| 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 | 46.8 | Very low | 44.7 | Very low | 244 Ų | 244 | 165.5 Ų | 165.5 | 100% | 1.202 | 86% | 0.857 | S | S | * | * | 0 | 104.3 | 0 | -64.3 | 173.3 | -174.3 | 0 | 0 | 108.1 | |||||
| 2 | Y | 33.9 | Very low | 44.4 | Very low | 224 Ų | 224 | 165.3 Ų | 165.3 | 88% | 0.878 | 86% | 0.859 | S | S | * | * | trans | -90.1 | 132 | 175.3 | -109.1 | -104 | 0 | 0 | 0 | 109.1 | ||||
| 3 | R | 57.5 | Low | 45 | Very low | 231 Ų | 231 | 162.3 Ų | 162.3 | 87% | 0.872 | 86% | 0.856 | S | S | * | * | trans | -104 | 106.3 | 169.7 | -85.5 | -173.4 | 171.1 | -171.9 | -2.3 | 109.5 | ||||
| 4 | N | 45.3 | Very low | 44.6 | Very low | 136 Ų | 136 | 156.9 Ų | 156.9 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | trans | -105 | 120.2 | 161.9 | -78.2 | -53.5 | 0 | 0 | 0 | 108.4 | ||||
| 5 | F | 52.8 | Low | 44.1 | Very low | 194 Ų | 194 | 162.5 Ų | 162.5 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | trans | -142.3 | 134.9 | 155.4 | -66.3 | -82.5 | 0 | 0 | 0 | 104.8 | ||||
| 6 | G | 47.6 | Very low | 43.5 | Very low | 67 Ų | 67 | 157.3 Ų | 157.3 | 69% | 0.691 | 85% | 0.85 | S | S | * | * | cis | 143.1 | 90.7 | 13.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | Q8 | G6-Q8 PolarHBondContact O-N 3.11Š| ||
| 7 | S | 40.5 | Very low | 42.8 | Very low | 126 Ų | 126 | 152 Ų | 152 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | trans | -54.1 | 126 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | Q | 49.8 | Very low | 42.3 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -109.7 | 127 | 159.7 | -71.7 | -159.8 | 23.1 | 0 | 0 | 108.9 | G6 | G6-Q8 PolarHBondContact O-N 3.11Š| ||
| 9 | G | 39.9 | Very low | 42 | Very low | 63 Ų | 63 | 151.3 Ų | 151.3 | 65% | 0.649 | 83% | 0.834 | S | S | * | * | trans | -142.7 | 149.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | R | 40.6 | Very low | 41.7 | Very low | 263 Ų | 263 | 149.6 Ų | 149.6 | 99% | 0.992 | 83% | 0.832 | S | S | * | * | trans | 73.5 | 125.2 | 168.4 | -53.7 | -174.2 | -175.7 | -91.3 | 1.9 | 117.4 | ||||
| 11 | G | 36.9 | Very low | 41.2 | Very low | 74 Ų | 74 | 145.7 Ų | 145.7 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -179 | 72.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | N | 41.4 | Very low | 40.7 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 150.5 | 166.9 | -92.8 | 0.1 | 0 | 0 | 0 | 109.9 | ||||
| 13 | P | 52.3 | Low | 40.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -110.6 | 140.2 | 142.1 | 34.1 | -26.9 | 0 | 0 | 0 | 111 | ||||
| 14 | A | 38.4 | Very low | 39.4 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -137.3 | 120.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | Y | 37.9 | Very low | 38.9 | Very low | 241 Ų | 241 | 128.6 Ų | 128.6 | 95% | 0.945 | 80% | 0.804 | S | S | * | * | trans | -166 | 116.7 | 164 | -101 | -81.5 | 0 | 0 | 0 | 103 | ||||
| 16 | G | 34.9 | Very low | 38 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 96.5 | 127.6 | 60.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 17 | G | 30.5 | Very low | 37.4 | Very low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | 138.8 | 139.1 | 8.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 18 | N | 34.7 | Very low | 37 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | 74.5 | 150.2 | 172.6 | -66.9 | 4.9 | 0 | 0 | 0 | 117.5 | ||||
| 19 | L | 36.4 | Very low | 36 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | cis | -166.1 | 155.8 | -4.2 | -113.2 | 166.4 | 0 | 0 | 0 | 110.9 | ||||
| 20 | S | 35.3 | Very low | 35.6 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 53.1 | 149.3 | 158.7 | -58.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 21 | G | 31.1 | Very low | 35.2 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | cis | 160.4 | 175.4 | 9.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 22 | S | 36 | Very low | 34.9 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -167.2 | 149.1 | -9.2 | -73.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 23 | N | 31.8 | Very low | 34.7 | Very low | 155 Ų | 155 | 118.9 Ų | 118.9 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | 52 | 127.2 | 153.1 | -58.2 | -10.2 | 0 | 0 | 0 | 123.6 | ||||
| 24 | S | 32.7 | Very low | 33.8 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -176.2 | 124.8 | 128.5 | -77.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 25 | A | 35.2 | Very low | 34 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | 63.4 | 135 | 72.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 26 | S | 33.7 | Very low | 34 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -169.1 | 179.8 | -0.8 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | L | 35.3 | Very low | 34.6 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 74.2 | 140.8 | 168.3 | -45.2 | 172.3 | 0 | 0 | 0 | 116.5 | ||||
| 28 | G | 31.1 | Very low | 34.9 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | cis | 128.2 | 101.8 | -7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 29 | S | 29.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -162.5 | 153.7 | 156 | -162.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 30 | T | 31.7 | Very low | 35.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -95.6 | 167.8 | -162.4 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 31 | S | 32.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | 90.9 | 124 | 144 | 31.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 32 | M | 31.2 | Very low | 35.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | trans | 77.9 | 96.6 | 130.4 | -61 | -95.7 | 75.7 | 0 | 0 | 121.3 | ||||
| 33 | S | 36.8 | Very low | 36.5 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | 26 | 119.6 | 126.7 | 61 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 34 | T | 32.5 | Very low | 37 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | -145.8 | 157.6 | 130.3 | 39.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 35 | T | 42.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -86.6 | 136.4 | -175.1 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 36 | Q | 39.3 | Very low | 38 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -165.6 | 155.3 | 133.1 | -108.9 | 156.9 | 103.9 | 0 | 0 | 112.3 | ||||
| 37 | Q | 47.7 | Very low | 38.7 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -85.4 | 119.8 | -176.6 | -66.9 | 170.1 | -55 | 0 | 0 | 110.8 | ||||
| 38 | E | 36.4 | Very low | 39.6 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -136.8 | 131.7 | 149.8 | -96 | -168.7 | 99.1 | 0 | 0 | 109.8 | K40 | E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.41Å | ||
| 39 | Q | 41.5 | Very low | 40.9 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -77.3 | 82.7 | -179 | -73.3 | -177 | -21.6 | 0 | 0 | 109.9 | F41 | Q39-F41 PolarHBondContact O-N 3.15Š| ||
| 40 | K | 35.7 | Very low | 42.7 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -57.1 | 103.9 | 176.6 | -170.4 | 172.8 | -173 | 173 | 0 | 110.6 | E38 T42 | E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.41Å; K40-T42 PolarHBondContact O-N 3.19Å | ||
| 41 | F | 39.4 | Very low | 44.3 | Very low | 198 Ų | 198 | 143.1 Ų | 143.1 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -59.7 | 108.1 | 170.7 | -84.6 | -91.1 | 0 | 0 | 0 | 109.9 | Q39 M43 | Q39-F41 PolarHBondContact O-N 3.15Å; F41-M43 PolarHBondContact O-N 3.41Å; F41-M43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | T | 40.5 | Very low | 46.5 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -75.5 | 97.4 | 174.6 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | K40 A44 | K40-T42 PolarHBondContact O-N 3.19Å; T42-A44 PolarHBondContact O-N 3.07Å | ||
