9 | Confident | 144 Ų | 144 | 94.4 Ų | 94.4 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.8 | -42.4 | 177.3 | -170.7 | 171.3 | -173.5 | 172.2 | 0 | 109.5 | S78 L86 | S78-K82 WeakPolarHBondContact O-CA 2.96Å; S78-K82 WeakPolarHBondContact O-CB 3.39Å; S78-K82 PolarHBondContact O-N 3.29Å; K82-L86 HydrophobicContact CG-CD1 4.46Å; K82-L86 VanDerWaalsContact O-CB 3.23Å; K82-L86 WeakPolarHBondContact O-CB 3.12Å; K82-L86 WeakPolarHBondContact O-CG 3.27Å; K82-L86 PolarHBondContact O-N 2.7Å |
| 83 | V | 88 | Confident | 79 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 169.1 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | E79 L85 L86 V87 | E79-V83 WeakPolarHBondContact O-CG2 3.48Å; E79-V83 PolarHBondContact O-N 2.85Å; E79-V83 VanDerWaalsContact O-N 3.1Å; V83-L85 PolarHBondContact O-N 3.42Å; V83-L86 PolarHBondContact O-N 3.5Å; V83-V87 HydrophobicContact CG1-CG2 4.33Å; V83-V87 WeakPolarHBondContact O-CB 3.33Å; V83-V87 WeakPolarHBondContact O-CG2 3.29Å; V83-V87 PolarHBondContact O-N 3.45Å |
| 84 | T | 88.4 | Confident | 81 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | -179.1 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | R80 L81 V87 I88 | R80-T84 VanDerWaalsContact O-CB 3.26Å; R80-T84 WeakPolarHBondContact O-CB 3.21Å; R80-T84 PolarHBondContact O-N 3.36Å; R80-T84 PolarHBondContact O-OG1 3.4Å; L81-T84 PolarHBondContact O-N 2.87Å; T84-V87 PolarHBondContact O-N 3.33Å; T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 WeakPolarHBondContact O-CB 3.49Å; T84-I88 WeakPolarHBondContact O-CD1 3.35Å; T84-I88 WeakPolarHBondContact O-CG1 2.84Å; T84-I88 PolarHBondContact O-N 2.84Å |
| 85 | L | 87.8 | Confident | 82.7 | Confident | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -41.9 | 177.1 | -177.9 | 67.2 | 0 | 0 | 0 | 110.9 | L81 V83 V87 I88 C89 | L81-L85 WeakPolarHBondContact O-CA 3.04Å; L81-L85 WeakPolarHBondContact O-CB 3.2Å; L81-L85 PolarHBondContact O-N 2.68Å; V83-L85 PolarHBondContact O-N 3.42Å; L85-V87 VanDerWaalsContact C-N 3.31Å; L85-V87 PolarHBondContact O-N 3.17Å; L85-I88 PolarHBondContact O-N 3.33Å; L85-C89 WeakPolarHBondContact O-CB 3.26Å; L85-C89 PolarHBondContact O-N 2.96Å |
| 86 | L | 91.9 | Very high | 84.5 | Confident | 113 Ų | 113 | 94.3 Ų | 94.3 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 173.2 | -73.9 | 173.5 | 0 | 0 | 0 | 111.2 | K82 V83 C89 A90 | K82-L86 HydrophobicContact CG-CD1 4.46Å; K82-L86 VanDerWaalsContact O-CB 3.23Å; K82-L86 WeakPolarHBondContact O-CB 3.12Å; K82-L86 WeakPolarHBondContact O-CG 3.27Å; K82-L86 PolarHBondContact O-N 2.7Å; V83-L86 PolarHBondContact O-N 3.5Å; L86-C89 PolarHBondContact O-N 3.36Å; L86-A90 VanDerWaalsContact O-CB 3.26Å; L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 3.34Å |
| 87 | V | 93.7 | Very high | 86.3 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | V83 T84 L85 C89 A90 L91 | V83-V87 HydrophobicContact CG1-CG2 4.33Å; V83-V87 WeakPolarHBondContact O-CB 3.33Å; V83-V87 WeakPolarHBondContact O-CG2 3.29Å; V83-V87 PolarHBondContact O-N 3.45Å; T84-V87 PolarHBondContact O-N 3.33Å; L85-V87 VanDerWaalsContact C-N 3.31Å; L85-V87 PolarHBondContact O-N 3.17Å; V87-C89 VanDerWaalsContact C-N 3.31Å; V87-C89 PolarHBondContact O-N 3.42Å; V87-A90 PolarHBondContact O-N 3.16Å; V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.4Å; V87-L91 WeakPolarHBondContact O-CB 2.88Å; V87-L91 VanDerWaalsContact O-CG 3.25Å; V87-L91 WeakPolarHBondContact O-CG 3.07Å; V87-L91 PolarHBondContact O-N 3.32Å |
| 88 | I | 93.7 | Very high | 88.1 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.7 | -68.1 | 163.1 | 0 | 0 | 0 | 110.7 | T84 L85 L91 A92 | T84-I88 HydrophobicContact CG2-CD1 3.89Å; T84-I88 WeakPolarHBondContact O-CB 3.49Å; T84-I88 WeakPolarHBondContact O-CD1 3.35Å; T84-I88 WeakPolarHBondContact O-CG1 2.84Å; T84-I88 PolarHBondContact O-N 2.84Å; L85-I88 PolarHBondContact O-N 3.33Å; I88-L91 PolarHBondContact O-N 3.44Å; I88-A92 WeakPolarHBondContact O-CB 3.3Å; I88-A92 PolarHBondContact O-N 3.26Å |
| 89 | C | 93.9 | Very high | 89.6 | Confident | 55 Ų | 55 | 101.8 Ų | 101.8 | 37% | 0.372 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.8 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | L85 L86 V87 A92 F93 | L85-C89 WeakPolarHBondContact O-CB 3.26Å; L85-C89 PolarHBondContact O-N 2.96Å; L86-C89 PolarHBondContact O-N 3.36Å; V87-C89 VanDerWaalsContact C-N 3.31Å; V87-C89 PolarHBondContact O-N 3.42Å; C89-A92 PolarHBondContact O-N 3.47Å; C89-F93 WeakPolarHBondContact O-CD2 3.11Å; C89-F93 PolarHBondContact O-N 2.87Å; C89-F93 WeakPolarHBondContact SG-CE2 3.08Å |