| 43 | M | 50.1 | Low | 48.4 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 98% | 0.98 | 77% | 0.768 | S | S | * | * | trans | -64.7 | 99.1 | 168.2 | 177.7 | 166.9 | 154.4 | 0 | 0 | 109.4 | F41 | F41-M43 PolarHBondContact O-N 3.41Å; F41-M43 VanDerWaalsContact O-N 3.09Å | ||
| 44 | A | 42.4 | Very low | 50.1 | Low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -140.9 | 126.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T42 | T42-A44 PolarHBondContact O-N 3.07Š| ||
| 45 | G | 39.3 | Very low | 51.8 | Low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | 72.6 | 126.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | S47 | G45-S47 PolarHBondContact O-N 3.04Š| ||
| 46 | S | 48.7 | Very low | 53.2 | Low | 138 Ų | 138 | 131.9 Ų | 131.9 | 97% | 0.965 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -74.4 | 57.8 | 169.6 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 47 | S | 49.4 | Very low | 54.5 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 53% | 0.531 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -147 | 100.6 | -179.3 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | G45 | G45-S47 PolarHBondContact O-N 3.04Š|
| 48 | H | 54.5 | Low | 55.8 | Low | 172 Ų | 172 | 122.4 Ų | 122.4 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | 61.8 | 76.4 | 158.9 | -35.8 | -62.2 | 0 | 0 | 0 | 116.8 | V50 | H48-V50 PolarHBondContact O-N 3.45Š| ||
| 49 | F | 57.7 | Low | 57.5 | Low | 194 Ų | 194 | 116.7 Ų | 116.7 | 85% | 0.851 | 66% | 0.655 | S | S | * | * | trans | -69.5 | 94.3 | 162.1 | -170.5 | -99.5 | 0 | 0 | 0 | 110 | P51 | F49-P51 HydrophobicContact CD1-CG 4.15Å; F49-P51 HydrophobicContact CE1-CB 4.46Å; F49-P51 HydrophobicContact CE1-CG 3.94Å | ||
| 50 | V | 66.4 | Low | 59.1 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | trans | -95.7 | 110.6 | 168.3 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | H48 S52 | H48-V50 PolarHBondContact O-N 3.45Å; V50-S52 PolarHBondContact O-N 2.87Å | ||
| 51 | P | 66.4 | Low | 61 | Low | 50 Ų | 50 | 112.4 Ų | 112.4 | 33% | 0.325 | 64% | 0.642 | S | S | . | * | trans | -60.5 | 130.6 | 177.5 | -19.5 | 31.1 | 0 | 0 | 0 | 109.9 | F49 I56 | F49-P51 HydrophobicContact CD1-CG 4.15Å; F49-P51 HydrophobicContact CE1-CB 4.46Å; F49-P51 HydrophobicContact CE1-CG 3.94Å; P51-I56 HydrophobicContact CB-CD1 4.07Å; P51-I56 HydrophobicContact CB-CG1 3.77Å | ||
| 52 | S | 78.3 | Confident | 62.8 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | trans | -65.8 | 146 | 175.9 | 69.4 | 0 | 0 | 0 | 0 | 109.9 | V50 N54 A55 I56 | V50-S52 PolarHBondContact O-N 2.87Å; S52-N54 PolarHBondContact O-N 3.39Å; S52-A55 WeakPolarHBondContact O-CB 3.4Å; S52-A55 PolarHBondContact O-N 2.89Å; S52-A55 PolarHBondContact OG-N 3.17Å; S52-I56 WeakPolarHBondContact O-CG1 3.29Å; S52-I56 PolarHBondContact O-N 3.31Å; S52-I56 VanDerWaalsContact O-N 3.16Å | ||
| 53 | L | 70.7 | Confident | 64.2 | Low | 130 Ų | 130 | 105 Ų | 105 | 68% | 0.681 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -52.4 | -33.2 | 178.6 | -84.4 | 164.7 | 0 | 0 | 0 | 112.6 | I56 T57 | L53-I56 PolarHBondContact O-N 3.19Å; L53-T57 WeakPolarHBondContact O-CG2 3.5Å; L53-T57 PolarHBondContact O-N 2.97Å |
| 54 | N | 71.9 | Confident | 65.4 | Low | 124 Ų | 124 | 104.8 Ų | 104.8 | 66% | 0.663 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65 | -41.3 | 175.1 | -70 | 8.6 | 0 | 0 | 0 | 112.5 | S52 I56 T57 T58 | S52-N54 PolarHBondContact O-N 3.39Å; N54-I56 VanDerWaalsContact C-N 3.32Å; N54-I56 PolarHBondContact O-N 3.06Å; N54-T57 WeakPolarHBondContact O-CG2 3.34Å; N54-T58 VanDerWaalsContact O-CG2 3.31Å; N54-T58 WeakPolarHBondContact O-CG2 3.46Å; N54-T58 PolarHBondContact O-N 3.15Å; N54-T58 PolarHBondContact O-OG1 2.91Å |
| 55 | A | 70.1 | Confident | 67.1 | Low | 43 Ų | 43 | 104.7 Ų | 104.7 | 36% | 0.355 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.9 | -29.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S52 | S52-A55 WeakPolarHBondContact O-CB 3.4Å; S52-A55 PolarHBondContact O-N 2.89Å; S52-A55 PolarHBondContact OG-N 3.17Å |
| 56 | I | 69.9 | Low | 68.6 | Low | 18 Ų | 18 | 104.4 Ų | 104.4 | 9% | 0.092 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -76 | -40 | 178.4 | -53 | 172.5 | 0 | 0 | 0 | 111 | P51 S52 L53 N54 L62 L65 V66 | P51-I56 HydrophobicContact CB-CD1 4.07Å; P51-I56 HydrophobicContact CB-CG1 3.77Å; S52-I56 WeakPolarHBondContact O-CG1 3.29Å; S52-I56 PolarHBondContact O-N 3.31Å; S52-I56 VanDerWaalsContact O-N 3.16Å; L53-I56 PolarHBondContact O-N 3.19Å; N54-I56 VanDerWaalsContact C-N 3.32Å; N54-I56 PolarHBondContact O-N 3.06Å; I56-L62 HydrophobicContact CG2-CB 4Å; I56-L62 WeakPolarHBondContact CG2-O 3.47Å; I56-L62 CarbonylContact O-C 3.53Å; I56-L65 HydrophobicContact CG2-CB 3.75Å; I56-V66 HydrophobicContact CB-CG2 4.2Å; I56-V66 HydrophobicContact CG2-CG2 3.48Å; I56-V66 VanDerWaalsContact CG2-CG2 3.48Å |
| 57 | T | 68.3 | Low | 69.3 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.6 | -31.8 | -177.6 | -167.8 | 0 | 0 | 0 | 0 | 113.7 | L53 N54 Q63 | L53-T57 WeakPolarHBondContact O-CG2 3.5Å; L53-T57 PolarHBondContact O-N 2.97Å; N54-T57 WeakPolarHBondContact O-CG2 3.34Å; T57-Q63 PolarHBondContact O-NE2 3.04Å; T57-Q63 VanDerWaalsContact O-NE2 3.16Å |
| 58 | T | 73.8 | Confident | 69.8 | Low | 117 Ų | 117 | 108 Ų | 108 | 72% | 0.718 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.4 | -16.4 | -179.3 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | N54 | N54-T58 VanDerWaalsContact O-CG2 3.31Å; N54-T58 WeakPolarHBondContact O-CG2 3.46Å; N54-T58 PolarHBondContact O-N 3.15Å; N54-T58 PolarHBondContact O-OG1 2.91Å |
| 59 | N | 72 | Confident | 69.7 | Low | 68 Ų | 68 | 104.3 Ų | 104.3 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -103.4 | 119.7 | 179 | -175.4 | -73.4 | 0 | 0 | 0 | 110.8 | D61 L62 Q63 | N59-D61 VanDerWaalsContact C-N 3.26Å; N59-D61 PolarHBondContact O-N 2.88Å; N59-D61 WeakPolarHBondContact OD1-CB 3.37Å; N59-D61 PolarHBondContact OD1-N 3.46Å; N59-L62 HydrophobicContact CB-CB 4.18Å; N59-L62 HydrophobicContact CB-CD1 4.03Å; N59-L62 HydrophobicContact CB-CG 4.08Å; N59-L62 PolarHBondContact O-N 2.82Å; N59-L62 PolarHBondContact OD1-N 3.28Å; N59-Q63 PolarHBondContact O-N 2.93Å |
| 60 | Q | 74.8 | Confident | 69.5 | Low | 162 Ų | 162 | 101.3 Ų | 101.3 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -35.9 | -175.4 | -171.3 | 168.3 | 44 | 0 | 0 | 113 | L62 | Q60-L62 VanDerWaalsContact C-N 3.28Å; Q60-L62 PolarHBondContact O-N 3.28Å |
| 61 | D | 76.3 | Confident | 68.3 | Low | 125 Ų | 125 | 103 Ų | 103 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -8.5 | 179.8 | -61 | -33.3 | 0 | 0 | 0 | 113.5 | N59 W64 | N59-D61 VanDerWaalsContact C-N 3.26Å; N59-D61 PolarHBondContact O-N 2.88Å; N59-D61 WeakPolarHBondContact OD1-CB 3.37Å; N59-D61 PolarHBondContact OD1-N 3.46Å; D61-W64 PolarHBondContact O-NE1 2.78Å |
| 62 | L | 76.9 | Confident | 67.3 | Low | 62 Ų | 62 | 107.8 Ų | 107.8 | 33% | 0.325 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.6 | -11.5 | 176.5 | -61.7 | -177.3 | 0 | 0 | 0 | 113.4 | I56 N59 Q60 W64 L65 | I56-L62 HydrophobicContact CG2-CB 4Å; I56-L62 WeakPolarHBondContact CG2-O 3.47Å; I56-L62 CarbonylContact O-C 3.53Å; N59-L62 HydrophobicContact CB-CB 4.18Å; N59-L62 HydrophobicContact CB-CD1 4.03Å; N59-L62 HydrophobicContact CB-CG 4.08Å; N59-L62 PolarHBondContact O-N 2.82Å; N59-L62 PolarHBondContact OD1-N 3.28Å; Q60-L62 VanDerWaalsContact C-N 3.28Å; Q60-L62 PolarHBondContact O-N 3.28Å; L62-W64 PolarHBondContact O-N 2.94Å; L62-L65 HydrophobicContact CD2-CD1 4.33Å; L62-L65 WeakPolarHBondContact O-CB 3.39Å; L62-L65 PolarHBondContact O-N 2.61Å |
| 63 | Q | 70.3 | Confident | 65.9 | Low | 104 Ų | 104 | 109.8 Ų | 109.8 | 49% | 0.486 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -56.8 | -25.9 | -179.6 | -71.6 | -175.5 | -2.2 | 0 | 0 | 113.5 | T57 N59 L65 V66 | T57-Q63 PolarHBondContact O-NE2 3.04Å; T57-Q63 VanDerWaalsContact O-NE2 3.16Å; N59-Q63 PolarHBondContact O-N 2.93Å; Q63-L65 VanDerWaalsContact C-N 3.26Å; Q63-L65 PolarHBondContact O-N 2.74Å; Q63-V66 PolarHBondContact O-N 2.8Å |
| 64 | W | 75.1 | Confident | 64.7 | Low | 195 Ų | 195 | 110.5 Ų | 110.5 | 74% | 0.739 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -67.5 | -19.2 | 175.7 | 68.8 | -94.1 | 0 | 0 | 0 | 114.4 | D61 L62 V66 | D61-W64 PolarHBondContact O-NE1 2.78Å; L62-W64 PolarHBondContact O-N 2.94Å; W64-V66 VanDerWaalsContact C-N 3.27Å |
| 65 | L | 77.9 | Confident | 63.5 | Low | 84 Ų | 84 | 107.1 Ų | 107.1 | 44% | 0.44 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -70.1 | -27.1 | 169.7 | -85.1 | 84.5 | 0 | 0 | 0 | 111.6 | I56 L62 Q63 Q67 | I56-L65 HydrophobicContact CG2-CB 3.75Å; L62-L65 HydrophobicContact CD2-CD1 4.33Å; L62-L65 WeakPolarHBondContact O-CB 3.39Å; L62-L65 PolarHBondContact O-N 2.61Å; Q63-L65 VanDerWaalsContact C-N 3.26Å; Q63-L65 PolarHBondContact O-N 2.74Å; L65-Q67 PolarHBondContact O-N 3.5Å |
| 66 | V | 71.9 | Confident | 62.4 | Low | 60 Ų | 60 | 111.4 Ų | 111.4 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -87.3 | 92.5 | 177.9 | -170.1 | 0 | 0 | 0 | 0 | 108.5 | I56 Q63 W64 P68 | I56-V66 HydrophobicContact CB-CG2 4.2Å; I56-V66 HydrophobicContact CG2-CG2 3.48Å; I56-V66 VanDerWaalsContact CG2-CG2 3.48Å; Q63-V66 PolarHBondContact O-N 2.8Å; W64-V66 VanDerWaalsContact C-N 3.27Å; V66-P68 WeakPolarHBondContact O-CD 3.5Å |
| 67 | Q | 63 | Low | 61 | Low | 173 Ų | 173 | 116.2 Ų | 116.2 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | trans | -69.3 | 116.3 | 166.1 | -71.5 | -167.9 | -4.1 | 0 | 0 | 109.3 | L65 S69 | L65-Q67 PolarHBondContact O-N 3.5Å; Q67-S69 PolarHBondContact O-N 3.09Å | ||
| 68 | P | 60.3 | Low | 60.1 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | trans | -68.3 | 103.4 | 174.3 | 28.1 | -33.1 | 0 | 0 | 0 | 108.7 | V66 L70 | V66-P68 WeakPolarHBondContact O-CD 3.5Å; P68-L70 PolarHBondContact O-N 3.02Å | ||
| 69 | S | 52.8 | Low | 58.7 | Low | 95 Ų | 95 | 122.8 Ų | 122.8 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | trans | -73.6 | 82.7 | 174.5 | -157.2 | 0 | 0 | 0 | 0 | 109.2 | Q67 M71 | Q67-S69 PolarHBondContact O-N 3.09Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.31Å; S69-M71 VanDerWaalsContact OG-CE 3.27Å; S69-M71 WeakPolarHBondContact OG-CE 3.32Å | ||
| 70 | L | 51.7 | Low | 57.6 | Low | 132 Ų | 132 | 126 Ų | 126 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | trans | -69.6 | 90.2 | 175.9 | -150.1 | 79.3 | 0 | 0 | 0 | 108.4 | P68 H72 | P68-L70 PolarHBondContact O-N 3.02Å; L70-H72 PolarHBondContact O-N 3.01Å; L70-H72 PolarHBondContact O-ND1 2.89Å | ||
| 71 | M | 41.3 | Very low | 56.7 | Low | 157 Ų | 157 | 123.9 Ų | 123.9 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | -59.8 | 99.9 | 173.5 | -74 | -70.8 | 108.4 | 0 | 0 | 109.2 | S69 | S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.31Å; S69-M71 VanDerWaalsContact OG-CE 3.27Å; S69-M71 WeakPolarHBondContact OG-CE 3.32Å | ||
| 72 | H | 45.4 | Very low | 55.4 | Low | 150 Ų | 150 | 122.5 Ų | 122.5 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | trans | -76.6 | 143.5 | 172.4 | -70.9 | 69.1 | 0 | 0 | 0 | 109.5 | L70 | L70-H72 PolarHBondContact O-N 3.01Å; L70-H72 PolarHBondContact O-ND1 2.89Å | ||
| 73 | P | 48.8 | Very low | 54.4 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | trans | -59.6 | 153 | 176.2 | -22.6 | 33.4 | 0 | 0 | 0 | 112.4 | G75 | P73-G75 PolarHBondContact O-N 3.21Š| ||
| 74 | P | 46.8 | Very low | 53.2 | Low | 145 Ų | 145 | 130.7 Ų | 130.7 | 94% | 0.942 | 73% | 0.727 | S | S | * | * | trans | -72.9 | 87.1 | -177 | 30.2 | -35.1 | 0 | 0 | 0 | 111.8 | ||||
| 75 | G | 45.3 | Very low | 52 | Low | 54 Ų | 54 | 126.9 Ų | 126.9 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | trans | -112.6 | 153.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | P73 S77 | P73-G75 PolarHBondContact O-N 3.21Å; G75-S77 PolarHBondContact O-N 2.88Å | ||
| 76 | P | 48.4 | Very low | 50.4 | Low | 133 Ų | 133 | 128.5 Ų | 128.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -67.7 | 118.8 | -173.8 | 26.7 | -33.9 | 0 | 0 | 0 | 112 | R78 | P76-R78 PolarHBondContact O-N 2.93Š| ||
| 77 | S | 40.7 | Very low | 49 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -53.4 | 122.4 | -177.2 | 179.2 | 0 | 0 | 0 | 0 | 113.8 | G75 | G75-S77 PolarHBondContact O-N 2.88Š| ||
| 78 | R | 48.5 | Very low | 48.3 | Very low | 243 Ų | 243 | 132 Ų | 132 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -125.7 | 118.2 | 152.7 | -78.4 | -174.6 | 171.2 | -115.6 | 1.2 | 108.6 | P76 | P76-R78 PolarHBondContact O-N 2.93Š| ||
| 79 | S | 45.3 | Very low | 47.4 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -64.9 | 142.7 | 172.7 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | V81 | S79-V81 PolarHBondContact O-N 3.44Š| ||
| 80 | P | 48.8 | Very low | 47.2 | Very low | 137 Ų | 137 | 130 Ų | 130 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -61.7 | 120.9 | 169.8 | -19.9 | 32.4 | 0 | 0 | 0 | 110.8 | ||||
| 81 | V | 56 | Low | 47.2 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | -108.1 | 140.6 | 172.9 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | S79 | S79-V81 PolarHBondContact O-N 3.44Š| ||
| 82 | P | 48.2 | Very low | 47.7 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 62% | 0.623 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 147.1 | 177.7 | -19.8 | 32.3 | 0 | 0 | 0 | 112.1 | Y84 | P82-Y84 PolarHBondContact O-N 3.33Š| ||
| 83 | P | 55 | Low | 48.2 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 111.8 | -178.9 | 30.9 | -33.2 | 0 | 0 | 0 | 111.1 | ||||
| 84 | Y | 45.2 | Very low | 48.5 | Very low | 209 Ų | 209 | 131.6 Ų | 131.6 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | -116.3 | 148.8 | 157.8 | -89 | -85.1 | 0 | 0 | 0 | 109.1 | P82 | P82-Y84 PolarHBondContact O-N 3.33Š| ||
| 85 | P | 51.5 | Low | 48.9 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 133.4 | -168.4 | 29.9 | -34.1 | 0 | 0 | 0 | 112.2 | I87 | P85-I87 PolarHBondContact O-N 3.47Š| ||
| 86 | S | 43.1 | Very low | 49.1 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 115.2 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 87 | I | 43.7 | Very low | 49 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -82.7 | 123.2 | 164 | -64.9 | -177.8 | 0 | 0 | 0 | 108.7 | P85 | P85-I87 PolarHBondContact O-N 3.47Š| ||
| 88 | V | 46.9 | Very low | 49.6 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 124.8 | 173.5 | 177 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 89 | G | 42.9 | Very low | 49.8 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -139.7 | 127 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 90 | A | 48 | Very low | 49.8 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 154.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 91 | R | 52.5 | Low | 50 | Low | 221 Ų | 221 | 131.3 Ų | 131.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 145.9 | 166.4 | -68.6 | 178 | 169.8 | -137 | 0.9 | 111.2 | ||