| 90 | A | 95.5 | Very high | 90.6 | Very high | 48 Ų | 48 | 99.4 Ų | 99.4 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L86 V87 F93 L94 | L86-A90 VanDerWaalsContact O-CB 3.26Å; L86-A90 WeakPolarHBondContact O-CB 3.48Å; L86-A90 PolarHBondContact O-N 3.34Å; V87-A90 PolarHBondContact O-N 3.16Å; A90-F93 PolarHBondContact O-N 2.83Å; A90-L94 WeakPolarHBondContact O-CB 3.34Å; A90-L94 VanDerWaalsContact O-CG 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.22Å; A90-L94 PolarHBondContact O-N 2.89Å |
| 91 | L | 96.2 | Very high | 91.7 | Very high | 102 Ų | 102 | 94.1 Ų | 94.1 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.4 | -70.7 | 173.2 | 0 | 0 | 0 | 111.6 | V87 I88 L94 V95 | V87-L91 HydrophobicContact CG1-CD1 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.4Å; V87-L91 WeakPolarHBondContact O-CB 2.88Å; V87-L91 VanDerWaalsContact O-CG 3.25Å; V87-L91 WeakPolarHBondContact O-CG 3.07Å; V87-L91 PolarHBondContact O-N 3.32Å; I88-L91 PolarHBondContact O-N 3.44Å; L91-L94 PolarHBondContact O-N 2.81Å; L91-V95 WeakPolarHBondContact O-CG2 3.35Å; L91-V95 PolarHBondContact O-N 3.44Å |
| 92 | A | 96.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 92.5 Ų | 92.5 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I88 C89 V95 C96 | I88-A92 WeakPolarHBondContact O-CB 3.3Å; I88-A92 PolarHBondContact O-N 3.26Å; C89-A92 PolarHBondContact O-N 3.47Å; A92-V95 PolarHBondContact O-N 3.44Å; A92-C96 WeakPolarHBondContact O-CB 3.29Å; A92-C96 PolarHBondContact O-N 2.77Å; A92-C96 PolarHBondContact O-SG 2.8Å |
| 93 | F | 97.3 | Very high | 92 | Very high | 135 Ų | 135 | 91.1 Ų | 91.1 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 175.5 | -78.8 | -59.7 | 0 | 0 | 0 | 112.8 | C89 A90 C96 V97 | C89-F93 WeakPolarHBondContact O-CD2 3.11Å; C89-F93 PolarHBondContact O-N 2.87Å; C89-F93 WeakPolarHBondContact SG-CE2 3.08Å; A90-F93 PolarHBondContact O-N 2.83Å; F93-C96 PolarHBondContact O-N 3.46Å; F93-V97 VanDerWaalsContact O-CG2 3.3Å; F93-V97 WeakPolarHBondContact O-CG2 3.49Å; F93-V97 PolarHBondContact O-N 3.43Å |
| 94 | L | 96.1 | Very high | 91.5 | Very high | 111 Ų | 111 | 92.6 Ų | 92.6 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -46 | 175.8 | -74.7 | 174 | 0 | 0 | 0 | 111.4 | A90 L91 C96 V97 V98 | A90-L94 WeakPolarHBondContact O-CB 3.34Å; A90-L94 VanDerWaalsContact O-CG 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.22Å; A90-L94 PolarHBondContact O-N 2.89Å; L91-L94 PolarHBondContact O-N 2.81Å; L94-C96 VanDerWaalsContact C-N 3.35Å; L94-C96 PolarHBondContact O-N 3.26Å; L94-V97 PolarHBondContact O-N 3.41Å; L94-V98 WeakPolarHBondContact O-CB 3.23Å; L94-V98 VanDerWaalsContact O-CG2 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.31Å; L94-V98 PolarHBondContact O-N 3.49Å |
| 95 | V | 95.5 | Very high | 90.8 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L91 A92 V97 V98 F99 | L91-V95 WeakPolarHBondContact O-CG2 3.35Å; L91-V95 PolarHBondContact O-N 3.44Å; A92-V95 PolarHBondContact O-N 3.44Å; V95-V97 PolarHBondContact O-N 2.91Å; V95-V98 PolarHBondContact O-N 3.31Å; V95-F99 VanDerWaalsContact O-CB 3.23Å; V95-F99 WeakPolarHBondContact O-CB 3.33Å; V95-F99 PolarHBondContact O-N 3.26Å |
| 96 | C | 94.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 96 Ų | 96 | 46% | 0.459 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.8 | -75.1 | 0 | 0 | 0 | 0 | 112.3 | A92 F93 L94 F99 L100 | A92-C96 WeakPolarHBondContact O-CB 3.29Å; A92-C96 PolarHBondContact O-N 2.77Å; A92-C96 PolarHBondContact O-SG 2.8Å; F93-C96 PolarHBondContact O-N 3.46Å; L94-C96 VanDerWaalsContact C-N 3.35Å; L94-C96 PolarHBondContact O-N 3.26Å; C96-F99 PolarHBondContact O-N 2.85Å; C96-L100 VanDerWaalsContact O-CB 3.31Å; C96-L100 WeakPolarHBondContact O-CB 3.3Å; C96-L100 WeakPolarHBondContact O-CG 3.18Å; C96-L100 PolarHBondContact O-N 3.15Å |
| 97 | V | 94.6 | Very high | 88 | Confident | 86 Ų | 86 | 93.8 Ų | 93.8 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | F93 L94 V95 F99 L100 V101 | F93-V97 VanDerWaalsContact O-CG2 3.3Å; F93-V97 WeakPolarHBondContact O-CG2 3.49Å; F93-V97 PolarHBondContact O-N 3.43Å; L94-V97 PolarHBondContact O-N 3.41Å; V95-V97 PolarHBondContact O-N 2.91Å; V97-F99 VanDerWaalsContact C-N 3.33Å; V97-F99 PolarHBondContact O-N 3.21Å; V97-L100 PolarHBondContact O-N 3.47Å; V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 VanDerWaalsContact O-CG2 3.32Å; V97-V101 WeakPolarHBondContact O-CG2 3.26Å; V97-V101 PolarHBondContact O-N 2.79Å |