| 92 | P | 50.3 | Low | 49.9 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 137 | 142.8 | -5.4 | 25.1 | 0 | 0 | 0 | 110.4 | ||
| 93 | M | 57.2 | Low | 50.2 | Low | 172 Ų | 172 | 137 Ų | 137 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 135.7 | 168.4 | -68.5 | -82.5 | -77 | 0 | 0 | 109.2 | ||
| 94 | G | 53.4 | Low | 50.1 | Low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -152.5 | 147.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | P | 55 | Low | 50.3 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 152.8 | -171.5 | 32.3 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 96 | P | 51.2 | Low | 50.4 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 130.3 | -178.3 | 32.9 | -32.7 | 0 | 0 | 0 | 112.5 | ||
| 97 | P | 46.5 | Very low | 50.7 | Low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 136 | 152.3 | 31.9 | -29.8 | 0 | 0 | 0 | 110.1 | ||
| 98 | S | 52.5 | Low | 51.4 | Low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72 | 150.8 | -173.1 | -62.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 99 | Q | 52.8 | Low | 51.8 | Low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | 62.7 | 101.5 | 153.4 | -64 | 171.2 | 32.6 | 0 | 0 | 119.1 | ||||
| 100 | S | 44.6 | Very low | 52.1 | Low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -149.7 | 134.6 | 113.8 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 101 | H | 53.3 | Low | 52 | Low | 154 Ų | 154 | 139.7 Ų | 139.7 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -101.3 | 143.9 | -168.5 | -59.8 | -103 | 0 | 0 | 0 | 111.3 | ||||
| 102 | L | 54.1 | Low | 52.1 | Low | 168 Ų | 168 | 133.8 Ų | 133.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | 71.3 | 62.7 | 160.3 | -48.7 | -178.9 | 0 | 0 | 0 | 119.3 | ||||
| 103 | I | 55.4 | Low | 52.2 | Low | 164 Ų | 164 | 135 Ų | 135 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -128.2 | 96.5 | 146.3 | -54.1 | -179.8 | 0 | 0 | 0 | 109.5 | P105 | I103-P105 WeakPolarHBondContact O-CD 3.35Š| ||
| 104 | R | 52.4 | Low | 52.2 | Low | 221 Ų | 221 | 132.2 Ų | 132.2 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 118.5 | 164 | -88.5 | -170.8 | 173.9 | -168.8 | -0.2 | 108.9 | G106 | R104-G106 PolarHBondContact O-N 2.92Š| ||
| 105 | P | 48.7 | Very low | 52.3 | Low | 132 Ų | 132 | 133.4 Ų | 133.4 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 118.5 | 168.4 | -18.9 | 32.2 | 0 | 0 | 0 | 109.5 | I103 | I103-P105 WeakPolarHBondContact O-CD 3.35Š|
| 106 | G | 53.8 | Low | 52.2 | Low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.3 | -13.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | R104 | R104-G106 PolarHBondContact O-N 2.92Š|
| 107 | V | 50.5 | Low | 52.4 | Low | 121 Ų | 121 | 131 Ų | 131 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -99.8 | 102.9 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | R109 | V107-R109 PolarHBondContact O-N 3.46Å; V107-R109 VanDerWaalsContact O-N 3.1Å | ||
| 108 | I | 58.3 | Low | 52.8 | Low | 164 Ų | 164 | 130.8 Ų | 130.8 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 99.2 | 171.7 | -58.8 | 176.1 | 0 | 0 | 0 | 108.4 | A110 | I108-A110 PolarHBondContact O-N 3.36Š| ||
| 109 | R | 53.5 | Low | 53 | Low | 225 Ų | 225 | 136.8 Ų | 136.8 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | -66.6 | 123.1 | 162.3 | 176.6 | 179.8 | -89.2 | -174.4 | -6.8 | 107.8 | V107 A111 | V107-R109 PolarHBondContact O-N 3.46Å; V107-R109 VanDerWaalsContact O-N 3.1Å; R109-A111 VanDerWaalsContact C-N 3.31Å; R109-A111 PolarHBondContact O-N 3.25Å | ||
| 110 | A | 50.8 | Low | 53.1 | Low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -68.7 | 87.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I108 A112 | I108-A110 PolarHBondContact O-N 3.36Å; A110-A112 PolarHBondContact O-N 3.49Å | ||
| 111 | A | 45.7 | Very low | 53.4 | Low | 65 Ų | 65 | 141.7 Ų | 141.7 | 54% | 0.537 | 76% | 0.759 | S | S | . | * | trans | -77.1 | 103.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R109 N113 | R109-A111 VanDerWaalsContact C-N 3.31Å; R109-A111 PolarHBondContact O-N 3.25Å; A111-N113 PolarHBondContact O-N 3.3Å | ||
| 112 | A | 53.3 | Low | 53.3 | Low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -64 | -4.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A110 | A110-A112 PolarHBondContact O-N 3.49Š|
| 113 | N | 53.4 | Low | 53.4 | Low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -114 | 43.5 | -171.1 | -63.6 | 7.5 | 0 | 0 | 0 | 112.8 | A111 | A111-N113 PolarHBondContact O-N 3.3Š| ||
| 114 | T | 57.5 | Low | 53.5 | Low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -92.3 | 120.3 | 165.2 | 43.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 115 | P | 55.6 | Low | 53.6 | Low | 93 Ų | 93 | 131.8 Ų | 131.8 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | trans | -65.7 | 144.8 | -178.5 | 26.2 | -33.8 | 0 | 0 | 0 | 110.5 | S117 | P115-S117 PolarHBondContact O-N 3.13Š| ||
| 116 | P | 53.4 | Low | 54.2 | Low | 132 Ų | 132 | 127 Ų | 127 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 20.1 | -172.3 | 29.5 | -36.8 | 0 | 0 | 0 | 114.9 | ||
| 117 | S | 55.3 | Low | 55.3 | Low | 57 Ų | 57 | 126.8 Ų | 126.8 | 40% | 0.399 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.2 | 14.3 | -158.1 | -157.6 | 0 | 0 | 0 | 0 | 115.4 | P115 | P115-S117 PolarHBondContact O-N 3.13Š|
| 118 | T | 54 | Low | 56.7 | Low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -21.4 | 175 | 55.1 | 0 | 0 | 0 | 0 | 114 | ||
| 119 | R | 55.7 | Low | 57.8 | Low | 229 Ų | 229 | 127.8 Ų | 127.8 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -8.4 | 177.3 | -66.6 | -171.8 | -174.2 | 176.8 | 4.4 | 114.9 | ||
| 120 | R | 54.9 | Low | 59.4 | Low | 206 Ų | 206 | 121.8 Ų | 121.8 | 78% | 0.777 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -21.5 | -175.6 | -72.8 | -84.5 | -173.8 | 162.8 | 1.2 | 113.9 | ||
| 121 | R | 51 | Low | 61.2 | Low | 189 Ų | 189 | 120.3 Ų | 120.3 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -4 | -174.5 | -82.1 | -160.5 | 173.7 | -157.5 | 0 | 116.3 | ||
| 122 | N | 51.7 | Low | 63.3 | Low | 98 Ų | 98 | 120.7 Ų | 120.7 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.6 | 25.8 | 179.4 | -161.1 | -115.4 | 0 | 0 | 0 | 112.6 | L126 | N122-L126 WeakPolarHBondContact O-CD1 3.36Å; N122-L126 WeakPolarHBondContact O-CG 3.47Å |
| 123 | D | 56.1 | Low | 65.2 | Low | 61 Ų | 61 | 123.5 Ų | 123.5 | 33% | 0.326 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -104 | -15.7 | 171.6 | -73.3 | -1.6 | 0 | 0 | 0 | 111.9 | R134 | D123-R134 IonicContact OD1-CZ 3.65Å; D123-R134 IonicContact OD1-NH1 2.64Å; D123-R134 PolarHBondContact OD1-NH1 3.06Å; D123-R134 IonicContact OD1-NH2 3.78Å; D123-R134 IonicContact OD2-NH1 3.94Å |
| 124 | E | 57.1 | Low | 67.2 | Low | 170 Ų | 170 | 120.4 Ų | 120.4 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -89.7 | -8.2 | -176 | -65.9 | 171.7 | 160.1 | 0 | 0 | 114.3 | ||
| 125 | Q | 54.8 | Low | 69 | Low | 169 Ų | 169 | 122.4 Ų | 122.4 | 79% | 0.79 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -117 | 3.6 | 178.6 | -71.7 | -179.2 | -51.6 | 0 | 0 | 113.5 | ||
| 126 | L | 61.1 | Low | 70.9 | Confident | 32 Ų | 32 | 120.7 Ų | 120.7 | 17% | 0.168 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -79.7 | 130.9 | 175.2 | -60.7 | 176.7 | 0 | 0 | 0 | 109 | N122 E130 L131 | N122-L126 WeakPolarHBondContact O-CD1 3.36Å; N122-L126 WeakPolarHBondContact O-CG 3.47Å; L126-E130 HydrophobicContact CB-CB 4.46Å; L126-E130 HydrophobicContact CD2-CG 4.27Å; L126-L131 HydrophobicContact CB-CD2 3.94Å; L126-L131 HydrophobicContact CB-CG 3.95Å; L126-L131 HydrophobicContact CD1-CD2 3.83Å; L126-L131 HydrophobicContact CG-CD2 4.5Å |
| 127 | S | 76.9 | Confident | 73 | Confident | 71 Ų | 71 | 120.7 Ų | 120.7 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | trans | -53.5 | 147.3 | 170.8 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | E129 E130 L131 | S127-E129 PolarHBondContact O-N 2.88Å; S127-E129 VanDerWaalsContact O-N 3.1Å; S127-E129 PolarHBondContact OG-N 2.86Å; S127-E130 WeakPolarHBondContact O-CA 3.39Å; S127-E130 PolarHBondContact O-N 3.49Å; S127-L131 PolarHBondContact O-N 2.87Å | ||
| 128 | L | 80.8 | Confident | 75 | Confident | 148 Ų | 148 | 125.1 Ų | 125.1 | 78% | 0.775 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -51.9 | -35.2 | 175.8 | -69.2 | 173.3 | 0 | 0 | 0 | 111.9 | L131 E132 | L128-L131 PolarHBondContact O-N 3.28Å; L128-E132 PolarHBondContact O-N 3.13Å |
| 129 | E | 81.1 | Confident | 77.1 | Confident | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 174.6 | -171.4 | -177.8 | 177.2 | 0 | 0 | 112.8 | S127 E132 R133 | S127-E129 PolarHBondContact O-N 2.88Å; S127-E129 VanDerWaalsContact O-N 3.1Å; S127-E129 PolarHBondContact OG-N 2.86Å; E129-E132 PolarHBondContact O-N 3.39Å; E129-R133 WeakPolarHBondContact O-CB 3.5Å; E129-R133 PolarHBondContact O-N 2.98Å |
| 130 | E | 87.1 | Confident | 79.2 | Confident | 98 Ų | 98 | 122 Ų | 122 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.2 | -35 | 179.2 | -175.1 | 159 | -148.4 | 0 | 0 | 112.1 | L126 S127 R133 R134 | L126-E130 HydrophobicContact CB-CB 4.46Å; L126-E130 HydrophobicContact CD2-CG 4.27Å; S127-E130 WeakPolarHBondContact O-CA 3.39Å; S127-E130 PolarHBondContact O-N 3.49Å; E130-R133 PolarHBondContact O-N 3.16Å; E130-R134 WeakPolarHBondContact O-CB 3.5Å; E130-R134 PolarHBondContact O-N 3Å |
| 131 | L | 87.9 | Confident | 81.2 | Confident | 66 Ų | 66 | 117.6 Ų | 117.6 | 35% | 0.346 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 170.2 | -71 | 175.6 | 0 | 0 | 0 | 111.4 | L126 S127 L128 R134 R135 | L126-L131 HydrophobicContact CB-CD2 3.94Å; L126-L131 HydrophobicContact CB-CG 3.95Å; L126-L131 HydrophobicContact CD1-CD2 3.83Å; L126-L131 HydrophobicContact CG-CD2 4.5Å; S127-L131 PolarHBondContact O-N 2.87Å; L128-L131 PolarHBondContact O-N 3.28Å; L131-R134 WeakPolarHBondContact O-CB 3.4Å; L131-R134 PolarHBondContact O-N 3.01Å; L131-R135 PolarHBondContact O-N 3.36Å |
| 132 | E | 90.8 | Very high | 83.5 | Confident | 74 Ų | 74 | 115.8 Ų | 115.8 | 35% | 0.346 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 177.9 | -169.8 | 51.2 | -131.5 | 0 | 0 | 111.3 | L128 E129 R134 R135 I136 | L128-E132 PolarHBondContact O-N 3.13Å; E129-E132 PolarHBondContact O-N 3.39Å; E132-R134 PolarHBondContact O-N 3.41Å; E132-R135 WeakPolarHBondContact O-CB 3.18Å; E132-R135 PolarHBondContact O-N 2.97Å; E132-R135 WeakPolarHBondContact OE1-CD 3.38Å; E132-R135 IonicContact OE1-NH1 2.74Å; E132-R135 WeakPolarHBondContact OE2-CD 3.46Å; E132-R135 IonicContact OE2-CZ 3.71Å; E132-R135 IonicContact OE2-NH1 2.61Å; E132-R135 PolarHBondContact OE2-NH1 3.43Å; E132-I136 HydrophobicContact CG-CD1 4.25Å; E132-I136 WeakPolarHBondContact O-CG1 3.23Å; E132-I136 PolarHBondContact O-N 3.24Å |
| 133 | R | 93.5 | Very high | 85.7 | Confident | 155 Ų | 155 | 117 Ų | 117 | 59% | 0.585 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.1 | -34.6 | 171.5 | -166.5 | -179.4 | -174.8 | -176.7 | 5.6 | 112.3 | E129 E130 R137 | E129-R133 WeakPolarHBondContact O-CB 3.5Å; E129-R133 PolarHBondContact O-N 2.98Å; E130-R133 PolarHBondContact O-N 3.16Å; R133-R137 WeakPolarHBondContact O-CG 3.43Å; R133-R137 PolarHBondContact O-N 2.94Å |
| 134 | R | 94.3 | Very high | 87.7 | Confident | 87 Ų | 87 | 116.7 Ų | 116.7 | 33% | 0.328 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.8 | -37.1 | 175.7 | -166.7 | 174.8 | -175.2 | -159.6 | 0.4 | 112.3 | D123 E130 L131 E132 R137 R138 | D123-R134 IonicContact OD1-CZ 3.65Å; D123-R134 IonicContact OD1-NH1 2.64Å; D123-R134 PolarHBondContact OD1-NH1 3.06Å; D123-R134 IonicContact OD1-NH2 3.78Å; D123-R134 IonicContact OD2-NH1 3.94Å; E130-R134 WeakPolarHBondContact O-CB 3.5Å; E130-R134 PolarHBondContact O-N 3Å; L131-R134 WeakPolarHBondContact O-CB 3.4Å; L131-R134 PolarHBondContact O-N 3.01Å; E132-R134 PolarHBondContact O-N 3.41Å; R134-R137 PolarHBondContact O-N 3.43Å; R134-R138 WeakPolarHBondContact O-CG 3.38Å; R134-R138 PolarHBondContact O-N 2.92Å |
| 135 | R | 95.1 | Very high | 89.7 | Confident | 156 Ų | 156 | 110.5 Ų | 110.5 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -52.1 | 172.4 | -174.6 | -169.8 | -177.8 | -180 | 0.1 | 111 | L131 E132 R137 R138 E139 | L131-R135 PolarHBondContact O-N 3.36Å; E132-R135 WeakPolarHBondContact O-CB 3.18Å; E132-R135 PolarHBondContact O-N 2.97Å; E132-R135 WeakPolarHBondContact OE1-CD 3.38Å; E132-R135 IonicContact OE1-NH1 2.74Å; E132-R135 WeakPolarHBondContact OE2-CD 3.46Å; E132-R135 IonicContact OE2-CZ 3.71Å; E132-R135 IonicContact OE2-NH1 2.61Å; E132-R135 PolarHBondContact OE2-NH1 3.43Å; R135-R137 VanDerWaalsContact C-N 3.28Å; R135-R137 PolarHBondContact O-N 2.81Å; R135-R138 CarbonylContact O-C 3.59Å; R135-R138 WeakPolarHBondContact O-CA 3.28Å; R135-R138 WeakPolarHBondContact O-CB 3.42Å; R135-R138 PolarHBondContact O-N 3.24Å; R135-E139 PolarHBondContact O-N 3.16Å |
| 136 | I | 96.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 104.7 Ų | 104.7 | 29% | 0.292 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 178.1 | -63.8 | 165.8 | 0 | 0 | 0 | 111.3 | E132 E139 R140 | E132-I136 HydrophobicContact CG-CD1 4.25Å; E132-I136 WeakPolarHBondContact O-CG1 3.23Å; E132-I136 PolarHBondContact O-N 3.24Å; I136-E139 PolarHBondContact O-N 2.87Å; I136-R140 WeakPolarHBondContact O-CB 3.34Å; I136-R140 WeakPolarHBondContact O-CG 3.48Å; I136-R140 PolarHBondContact O-N 2.77Å |
| 137 | R | 97.6 | Very high | 93.6 | Very high | 132 Ų | 132 | 110.9 Ų | 110.9 | 50% | 0.498 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 173.6 | -76.1 | -179 | -177.7 | 125 | -13.1 | 112.5 | R133 R134 R135 E139 N141 | R133-R137 WeakPolarHBondContact O-CG 3.43Å; R133-R137 PolarHBondContact O-N 2.94Å; R134-R137 PolarHBondContact O-N 3.43Å; R135-R137 VanDerWaalsContact C-N 3.28Å; R135-R137 PolarHBondContact O-N 2.81Å; R137-E139 VanDerWaalsContact C-N 3.33Å; R137-N141 WeakPolarHBondContact O-CB 3.44Å; R137-N141 PolarHBondContact O-N 2.97Å |
| 138 | R | 97.9 | Very high | 94.6 | Very high | 149 Ų | 149 | 111.8 Ų | 111.8 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 176.5 | -73.5 | 175.2 | 178.3 | 172.5 | 1.9 | 111.5 | R134 R135 N141 K142 | R134-R138 WeakPolarHBondContact O-CG 3.38Å; R134-R138 PolarHBondContact O-N 2.92Å; R135-R138 CarbonylContact O-C 3.59Å; R135-R138 WeakPolarHBondContact O-CA 3.28Å; R135-R138 WeakPolarHBondContact O-CB 3.42Å; R135-R138 PolarHBondContact O-N 3.24Å; R138-N141 PolarHBondContact O-N 3.46Å; R138-K142 WeakPolarHBondContact O-CB 3.27Å; R138-K142 PolarHBondContact O-N 2.89Å |