| 98 | V | 93.6 | Very high | 86.1 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 175 | 172 | 0 | 0 | 0 | 0 | 110.2 | L94 V95 L100 V101 V102 | L94-V98 WeakPolarHBondContact O-CB 3.23Å; L94-V98 VanDerWaalsContact O-CG2 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.31Å; L94-V98 PolarHBondContact O-N 3.49Å; V95-V98 PolarHBondContact O-N 3.31Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.81Å; V98-V101 PolarHBondContact O-N 3.39Å; V98-V102 HydrophobicContact CG1-CG2 4.22Å; V98-V102 WeakPolarHBondContact O-CB 3.35Å; V98-V102 VanDerWaalsContact O-CG2 3.22Å; V98-V102 WeakPolarHBondContact O-CG2 3.19Å; V98-V102 PolarHBondContact O-N 3.5Å |
| 99 | F | 90.2 | Very high | 84.2 | Confident | 134 Ų | 134 | 99.5 Ų | 99.5 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -36.7 | 176.2 | -168.2 | -94.9 | 0 | 0 | 0 | 111.7 | V95 C96 V97 Y103 | V95-F99 VanDerWaalsContact O-CB 3.23Å; V95-F99 WeakPolarHBondContact O-CB 3.33Å; V95-F99 PolarHBondContact O-N 3.26Å; C96-F99 PolarHBondContact O-N 2.85Å; V97-F99 VanDerWaalsContact C-N 3.33Å; V97-F99 PolarHBondContact O-N 3.21Å; F99-Y103 HydrophobicContact CE1-CD2 4.2Å; F99-Y103 WeakPolarHBondContact O-CA 3.31Å; F99-Y103 WeakPolarHBondContact O-CB 3.32Å; F99-Y103 PolarHBondContact O-N 2.68Å |
| 100 | L | 89.6 | Confident | 82.3 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -34.6 | 175.4 | -76.7 | 173.7 | 0 | 0 | 0 | 112.5 | C96 V97 V98 K104 | C96-L100 VanDerWaalsContact O-CB 3.31Å; C96-L100 WeakPolarHBondContact O-CB 3.3Å; C96-L100 WeakPolarHBondContact O-CG 3.18Å; C96-L100 PolarHBondContact O-N 3.15Å; V97-L100 PolarHBondContact O-N 3.47Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.81Å; L100-K104 WeakPolarHBondContact O-CA 3.2Å; L100-K104 WeakPolarHBondContact O-CB 3.38Å; L100-K104 VanDerWaalsContact O-CG 3.26Å; L100-K104 WeakPolarHBondContact O-CG 3.45Å; L100-K104 PolarHBondContact O-N 2.68Å |
| 101 | V | 90.3 | Very high | 80.6 | Confident | 84 Ų | 84 | 104.9 Ų | 104.9 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.2 | -48.6 | 174 | 171.4 | 0 | 0 | 0 | 0 | 109.7 | V97 V98 K104 V105 | V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 VanDerWaalsContact O-CG2 3.32Å; V97-V101 WeakPolarHBondContact O-CG2 3.26Å; V97-V101 PolarHBondContact O-N 2.79Å; V98-V101 PolarHBondContact O-N 3.39Å; V101-K104 CarbonylContact O-C 3.53Å; V101-K104 PolarHBondContact O-N 3.19Å; V101-V105 HydrophobicContact CG1-CG2 4.41Å; V101-V105 WeakPolarHBondContact O-CB 3.48Å; V101-V105 WeakPolarHBondContact O-CG2 3.08Å; V101-V105 PolarHBondContact O-N 2.84Å |
| 102 | V | 85.8 | Confident | 78.6 | Confident | 62 Ų | 62 | 100.8 Ų | 100.8 | 38% | 0.376 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | V98 K104 V105 Y106 | V98-V102 HydrophobicContact CG1-CG2 4.22Å; V98-V102 WeakPolarHBondContact O-CB 3.35Å; V98-V102 VanDerWaalsContact O-CG2 3.22Å; V98-V102 WeakPolarHBondContact O-CG2 3.19Å; V98-V102 PolarHBondContact O-N 3.5Å; V102-K104 PolarHBondContact O-N 2.73Å; V102-V105 CarbonylContact O-C 3.59Å; V102-V105 PolarHBondContact O-N 3.18Å; V102-V105 VanDerWaalsContact O-N 3.15Å; V102-Y106 HydrophobicContact CG1-CD2 3.55Å; V102-Y106 HydrophobicContact CG1-CE2 4.05Å; V102-Y106 HydrophobicContact CG1-CG 4.33Å; V102-Y106 WeakPolarHBondContact O-CA 3.09Å; V102-Y106 WeakPolarHBondContact O-CB 3.45Å; V102-Y106 PolarHBondContact O-N 2.77Å |
| 103 | Y | 80.4 | Confident | 76.8 | Confident | 114 Ų | 114 | 102.6 Ų | 102.6 | 45% | 0.447 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.2 | -177.9 | -87.9 | 0 | 0 | 0 | 111.1 | F99 V105 Q107 | F99-Y103 HydrophobicContact CE1-CD2 4.2Å; F99-Y103 WeakPolarHBondContact O-CA 3.31Å; F99-Y103 WeakPolarHBondContact O-CB 3.32Å; F99-Y103 PolarHBondContact O-N 2.68Å; Y103-V105 VanDerWaalsContact C-N 3.29Å; Y103-V105 PolarHBondContact O-N 3.41Å; Y103-Q107 HydrophobicContact CD1-CB 4.31Å; Y103-Q107 HydrophobicContact CD2-CB 4.21Å; Y103-Q107 HydrophobicContact CD2-CG 3.58Å; Y103-Q107 HydrophobicContact CE1-CB 4.19Å; Y103-Q107 HydrophobicContact CE2-CB 4.09Å; Y103-Q107 HydrophobicContact CE2-CG 3.55Å; Y103-Q107 HydrophobicContact CG-CB 4.29Å; Y103-Q107 HydrophobicContact CG-CG 4.07Å; Y103-Q107 VanDerWaalsContact O-CA 3.23Å; Y103-Q107 WeakPolarHBondContact O-CA 3.02Å; Y103-Q107 WeakPolarHBondContact O-CB 3.23Å; Y103-Q107 PolarHBondContact O-N 3.25Å |