| 139 | E | 97.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 113.2 Ų | 113.2 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -48.3 | 177.8 | -176.9 | 162.6 | -139.6 | 0 | 0 | 112.3 | R135 I136 R137 N141 K142 M143 | R135-E139 PolarHBondContact O-N 3.16Å; I136-E139 PolarHBondContact O-N 2.87Å; R137-E139 VanDerWaalsContact C-N 3.33Å; E139-N141 VanDerWaalsContact C-N 3.26Å; E139-N141 PolarHBondContact O-N 3.04Å; E139-K142 WeakPolarHBondContact O-CB 3.37Å; E139-K142 PolarHBondContact O-N 3.33Å; E139-K142 VanDerWaalsContact O-N 3.12Å; E139-M143 WeakPolarHBondContact O-CG 3.42Å; E139-M143 PolarHBondContact O-N 3.38Å |
| 140 | R | 98.6 | Very high | 96.3 | Very high | 176 Ų | 176 | 108.8 Ų | 108.8 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.6 | -41.1 | 172 | -72 | 175.8 | -175.1 | 147.3 | 3.7 | 111.8 | I136 M143 A144 | I136-R140 WeakPolarHBondContact O-CB 3.34Å; I136-R140 WeakPolarHBondContact O-CG 3.48Å; I136-R140 PolarHBondContact O-N 2.77Å; R140-M143 PolarHBondContact O-N 2.89Å; R140-A144 WeakPolarHBondContact O-CB 3.46Å; R140-A144 PolarHBondContact O-N 2.88Å |
| 141 | N | 98.3 | Very high | 96.9 | Very high | 113 Ų | 113 | 113.3 Ų | 113.3 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.5 | -40 | 175.8 | -175.7 | -101 | 0 | 0 | 0 | 112.7 | R137 R138 E139 M143 A144 A145 | R137-N141 WeakPolarHBondContact O-CB 3.44Å; R137-N141 PolarHBondContact O-N 2.97Å; R138-N141 PolarHBondContact O-N 3.46Å; E139-N141 VanDerWaalsContact C-N 3.26Å; E139-N141 PolarHBondContact O-N 3.04Å; N141-M143 PolarHBondContact O-N 3.47Å; N141-A144 PolarHBondContact O-N 3.17Å; N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.45Å; N141-A145 PolarHBondContact O-N 2.92Å |
| 142 | K | 98.6 | Very high | 97.4 | Very high | 150 Ų | 150 | 119.4 Ų | 119.4 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58 | -47 | 173.2 | -179.2 | -174.2 | 176.8 | -171.7 | 0 | 110.9 | R138 E139 A145 A146 | R138-K142 WeakPolarHBondContact O-CB 3.27Å; R138-K142 PolarHBondContact O-N 2.89Å; E139-K142 WeakPolarHBondContact O-CB 3.37Å; E139-K142 PolarHBondContact O-N 3.33Å; E139-K142 VanDerWaalsContact O-N 3.12Å; K142-A145 PolarHBondContact O-N 3.19Å; K142-A146 WeakPolarHBondContact O-CB 3.29Å; K142-A146 PolarHBondContact O-N 3.49Å |
| 143 | M | 98.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 122.1 Ų | 122.1 | 61% | 0.606 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.9 | -41 | 177.3 | -63 | -53.1 | -73 | 0 | 0 | 112.2 | E139 R140 N141 A146 K147 | E139-M143 WeakPolarHBondContact O-CG 3.42Å; E139-M143 PolarHBondContact O-N 3.38Å; R140-M143 PolarHBondContact O-N 2.89Å; N141-M143 PolarHBondContact O-N 3.47Å; M143-A146 PolarHBondContact O-N 3.36Å; M143-K147 WeakPolarHBondContact O-CB 3.43Å; M143-K147 PolarHBondContact O-N 3.2Å |
| 144 | A | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 119.6 Ų | 119.6 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R140 N141 K147 C148 | R140-A144 WeakPolarHBondContact O-CB 3.46Å; R140-A144 PolarHBondContact O-N 2.88Å; N141-A144 PolarHBondContact O-N 3.17Å; A144-K147 PolarHBondContact O-N 3.38Å; A144-C148 VanDerWaalsContact O-CB 3.3Å; A144-C148 WeakPolarHBondContact O-CB 3.23Å; A144-C148 PolarHBondContact O-N 3.34Å |
| 145 | A | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 120.4 Ų | 120.4 | 32% | 0.322 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N141 K142 C148 R149 | N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.45Å; N141-A145 PolarHBondContact O-N 2.92Å; K142-A145 PolarHBondContact O-N 3.19Å; A145-C148 PolarHBondContact O-N 2.85Å; A145-R149 WeakPolarHBondContact O-CG 3.48Å; A145-R149 PolarHBondContact O-N 3.3Å |
| 146 | A | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 116.8 Ų | 116.8 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K142 M143 C148 R149 N150 | K142-A146 WeakPolarHBondContact O-CB 3.29Å; K142-A146 PolarHBondContact O-N 3.49Å; M143-A146 PolarHBondContact O-N 3.36Å; A146-C148 PolarHBondContact O-N 3.04Å; A146-R149 PolarHBondContact O-N 2.94Å; A146-N150 PolarHBondContact O-N 3.46Å |
| 147 | K | 98.8 | Very high | 98.5 | Very high | 162 Ų | 162 | 118.3 Ų | 118.3 | 70% | 0.704 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -38.6 | 176.8 | -172.9 | 171 | -176.3 | 172.3 | 0 | 112.6 | M143 A144 N150 R151 | M143-K147 WeakPolarHBondContact O-CB 3.43Å; M143-K147 PolarHBondContact O-N 3.2Å; A144-K147 PolarHBondContact O-N 3.38Å; K147-N150 PolarHBondContact O-N 2.95Å; K147-R151 WeakPolarHBondContact O-CB 3.46Å; K147-R151 PolarHBondContact O-N 2.91Å |
| 148 | C | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 115.3 Ų | 115.3 | 60% | 0.601 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | A144 A145 A146 R152 | A144-C148 VanDerWaalsContact O-CB 3.3Å; A144-C148 WeakPolarHBondContact O-CB 3.23Å; A144-C148 PolarHBondContact O-N 3.34Å; A145-C148 PolarHBondContact O-N 2.85Å; A146-C148 PolarHBondContact O-N 3.04Å; C148-R152 PolarHBondContact O-N 2.85Å; C148-R152 VanDerWaalsContact O-N 3.13Å |
| 149 | R | 98.8 | Very high | 98.6 | Very high | 178 Ų | 178 | 112.6 Ų | 112.6 | 67% | 0.672 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 173.3 | -70.8 | 170.8 | 179.2 | 177.5 | -1.8 | 112.2 | A145 A146 R152 R153 | A145-R149 WeakPolarHBondContact O-CG 3.48Å; A145-R149 PolarHBondContact O-N 3.3Å; A146-R149 PolarHBondContact O-N 2.94Å; R149-R152 PolarHBondContact O-N 2.97Å; R149-R153 PolarHBondContact O-N 2.93Å; R149-R153 VanDerWaalsContact O-N 3.09Å |
| 150 | N | 98.6 | Very high | 98.7 | Very high | 66 Ų | 66 | 112.1 Ų | 112.1 | 35% | 0.353 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -51.6 | 178 | -138.1 | 58.6 | 0 | 0 | 0 | 111.2 | A146 K147 R152 R153 E154 | A146-N150 PolarHBondContact O-N 3.46Å; K147-N150 PolarHBondContact O-N 2.95Å; N150-R152 PolarHBondContact O-N 3.04Å; N150-R153 CarbonylContact O-C 3.59Å; N150-R153 WeakPolarHBondContact O-CA 3.16Å; N150-R153 WeakPolarHBondContact O-CB 3.46Å; N150-R153 PolarHBondContact O-N 2.98Å; N150-R153 PolarHBondContact OD1-NH2 2.94Å; N150-E154 PolarHBondContact ND2-OE1 3.48Å; N150-E154 WeakPolarHBondContact O-CG 3.42Å; N150-E154 PolarHBondContact O-N 3.04Å |
| 151 | R | 98.8 | Very high | 98.7 | Very high | 193 Ų | 193 | 108.9 Ų | 108.9 | 73% | 0.728 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.7 | -33.9 | 177.8 | -170.9 | -179.2 | -179.2 | -154.9 | -1.3 | 112.9 | K147 E154 L155 | K147-R151 WeakPolarHBondContact O-CB 3.46Å; K147-R151 PolarHBondContact O-N 2.91Å; R151-E154 WeakPolarHBondContact CA-OE2 3.31Å; R151-L155 WeakPolarHBondContact O-CB 3.43Å; R151-L155 PolarHBondContact O-N 2.75Å; R151-L155 VanDerWaalsContact O-N 3.11Å |
| 152 | R | 98.8 | Very high | 98.7 | Very high | 194 Ų | 194 | 108.4 Ų | 108.4 | 73% | 0.732 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.6 | -41.2 | 174.6 | -173.2 | 176.3 | 177.1 | -171.1 | -2 | 112.1 | C148 R149 N150 T156 | C148-R152 PolarHBondContact O-N 2.85Å; C148-R152 VanDerWaalsContact O-N 3.13Å; R149-R152 PolarHBondContact O-N 2.97Å; N150-R152 PolarHBondContact O-N 3.04Å; R152-T156 PolarHBondContact O-N 3Å; R152-T156 PolarHBondContact O-OG1 3.41Å |
| 153 | R | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 49% | 0.494 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -54.2 | 173.1 | -73.5 | -172.4 | -63.1 | -112.9 | 1.9 | 111.3 | R149 N150 L155 T156 D157 | R149-R153 PolarHBondContact O-N 2.93Å; R149-R153 VanDerWaalsContact O-N 3.09Å; N150-R153 CarbonylContact O-C 3.59Å; N150-R153 WeakPolarHBondContact O-CA 3.16Å; N150-R153 WeakPolarHBondContact O-CB 3.46Å; N150-R153 PolarHBondContact O-N 2.98Å; N150-R153 PolarHBondContact OD1-NH2 2.94Å; R153-L155 PolarHBondContact O-N 3.02Å; R153-L155 VanDerWaalsContact O-N 3.08Å; R153-T156 CarbonylContact O-C 3.57Å; R153-T156 WeakPolarHBondContact O-CA 3.41Å; R153-T156 WeakPolarHBondContact O-CB 3.48Å; R153-T156 PolarHBondContact O-N 3.47Å; R153-D157 PolarHBondContact O-N 3.32Å |