| 104 | K | 76.9 | Confident | 75 | Confident | 120 Ų | 120 | 104.7 Ų | 104.7 | 52% | 0.522 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -30.7 | 174.1 | -87.8 | -65.8 | -164.8 | 107.8 | 0 | 112.6 | L100 V101 V102 Y108 | L100-K104 WeakPolarHBondContact O-CA 3.2Å; L100-K104 WeakPolarHBondContact O-CB 3.38Å; L100-K104 VanDerWaalsContact O-CG 3.26Å; L100-K104 WeakPolarHBondContact O-CG 3.45Å; L100-K104 PolarHBondContact O-N 2.68Å; V101-K104 CarbonylContact O-C 3.53Å; V101-K104 PolarHBondContact O-N 3.19Å; V102-K104 PolarHBondContact O-N 2.73Å; K104-Y108 HydrophobicContact CD-CD2 3.69Å; K104-Y108 HydrophobicContact CD-CE2 3.42Å; K104-Y108 VanDerWaalsContact CD-CE2 3.42Å; K104-Y108 WeakPolarHBondContact O-CB 3.37Å; K104-Y108 WeakPolarHBondContact O-CD2 2.91Å; K104-Y108 PolarHBondContact O-N 3.17Å |
| 105 | V | 74 | Confident | 73.4 | Confident | 90 Ų | 90 | 101.6 Ų | 101.6 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -85.8 | -48.7 | -179.8 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | V101 V102 Y103 E109 | V101-V105 HydrophobicContact CG1-CG2 4.41Å; V101-V105 WeakPolarHBondContact O-CB 3.48Å; V101-V105 WeakPolarHBondContact O-CG2 3.08Å; V101-V105 PolarHBondContact O-N 2.84Å; V102-V105 CarbonylContact O-C 3.59Å; V102-V105 PolarHBondContact O-N 3.18Å; V102-V105 VanDerWaalsContact O-N 3.15Å; Y103-V105 VanDerWaalsContact C-N 3.29Å; Y103-V105 PolarHBondContact O-N 3.41Å; V105-E109 WeakPolarHBondContact O-CB 3.16Å; V105-E109 PolarHBondContact O-N 3.33Å; V105-E109 VanDerWaalsContact O-N 3.17Å |
| 106 | Y | 64.4 | Low | 71.7 | Confident | 170 Ų | 170 | 101.2 Ų | 101.2 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -77.1 | -27.4 | 179.5 | -86.5 | -93.5 | 0 | 0 | 0 | 114.6 | V102 E109 Q110 | V102-Y106 HydrophobicContact CG1-CD2 3.55Å; V102-Y106 HydrophobicContact CG1-CE2 4.05Å; V102-Y106 HydrophobicContact CG1-CG 4.33Å; V102-Y106 WeakPolarHBondContact O-CA 3.09Å; V102-Y106 WeakPolarHBondContact O-CB 3.45Å; V102-Y106 PolarHBondContact O-N 2.77Å; Y106-E109 CarbonylContact O-C 3.07Å; Y106-Q110 PolarHBondContact O-N 2.75Å |
| 107 | Q | 56.8 | Low | 70.2 | Confident | 68 Ų | 68 | 103.3 Ų | 103.3 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.7 | 175.9 | -59 | -101.2 | 98.8 | 0 | 0 | 112.9 | Y103 Q110 | Y103-Q107 HydrophobicContact CD1-CB 4.31Å; Y103-Q107 HydrophobicContact CD2-CB 4.21Å; Y103-Q107 HydrophobicContact CD2-CG 3.58Å; Y103-Q107 HydrophobicContact CE1-CB 4.19Å; Y103-Q107 HydrophobicContact CE2-CB 4.09Å; Y103-Q107 HydrophobicContact CE2-CG 3.55Å; Y103-Q107 HydrophobicContact CG-CB 4.29Å; Y103-Q107 HydrophobicContact CG-CG 4.07Å; Y103-Q107 VanDerWaalsContact O-CA 3.23Å; Y103-Q107 WeakPolarHBondContact O-CA 3.02Å; Y103-Q107 WeakPolarHBondContact O-CB 3.23Å; Y103-Q107 PolarHBondContact O-N 3.25Å; Q107-Q110 HydrophobicContact CB-CB 4.47Å; Q107-Q110 WeakPolarHBondContact O-CB 3.47Å; Q107-Q110 PolarHBondContact O-N 3.44Å; Q107-Q110 VanDerWaalsContact OE1-CG 3.24Å |
| 108 | Y | 53.3 | Low | 68.8 | Low | 153 Ų | 153 | 105.6 Ų | 105.6 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -33.3 | 154.2 | -96.6 | -108.1 | 0 | 0 | 0 | 111.5 | K104 Q110 | K104-Y108 HydrophobicContact CD-CD2 3.69Å; K104-Y108 HydrophobicContact CD-CE2 3.42Å; K104-Y108 VanDerWaalsContact CD-CE2 3.42Å; K104-Y108 WeakPolarHBondContact O-CB 3.37Å; K104-Y108 WeakPolarHBondContact O-CD2 2.91Å; K104-Y108 PolarHBondContact O-N 3.17Å; Y108-Q110 PolarHBondContact O-N 3.27Å |
| 109 | E | 52.7 | Low | 67.3 | Low | 141 Ų | 141 | 104.9 Ų | 104.9 | 66% | 0.659 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 41.7 | 161.2 | -72.3 | -72.3 | 142.4 | 0 | 0 | 109.4 | V105 Y106 P111 | V105-E109 WeakPolarHBondContact O-CB 3.16Å; V105-E109 PolarHBondContact O-N 3.33Å; V105-E109 VanDerWaalsContact O-N 3.17Å; Y106-E109 CarbonylContact O-C 3.07Å; E109-P111 VanDerWaalsContact C-N 3.33Å; E109-P111 WeakPolarHBondContact O-CD 3.06Å |
| 110 | Q | 55.5 | Low | 66 | Low | 111 Ų | 111 | 107.6 Ų | 107.6 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | trans | -63.5 | 105.8 | 168.7 | -161.4 | 165.7 | 5.4 | 0 | 0 | 104.7 | Y106 Q107 Y108 C112 | Y106-Q110 PolarHBondContact O-N 2.75Å; Q107-Q110 HydrophobicContact CB-CB 4.47Å; Q107-Q110 WeakPolarHBondContact O-CB 3.47Å; Q107-Q110 PolarHBondContact O-N 3.44Å; Q107-Q110 VanDerWaalsContact OE1-CG 3.24Å; Y108-Q110 PolarHBondContact O-N 3.27Å; Q110-C112 PolarHBondContact O-N 3.01Å | ||