| 154 | E | 98.7 | Very high | 98.7 | Very high | 102 Ų | 102 | 102.2 Ų | 102.2 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -48.7 | -40.7 | 176.8 | -69.6 | 161.7 | -169.2 | 0 | 0 | 112.3 | N150 R151 S158 | N150-E154 PolarHBondContact ND2-OE1 3.48Å; N150-E154 WeakPolarHBondContact O-CG 3.42Å; N150-E154 PolarHBondContact O-N 3.04Å; R151-E154 WeakPolarHBondContact CA-OE2 3.31Å; E154-S158 WeakPolarHBondContact O-CB 3.28Å; E154-S158 PolarHBondContact O-N 3.33Å |
| 155 | L | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 174.7 | 178.5 | 62.1 | 0 | 0 | 0 | 112.7 | R151 R153 S158 L159 | R151-L155 WeakPolarHBondContact O-CB 3.43Å; R151-L155 PolarHBondContact O-N 2.75Å; R151-L155 VanDerWaalsContact O-N 3.11Å; R153-L155 PolarHBondContact O-N 3.02Å; R153-L155 VanDerWaalsContact O-N 3.08Å; L155-S158 PolarHBondContact O-N 3.27Å; L155-L159 HydrophobicContact CD1-CD1 4.01Å; L155-L159 HydrophobicContact CD1-CG 4.25Å; L155-L159 HydrophobicContact CG-CD1 4.09Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 3.02Å |
| 156 | T | 98.7 | Very high | 98.8 | Very high | 81 Ų | 81 | 108 Ų | 108 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 176 | -64 | 0 | 0 | 0 | 0 | 111.5 | R152 R153 S158 L159 Q160 | R152-T156 PolarHBondContact O-N 3Å; R152-T156 PolarHBondContact O-OG1 3.41Å; R153-T156 CarbonylContact O-C 3.57Å; R153-T156 WeakPolarHBondContact O-CA 3.41Å; R153-T156 WeakPolarHBondContact O-CB 3.48Å; R153-T156 PolarHBondContact O-N 3.47Å; T156-S158 VanDerWaalsContact C-N 3.34Å; T156-S158 PolarHBondContact O-N 3.23Å; T156-L159 PolarHBondContact O-N 3.27Å; T156-Q160 WeakPolarHBondContact O-CB 3.26Å; T156-Q160 PolarHBondContact O-N 3.03Å |
| 157 | D | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 111.8 Ų | 111.8 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 179.1 | -53.3 | -23.5 | 0 | 0 | 0 | 110.6 | R153 N161 | R153-D157 PolarHBondContact O-N 3.32Å; D157-N161 WeakPolarHBondContact O-CB 3.47Å; D157-N161 PolarHBondContact O-N 2.87Å; D157-N161 PolarHBondContact O-OD1 3.08Å |
| 158 | S | 98.8 | Very high | 98.8 | Very high | 69 Ų | 69 | 105.7 Ų | 105.7 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.1 | -172 | 0 | 0 | 0 | 0 | 112.7 | E154 L155 T156 N161 E162 | E154-S158 WeakPolarHBondContact O-CB 3.28Å; E154-S158 PolarHBondContact O-N 3.33Å; L155-S158 PolarHBondContact O-N 3.27Å; T156-S158 VanDerWaalsContact C-N 3.34Å; T156-S158 PolarHBondContact O-N 3.23Å; S158-N161 PolarHBondContact O-N 3.42Å; S158-E162 WeakPolarHBondContact O-CB 3.36Å; S158-E162 PolarHBondContact O-N 2.77Å |
| 159 | L | 98.9 | Very high | 98.8 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.4 | -34.4 | 178.9 | -70.3 | 169.8 | 0 | 0 | 0 | 112 | L155 T156 T163 | L155-L159 HydrophobicContact CD1-CD1 4.01Å; L155-L159 HydrophobicContact CD1-CG 4.25Å; L155-L159 HydrophobicContact CG-CD1 4.09Å; L155-L159 WeakPolarHBondContact O-CB 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 3.02Å; T156-L159 PolarHBondContact O-N 3.27Å; L159-T163 WeakPolarHBondContact O-CB 3.17Å; L159-T163 PolarHBondContact O-N 3.47Å; L159-T163 PolarHBondContact O-OG1 3.17Å |
| 160 | Q | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 102.4 Ų | 102.4 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -50.1 | 172.2 | -171.2 | 63.1 | 56.9 | 0 | 0 | 110.6 | T156 E162 T163 D164 | T156-Q160 WeakPolarHBondContact O-CB 3.26Å; T156-Q160 PolarHBondContact O-N 3.03Å; Q160-E162 VanDerWaalsContact C-N 3.29Å; Q160-E162 PolarHBondContact O-N 2.92Å; Q160-T163 WeakPolarHBondContact O-CA 3.45Å; Q160-T163 WeakPolarHBondContact O-CB 3.49Å; Q160-T163 PolarHBondContact O-N 3.16Å; Q160-D164 PolarHBondContact NE2-OD1 2.95Å; Q160-D164 VanDerWaalsContact O-CG 3.24Å; Q160-D164 PolarHBondContact O-N 3.31Å |
| 161 | N | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.2 | -38 | 177.7 | -72.3 | -1.3 | 0 | 0 | 0 | 112.7 | D157 S158 Q165 | D157-N161 WeakPolarHBondContact O-CB 3.47Å; D157-N161 PolarHBondContact O-N 2.87Å; D157-N161 PolarHBondContact O-OD1 3.08Å; S158-N161 PolarHBondContact O-N 3.42Å; N161-Q165 VanDerWaalsContact O-CB 3.28Å; N161-Q165 WeakPolarHBondContact O-CB 3.47Å; N161-Q165 PolarHBondContact O-N 2.85Å |
| 162 | E | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 174.3 | -175.2 | 175.3 | -176.4 | 0 | 0 | 111.5 | S158 Q160 Q165 L166 | S158-E162 WeakPolarHBondContact O-CB 3.36Å; S158-E162 PolarHBondContact O-N 2.77Å; Q160-E162 VanDerWaalsContact C-N 3.29Å; Q160-E162 PolarHBondContact O-N 2.92Å; E162-Q165 PolarHBondContact O-N 3.03Å; E162-L166 HydrophobicContact CG-CD1 4.22Å; E162-L166 WeakPolarHBondContact O-CB 3.18Å; E162-L166 VanDerWaalsContact O-CG 3.26Å; E162-L166 WeakPolarHBondContact O-CG 3.45Å; E162-L166 PolarHBondContact O-N 2.85Å |
| 163 | T | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 93.7 Ų | 93.7 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -51.2 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 111 | L159 Q160 Q165 L166 E167 | L159-T163 WeakPolarHBondContact O-CB 3.17Å; L159-T163 PolarHBondContact O-N 3.47Å; L159-T163 PolarHBondContact O-OG1 3.17Å; Q160-T163 WeakPolarHBondContact O-CA 3.45Å; Q160-T163 WeakPolarHBondContact O-CB 3.49Å; Q160-T163 PolarHBondContact O-N 3.16Å; T163-Q165 VanDerWaalsContact C-N 3.28Å; T163-Q165 PolarHBondContact O-N 3.49Å; T163-L166 PolarHBondContact O-N 3.25Å; T163-L166 VanDerWaalsContact O-N 3.17Å; T163-E167 WeakPolarHBondContact O-CG 3.27Å; T163-E167 PolarHBondContact O-N 2.95Å |
| 164 | D | 98.7 | Very high | 98.8 | Very high | 81 Ų | 81 | 93 Ų | 93 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 179.7 | -61.7 | -6.4 | 0 | 0 | 0 | 111.3 | Q160 G168 | Q160-D164 PolarHBondContact NE2-OD1 2.95Å; Q160-D164 VanDerWaalsContact O-CG 3.24Å; Q160-D164 PolarHBondContact O-N 3.31Å; D164-G168 PolarHBondContact O-N 2.71Å |
| 165 | Q | 98.8 | Very high | 98.8 | Very high | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -49.8 | 174.3 | 178.6 | 173.4 | 25.1 | 0 | 0 | 111.6 | N161 E162 T163 E167 G168 E169 | N161-Q165 VanDerWaalsContact O-CB 3.28Å; N161-Q165 WeakPolarHBondContact O-CB 3.47Å; N161-Q165 PolarHBondContact O-N 2.85Å; E162-Q165 PolarHBondContact O-N 3.03Å; T163-Q165 VanDerWaalsContact C-N 3.28Å; T163-Q165 PolarHBondContact O-N 3.49Å; Q165-E167 VanDerWaalsContact C-N 3.34Å; Q165-E167 PolarHBondContact O-N 2.85Å; Q165-G168 PolarHBondContact O-N 2.67Å; Q165-E169 PolarHBondContact NE2-OE1 2.82Å; Q165-E169 WeakPolarHBondContact O-CG 3.46Å; Q165-E169 PolarHBondContact O-N 2.84Å |
| 166 | L | 98.8 | Very high | 98.8 | Very high | 99 Ų | 99 | 94.7 Ų | 94.7 | 52% | 0.518 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | -179.5 | -71.3 | 170.7 | 0 | 0 | 0 | 112.1 | E162 T163 K170 | E162-L166 HydrophobicContact CG-CD1 4.22Å; E162-L166 WeakPolarHBondContact O-CB 3.18Å; E162-L166 VanDerWaalsContact O-CG 3.26Å; E162-L166 WeakPolarHBondContact O-CG 3.45Å; E162-L166 PolarHBondContact O-N 2.85Å; T163-L166 PolarHBondContact O-N 3.25Å; T163-L166 VanDerWaalsContact O-N 3.17Å; L166-K170 WeakPolarHBondContact O-CB 3.4Å; L166-K170 PolarHBondContact O-N 2.82Å |