| 111 | P | 59.4 | Low | 64.8 | Low | 105 Ų | 105 | 104.9 Ų | 104.9 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 119.8 | -170.5 | 27.3 | -29.4 | 0 | 0 | 0 | 103.8 | E109 | E109-P111 VanDerWaalsContact C-N 3.33Å; E109-P111 WeakPolarHBondContact O-CD 3.06Å |
| 112 | C | 53.4 | Low | 63.6 | Low | 16 Ų | 16 | 110 Ų | 110 | 11% | 0.108 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -47.5 | 133.7 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 107.5 | Q110 D114 F116 C123 | Q110-C112 PolarHBondContact O-N 3.01Å; C112-D114 PolarHBondContact O-N 3.48Å; C112-F116 HydrophobicContact CB-CB 3.4Å; C112-F116 WeakPolarHBondContact CB-O 3.33Å; C112-C123 HydrophobicContact CB-CB 3.79Å; C112-C123 WeakPolarHBondContact CB-SG 3.07Å; C112-C123 VanDerWaalsContact SG-CA 3.52Å; C112-C123 WeakPolarHBondContact SG-CB 3.2Å; C112-C123 CovalentContact SG-SG 2.05Å; C112-C123 PolarHBondContact SG-SG 3.19Å |
| 113 | P | 59.7 | Low | 62.6 | Low | 89 Ų | 89 | 110.1 Ų | 110.1 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -51 | 144 | -173.4 | 19.3 | -31.8 | 0 | 0 | 0 | 110.2 | G115 F116 | P113-G115 PolarHBondContact O-N 3.47Å; P113-F116 HydrophobicContact CG-CD2 4.06Å; P113-F116 HydrophobicContact CG-CE2 4.49Å; P113-F116 WeakPolarHBondContact O-CD2 3.39Å; P113-F116 PolarHBondContact O-N 3.03Å |
| 114 | D | 59.4 | Low | 61.6 | Low | 179 Ų | 179 | 109 Ų | 109 | 96% | 0.957 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.4 | 114.1 | -171.7 | -79.5 | -43.2 | 0 | 0 | 0 | 112.1 | C112 | C112-D114 PolarHBondContact O-N 3.48Š|
| 115 | G | 61 | Low | 60.8 | Low | 46 Ų | 46 | 106.6 Ų | 106.6 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | 7.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | P113 T126 | P113-G115 PolarHBondContact O-N 3.47Å; G115-T126 VanDerWaalsContact C-OG1 3.23Å; G115-T126 WeakPolarHBondContact O-CB 3.04Å; G115-T126 PolarHBondContact O-N 3.32Å; G115-T126 PolarHBondContact O-OG1 3.37Å |
| 116 | F | 59.7 | Low | 60.3 | Low | 91 Ų | 91 | 105.7 Ų | 105.7 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.6 | 172.3 | -70.8 | -106.6 | 0 | 0 | 0 | 110.2 | C112 P113 C123 M124 P125 | C112-F116 HydrophobicContact CB-CB 3.4Å; C112-F116 WeakPolarHBondContact CB-O 3.33Å; P113-F116 HydrophobicContact CG-CD2 4.06Å; P113-F116 HydrophobicContact CG-CE2 4.49Å; P113-F116 WeakPolarHBondContact O-CD2 3.39Å; P113-F116 PolarHBondContact O-N 3.03Å; F116-C123 HydrophobicContact CB-CB 4.47Å; F116-M124 CarbonylContact C-O 3.48Å; F116-M124 WeakPolarHBondContact CA-O 3.21Å; F116-M124 WeakPolarHBondContact CB-O 3.13Å; F116-P125 HydrophobicContact CD1-CB 3.86Å; F116-P125 HydrophobicContact CD1-CG 4.43Å; F116-P125 HydrophobicContact CE1-CB 3.53Å; F116-P125 HydrophobicContact CE1-CG 3.98Å; F116-P125 HydrophobicContact CG-CB 4.48Å; F116-P125 HydrophobicContact CZ-CB 3.91Å |
| 117 | M | 63.5 | Low | 59.8 | Low | 113 Ų | 113 | 101.1 Ų | 101.1 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 143.5 | 176.7 | -50.9 | -141.9 | -62.1 | 0 | 0 | 110.2 | V119 M124 T126 | M117-V119 HydrophobicContact CB-CG2 4.41Å; M117-V119 PolarHBondContact O-N 3.15Å; M117-M124 PolarHBondContact N-O 3.12Å; M117-M124 PolarHBondContact O-N 3.25Å; M117-M124 VanDerWaalsContact O-N 3.15Å; M117-T126 HydrophobicContact CG-CG2 4.35Å; M117-T126 WeakPolarHBondContact CG-OG1 3.48Å |
| 118 | Y | 64.5 | Low | 59.8 | Low | 134 Ų | 134 | 104.5 Ų | 104.5 | 53% | 0.525 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 99.1 | 176.5 | -167.7 | -97.8 | 0 | 0 | 0 | 109.6 | ||
| 119 | V | 62.8 | Low | 59.8 | Low | 78 Ų | 78 | 107 Ų | 107 | 47% | 0.473 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.6 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | M117 G121 R122 | M117-V119 HydrophobicContact CB-CG2 4.41Å; M117-V119 PolarHBondContact O-N 3.15Å; V119-G121 PolarHBondContact O-N 2.87Å; V119-R122 PolarHBondContact N-O 3.34Å; V119-R122 PolarHBondContact O-N 3.06Å; V119-R122 VanDerWaalsContact O-O 3.07Å |
| 120 | Q | 62.1 | Low | 60.1 | Low | 190 Ų | 190 | 102.9 Ų | 102.9 | 89% | 0.888 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.8 | 42.9 | 171.4 | -155.2 | 175.4 | 3.3 | 0 | 0 | 114.5 | R122 | Q120-R122 VanDerWaalsContact C-N 3.28Å; Q120-R122 PolarHBondContact O-N 3.01Å |
| 121 | G | 66.4 | Low | 59.8 | Low | 48 Ų | 48 | 108.3 Ų | 108.3 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 75.8 | 9.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V119 | V119-G121 PolarHBondContact O-N 2.87Š|
| 122 | R | 63.6 | Low | 58.8 | Low | 192 Ų | 192 | 114.1 Ų | 114.1 | 73% | 0.725 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135 | 144.5 | 176.3 | -60.1 | -175.7 | -178.5 | -172.4 | 0.5 | 110.1 | V119 Q120 M124 | V119-R122 PolarHBondContact N-O 3.34Å; V119-R122 PolarHBondContact O-N 3.06Å; V119-R122 VanDerWaalsContact O-O 3.07Å; Q120-R122 VanDerWaalsContact C-N 3.28Å; Q120-R122 PolarHBondContact O-N 3.01Å; R122-M124 PolarHBondContact O-N 2.05Å |
| 123 | C | 64.4 | Low | 58.3 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 43% | 0.432 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.7 | 171.7 | -73 | 0 | 0 | 0 | 0 | 109.9 | C112 F116 | C112-C123 HydrophobicContact CB-CB 3.79Å; C112-C123 WeakPolarHBondContact CB-SG 3.07Å; C112-C123 VanDerWaalsContact SG-CA 3.52Å; C112-C123 WeakPolarHBondContact SG-CB 3.2Å; C112-C123 CovalentContact SG-SG 2.05Å; C112-C123 PolarHBondContact SG-SG 3.19Å; F116-C123 HydrophobicContact CB-CB 4.47Å |
| 124 | M | 60 | Low | 57.8 | Low | 91 Ų | 91 | 120.8 Ų | 120.8 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.2 | 175.9 | -75.9 | -158.6 | 163.1 | 0 | 0 | 111.1 | F116 M117 R122 T126 | F116-M124 CarbonylContact C-O 3.48Å; F116-M124 WeakPolarHBondContact CA-O 3.21Å; F116-M124 WeakPolarHBondContact CB-O 3.13Å; M117-M124 PolarHBondContact N-O 3.12Å; M117-M124 PolarHBondContact O-N 3.25Å; M117-M124 VanDerWaalsContact O-N 3.15Å; R122-M124 PolarHBondContact O-N 2.05Å; M124-T126 PolarHBondContact O-N 3.48Å |
| 125 | P | 60.6 | Low | 57.8 | Low | 69 Ų | 69 | 116.1 Ų | 116.1 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.7 | -179.8 | 25.1 | -30.7 | 0 | 0 | 0 | 110.4 | F116 G127 M128 | F116-P125 HydrophobicContact CD1-CB 3.86Å; F116-P125 HydrophobicContact CD1-CG 4.43Å; F116-P125 HydrophobicContact CE1-CB 3.53Å; F116-P125 HydrophobicContact CE1-CG 3.98Å; F116-P125 HydrophobicContact CG-CB 4.48Å; F116-P125 HydrophobicContact CZ-CB 3.91Å; P125-G127 PolarHBondContact O-N 3.33Å; P125-M128 PolarHBondContact O-N 3.44Å |
| 126 | T | 62.3 | Low | 57.2 | Low | 72 Ų | 72 | 117.4 Ų | 117.4 | 44% | 0.442 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -58.9 | -6.5 | -178.2 | -61.9 | 0 | 0 | 0 | 0 | 113.9 | G115 M117 M124 M128 | G115-T126 VanDerWaalsContact C-OG1 3.23Å; G115-T126 WeakPolarHBondContact O-CB 3.04Å; G115-T126 PolarHBondContact O-N 3.32Å; G115-T126 PolarHBondContact O-OG1 3.37Å; M117-T126 HydrophobicContact CG-CG2 4.35Å; M117-T126 WeakPolarHBondContact CG-OG1 3.48Å; M124-T126 PolarHBondContact O-N 3.48Å; T126-M128 PolarHBondContact O-N 3.43Å |
| 127 | G | 55.8 | Low | 56.6 | Low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -79.3 | -3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P125 | P125-G127 PolarHBondContact O-N 3.33Š|
| 128 | M | 55.5 | Low | 56.2 | Low | 139 Ų | 139 | 123.3 Ų | 123.3 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -96.4 | -13.9 | -171.3 | -161.6 | 159.9 | 160.2 | 0 | 0 | 115.3 | P125 T126 | P125-M128 PolarHBondContact O-N 3.44Å; T126-M128 PolarHBondContact O-N 3.43Å |
| 129 | Y | 53 | Low | 55.8 | Low | 205 Ų | 205 | 127.2 Ų | 127.2 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -119.5 | 2.4 | -176.2 | -77.9 | -81 | 0 | 0 | 0 | 115.4 | ||
| 130 | G | 59.8 | Low | 55.4 | Low | 55 Ų | 55 | 130.1 Ų | 130.1 | 57% | 0.567 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -113.8 | 93.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 131 | Y | 48.4 | Very low | 54.9 | Low | 226 Ų | 226 | 130.3 Ų | 130.3 | 89% | 0.886 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 76.7 | 51.5 | 143.8 | -121.3 | -89.3 | 0 | 0 | 0 | 120 | ||
| 132 | Y | 39.4 | Very low | 54.5 | Low | 227 Ų | 227 | 133.7 Ų | 133.7 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | trans | -142 | 138 | 153.8 | -89.3 | -84.7 | 0 | 0 | 0 | 112.2 | ||||
| 133 | P | 41.5 | Very low | 54 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | trans | -74.9 | 166.5 | -171.1 | 33 | -34.1 | 0 | 0 | 0 | 112.2 | G135 | P133-G135 PolarHBondContact O-N 3.46Å; P133-G135 VanDerWaalsContact O-N 3.08Å | ||
| 134 | P | 49.5 | Very low | 53.6 | Low | 140 Ų | 140 | 133.6 Ų | 133.6 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -71.4 | 108 | -175.1 | 30.4 | -33.2 | 0 | 0 | 0 | 109.7 | ||
| 135 | G | 60.2 | Low | 53.2 | Low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | 157.7 | 105.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | P133 | P133-G135 PolarHBondContact O-N 3.46Å; P133-G135 VanDerWaalsContact O-N 3.08Å | ||
| 136 | G | 47.9 | Very low | 52.9 | Low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | 137.1 | 104.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 137 | R | 47.2 | Very low | 52.4 | Low | 250 Ų | 250 | 144.9 Ų | 144.9 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | 68.1 | 77.2 | 148.9 | -68.4 | 174.1 | 146.4 | 172 | -7.3 | 116.7 | R139 | R137-R139 PolarHBondContact O-N 2.8Š| ||
| 138 | G | 55.3 | Low | 52.1 | Low | 78 Ų | 78 | 147.5 Ų | 147.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -60 | 114.6 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 139 | R | 56.1 | Low | 51.9 | Low | 216 Ų | 216 | 148.3 Ų | 148.3 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -175 | -4.6 | 148 | -118.2 | 170.7 | 168.4 | 159 | -4.1 | 118.7 | R137 | R137-R139 PolarHBondContact O-N 2.8Š| ||
| 140 | L | 54.5 | Low | 51.6 | Low | 139 Ų | 139 | 141.5 Ų | 141.5 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -115 | -5.9 | -167.6 | -62.8 | 177.5 | 0 | 0 | 0 | 117.5 | ||
| 141 | F | 52 | Low | 51.1 | Low | 195 Ų | 195 | 147 Ų | 147 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -100.7 | 0.6 | -176.3 | -66.4 | -74.9 | 0 | 0 | 0 | 115.6 | ||
| 142 | T | 57.9 | Low | 51.1 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93.6 | -6.4 | 179.4 | 8.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 143 | I | 53.5 | Low | 51.4 | Low | 119 Ų | 119 | 139.8 Ų | 139.8 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -91.1 | -18.5 | -172.6 | -65.4 | 176.5 | 0 | 0 | 0 | 113.4 | ||
| 144 | I | 55.2 | Low | 51.6 | Low | 135 Ų | 135 | 141.2 Ų | 141.2 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -80.7 | -23.1 | -176.8 | -68.1 | 160.1 | 0 | 0 | 0 | 112.5 | ||
| 145 | N | 52.5 | Low | 51.5 | Low | 127 Ų | 127 | 140.7 Ų | 140.7 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -18.8 | 179.5 | -108.3 | -17.9 | 0 | 0 | 0 | 114.3 | ||
| 146 | H | 54.3 | Low | 50.8 | Low | 157 Ų | 157 | 147.7 Ų | 147.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -86.5 | -12 | -179.4 | -123.5 | -78.9 | 0 | 0 | 0 | 113.9 | ||
| 147 | Y | 49.8 | Very low | 51.1 | Low | 186 Ų | 186 | 149.4 Ų | 149.4 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -85.9 | -23.1 | -176.5 | -128 | -90.3 | 0 | 0 | 0 | 113.7 | ||
| 148 | N | 50.9 | Low | 50.6 | Low | 127 Ų | 127 | 144.2 Ų | 144.2 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -91.6 | -26.2 | -177.3 | -144.6 | -21 | 0 | 0 | 0 | 112.8 | ||
| 149 | M | 50.1 | Low | 50 | Low | 157 Ų | 157 | 145.4 Ų | 145.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -78.6 | -20.4 | 179.2 | -54.9 | -149.3 | 174.1 | 0 | 0 | 113.7 | ||
| 150 | A | 48.5 | Very low | 49.7 | Very low | 61 Ų | 61 | 139.9 Ų | 139.9 | 50% | 0.504 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -11.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 151 | K | 48.3 | Very low | 49.3 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -5.1 | -176.5 | -85 | -162.1 | 174.6 | -157.5 | 0 | 115.6 | ||
| 152 | Q | 47.8 | Very low | 48.9 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -97 | -3.6 | 176.7 | -78.9 | -170.5 | -15.2 | 0 | 0 | 115.1 | ||
| 153 | T | 45.4 | Very low | 48.5 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -106.7 | 0.6 | -179.3 | -141.8 | 0 | 0 | 0 | 0 | 116 | ||
| 154 | I | 47.5 | Very low | 48.3 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | -106.7 | 63.8 | 179.1 | -53 | 179.2 | 0 | 0 | 0 | 110 | ||||
| 155 | T | 46 | Very low | 48 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -97.6 | 80.3 | 153.7 | 40.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 156 | R | 46.7 | Very low | 47.7 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 176.9 | 131.7 | 138.9 | -101.6 | 176.5 | 172.9 | 178.9 | -1.4 | 111.5 | ||
| 157 | S | 52.6 | Low | 47.4 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 57.6 | 109.5 | 167.2 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 158 | V | 38.3 | Very low | 47.3 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | -157.9 | 120.3 | 63.8 | 172 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 159 | S | 41.6 | Very low | 47.1 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -86.2 | 177.6 | 150.2 | -47.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 160 | P | 50.6 | Low | 46.9 | Very low | 100 Ų | 100 | 140 Ų | 140 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | cis | -147.1 | 178.1 | 8.7 | 20.8 | 9.2 | 0 | 0 | 0 | 114.2 | ||||
| 161 | W | 45.1 | Very low | 46.9 | Very low | 216 Ų | 216 | 141.7 Ų | 141.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 91.6 | 21 | 159.4 | -53.8 | 106.3 | 0 | 0 | 0 | 123.8 | ||
| 162 | M | 44.6 | Very low | 47 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -125.6 | 16.1 | 176.6 | -88.6 | -156.5 | 72.9 | 0 | 0 | 118.6 | ||
| 163 | T | 48.7 | Very low | 47 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -114.9 | -1.7 | 166.9 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | M165 | T163-M165 PolarHBondContact O-N 2.9Š|
| 164 | V | 50.2 | Low | 47.2 | Very low | 110 Ų | 110 | 140 Ų | 140 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 41.9 | 175.1 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 165 | M | 47.5 | Very low | 47.4 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | -0.4 | 167.7 | -81.4 | -151 | 82.2 | 0 | 0 | 114.3 | T163 | T163-M165 PolarHBondContact O-N 2.9Š|
| 166 | S | 47.4 | Very low | 47.8 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -96.3 | -13.4 | 175 | 51.7 | 0 | 0 | 0 | 0 | 114 | ||
| 167 | E | 46.9 | Very low | 48.1 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.3 | -5.2 | -179.4 | -148.4 | 169.3 | 133.6 | 0 | 0 | 113.8 | T171 | E167-T171 PolarHBondContact O-OG1 3.08Å; E167-T171 VanDerWaalsContact O-OG1 3.12Å |
| 168 | E | 48.4 | Very low | 48 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -100.1 | -8.5 | 178.8 | -158.9 | 173.7 | 145.4 | 0 | 0 | 113.6 | ||
| 169 | K | 47.3 | Very low | 48.9 | Very low | 171 Ų | 171 | 138 Ų | 138 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -105.9 | 0.7 | 177.4 | -83.3 | -164.6 | 175.6 | -166.5 | 0 | 115.7 | ||
| 170 | V | 44.4 | Very low | 49.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.6 | -23 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 112 | ||
| 171 | T | 49.6 | Very low | 49.6 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 59% | 0.589 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -89.1 | -4.5 | -178.9 | 21.4 | 0 | 0 | 0 | 0 | 115.2 | E167 | E167-T171 PolarHBondContact O-OG1 3.08Å; E167-T171 VanDerWaalsContact O-OG1 3.12Å |
| 172 | Q | 50 | Low | 49.5 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -95.5 | -15.7 | 174.4 | -126 | 174.3 | 13 | 0 | 0 | 113.8 | ||
| 173 | Q | 47.2 | Very low | 49.7 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -93.1 | -11.9 | 179 | -164.6 | 169.4 | -9.4 | 0 | 0 | 113.4 | T177 | Q173-T177 PolarHBondContact O-OG1 3.25Š|
| 174 | E | 51.6 | Low | 49.8 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -90.5 | -19.9 | 179 | -157.2 | 172.9 | 159.6 | 0 | 0 | 113 | ||
| 175 | T | 50.4 | Low | 49.8 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -91.8 | -10.3 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 176 | E | 54 | Low | 49.9 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -96.7 | -13.5 | 176.2 | -72.9 | -169.4 | 152.7 | 0 | 0 | 114.1 | ||
| 177 | T | 53.1 | Low | 50.1 | Low | 89 Ų | 89 | 147.1 Ų | 147.1 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | S | Bend | trans | -93.5 | -6.7 | -179.3 | 44.9 | 0 | 0 | 0 | 0 | 114.4 | Q173 | Q173-T177 PolarHBondContact O-OG1 3.25Š|
| 178 | H | 51.9 | Low | 50.3 | Low | 163 Ų | 163 | 145.8 Ų | 145.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -91.2 | -2 | 171.9 | -89.1 | -91.6 | 0 | 0 | 0 | 114.5 | ||
| 179 | Q | 55.6 | Low | 50.4 | Low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -109.2 | 29 | 175.3 | -156.8 | 178.5 | -11.7 | 0 | 0 | 113.1 | ||
| 180 | K | 52.5 | Low | 50.6 | Low | 189 Ų | 189 | 143.2 Ų | 143.2 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -136 | 24.4 | 172.9 | -144.6 | -176.7 | -178.8 | -173.2 | 0 | 114.1 | ||
| 181 | L | 54.7 | Low | 51.2 | Low | 169 Ų | 169 | 146.4 Ų | 146.4 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -136.2 | 24.9 | 176.1 | -99.2 | 146.2 | 0 | 0 | 0 | 112.8 | ||||
| 182 | A | 43.3 | Very low | 51.3 | Low | 167 Ų | 167 | 151 Ų | 151 | 100% | 1.38 | 79% | 0.788 | S | S | * | * | trans | -115.5 | 0 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 182 of 182 residues in 351.2 ms
(Link to these results)