| 167 | E | 98.8 | Very high | 98.8 | Very high | 126 Ų | 126 | 95.2 Ų | 95.2 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 171.6 | -72.3 | -171.6 | 179.1 | 0 | 0 | 111.8 | T163 Q165 S171 | T163-E167 WeakPolarHBondContact O-CG 3.27Å; T163-E167 PolarHBondContact O-N 2.95Å; Q165-E167 VanDerWaalsContact C-N 3.34Å; Q165-E167 PolarHBondContact O-N 2.85Å; E167-S171 WeakPolarHBondContact O-CB 3.41Å; E167-S171 PolarHBondContact O-N 2.97Å |
| 168 | G | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 93.6 Ų | 93.6 | 36% | 0.361 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D164 Q165 S171 R172 | D164-G168 PolarHBondContact O-N 2.71Å; Q165-G168 PolarHBondContact O-N 2.67Å; G168-S171 PolarHBondContact O-N 3.18Å; G168-S171 PolarHBondContact O-OG 3Å; G168-R172 PolarHBondContact O-N 3.13Å |
| 169 | E | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 97 Ų | 97 | 33% | 0.332 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 179.2 | -71.9 | -176.2 | -175.5 | 0 | 0 | 112.4 | Q165 S171 R172 L173 | Q165-E169 PolarHBondContact NE2-OE1 2.82Å; Q165-E169 WeakPolarHBondContact O-CG 3.46Å; Q165-E169 PolarHBondContact O-N 2.84Å; E169-S171 VanDerWaalsContact C-N 3.33Å; E169-S171 PolarHBondContact O-N 3.09Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 3.11Å; E169-R172 VanDerWaalsContact O-N 3.16Å; E169-L173 WeakPolarHBondContact O-CG 3.48Å; E169-L173 PolarHBondContact O-N 3.34Å |
| 170 | K | 98.8 | Very high | 98.8 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -55.9 | -47.6 | 171.7 | 177.2 | -176.7 | 176.5 | -175.5 | 0 | 111.2 | L166 R172 L173 Q174 | L166-K170 WeakPolarHBondContact O-CB 3.4Å; L166-K170 PolarHBondContact O-N 2.82Å; K170-R172 VanDerWaalsContact C-N 3.29Å; K170-R172 PolarHBondContact O-N 3.01Å; K170-L173 PolarHBondContact O-N 2.81Å; K170-Q174 WeakPolarHBondContact O-CB 3.47Å; K170-Q174 VanDerWaalsContact O-CG 3.27Å; K170-Q174 WeakPolarHBondContact O-CG 3.19Å; K170-Q174 PolarHBondContact O-N 2.9Å |
| 171 | S | 98.8 | Very high | 98.8 | Very high | 45 Ų | 45 | 97.6 Ų | 97.6 | 32% | 0.315 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -31 | 179.2 | 83.5 | 0 | 0 | 0 | 0 | 112.9 | E167 G168 E169 K175 | E167-S171 WeakPolarHBondContact O-CB 3.41Å; E167-S171 PolarHBondContact O-N 2.97Å; G168-S171 PolarHBondContact O-N 3.18Å; G168-S171 PolarHBondContact O-OG 3Å; E169-S171 VanDerWaalsContact C-N 3.33Å; E169-S171 PolarHBondContact O-N 3.09Å; S171-K175 WeakPolarHBondContact O-CD 3.4Å; S171-K175 VanDerWaalsContact O-CG 3.28Å; S171-K175 WeakPolarHBondContact O-CG 3.35Å; S171-K175 PolarHBondContact O-N 3.43Å |
| 172 | R | 98.8 | Very high | 98.8 | Very high | 142 Ų | 142 | 99.8 Ų | 99.8 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -53.2 | 174.3 | -171.4 | -173.9 | 76.8 | -145.1 | -1.6 | 110.6 | G168 E169 K170 Q174 K175 E176 | G168-R172 PolarHBondContact O-N 3.13Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 3.11Å; E169-R172 VanDerWaalsContact O-N 3.16Å; K170-R172 VanDerWaalsContact C-N 3.29Å; K170-R172 PolarHBondContact O-N 3.01Å; R172-Q174 VanDerWaalsContact C-N 3.31Å; R172-Q174 PolarHBondContact O-N 3.26Å; R172-K175 WeakPolarHBondContact O-CB 3.33Å; R172-K175 PolarHBondContact O-N 2.87Å; R172-K175 VanDerWaalsContact O-N 3.13Å; R172-E176 PolarHBondContact O-N 3.38Å |
| 173 | L | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 179.5 | -67.6 | 171.9 | 0 | 0 | 0 | 111.8 | E169 K170 K175 E176 I177 | E169-L173 WeakPolarHBondContact O-CG 3.48Å; E169-L173 PolarHBondContact O-N 3.34Å; K170-L173 PolarHBondContact O-N 2.81Å; L173-K175 VanDerWaalsContact C-N 3.34Å; L173-K175 PolarHBondContact O-N 3.1Å; L173-E176 PolarHBondContact O-N 3.45Å; L173-I177 WeakPolarHBondContact O-CB 3.26Å; L173-I177 WeakPolarHBondContact O-CD1 3.33Å; L173-I177 VanDerWaalsContact O-CG1 3.23Å; L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 3.39Å |
| 174 | Q | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 174.9 | -76.6 | -179.9 | -29.4 | 0 | 0 | 113 | K170 R172 A178 | K170-Q174 WeakPolarHBondContact O-CB 3.47Å; K170-Q174 VanDerWaalsContact O-CG 3.27Å; K170-Q174 WeakPolarHBondContact O-CG 3.19Å; K170-Q174 PolarHBondContact O-N 2.9Å; R172-Q174 VanDerWaalsContact C-N 3.31Å; R172-Q174 PolarHBondContact O-N 3.26Å; Q174-A178 WeakPolarHBondContact O-CB 3.42Å; Q174-A178 PolarHBondContact O-N 3.42Å; Q174-A178 VanDerWaalsContact O-N 3.13Å |
| 175 | K | 98.8 | Very high | 98.8 | Very high | 145 Ų | 145 | 104.6 Ų | 104.6 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.5 | -44.7 | 174.1 | -72.2 | 164.5 | -176.1 | 169.3 | 0 | 111.6 | S171 R172 L173 A178 E179 | S171-K175 WeakPolarHBondContact O-CD 3.4Å; S171-K175 VanDerWaalsContact O-CG 3.28Å; S171-K175 WeakPolarHBondContact O-CG 3.35Å; S171-K175 PolarHBondContact O-N 3.43Å; R172-K175 WeakPolarHBondContact O-CB 3.33Å; R172-K175 PolarHBondContact O-N 2.87Å; R172-K175 VanDerWaalsContact O-N 3.13Å; L173-K175 VanDerWaalsContact C-N 3.34Å; L173-K175 PolarHBondContact O-N 3.1Å; K175-A178 PolarHBondContact O-N 3.22Å; K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 PolarHBondContact O-N 2.91Å |
| 176 | E | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.6 | -173.1 | 175.1 | 176.7 | 0 | 0 | 111.6 | R172 L173 A178 E179 L180 | R172-E176 PolarHBondContact O-N 3.38Å; L173-E176 PolarHBondContact O-N 3.45Å; E176-A178 PolarHBondContact O-N 3.43Å; E176-E179 PolarHBondContact O-N 3.25Å; E176-L180 HydrophobicContact CG-CD1 4.23Å; E176-L180 WeakPolarHBondContact O-CB 3.43Å; E176-L180 VanDerWaalsContact O-CG 3.29Å; E176-L180 WeakPolarHBondContact O-CG 3.3Å; E176-L180 PolarHBondContact O-N 2.79Å |
| 177 | I | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 105.6 Ų | 105.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.1 | -70.1 | 163.5 | 0 | 0 | 0 | 111.2 | L173 E179 L180 Q181 | L173-I177 WeakPolarHBondContact O-CB 3.26Å; L173-I177 WeakPolarHBondContact O-CD1 3.33Å; L173-I177 VanDerWaalsContact O-CG1 3.23Å; L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 3.39Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.44Å; I177-L180 PolarHBondContact O-N 3.44Å; I177-Q181 HydrophobicContact CG2-CG 4.36Å; I177-Q181 WeakPolarHBondContact O-CB 3.35Å; I177-Q181 VanDerWaalsContact O-CG 3.23Å; I177-Q181 WeakPolarHBondContact O-CG 3.3Å; I177-Q181 PolarHBondContact O-N 2.88Å |
| 178 | A | 98.8 | Very high | 98.7 | Very high | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -34.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q174 K175 E176 K182 | Q174-A178 WeakPolarHBondContact O-CB 3.42Å; Q174-A178 PolarHBondContact O-N 3.42Å; Q174-A178 VanDerWaalsContact O-N 3.13Å; K175-A178 PolarHBondContact O-N 3.22Å; E176-A178 PolarHBondContact O-N 3.43Å; A178-K182 WeakPolarHBondContact O-CB 3.4Å; A178-K182 PolarHBondContact O-N 3.45Å |
| 179 | E | 98.8 | Very high | 98.6 | Very high | 141 Ų | 141 | 108.1 Ų | 108.1 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68 | -47.2 | 174.9 | -177.1 | 163.2 | -153.7 | 0 | 0 | 111.4 | K175 E176 I177 Q181 K182 E183 | K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 PolarHBondContact O-N 2.91Å; E176-E179 PolarHBondContact O-N 3.25Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.44Å; E179-Q181 PolarHBondContact O-N 2.83Å; E179-K182 WeakPolarHBondContact O-CB 3.34Å; E179-K182 PolarHBondContact O-N 2.88Å; E179-E183 PolarHBondContact O-N 3.25Å |
| 180 | L | 98.8 | Very high | 98.6 | Very high | 98 Ų | 98 | 109 Ų | 109 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.7 | -69.8 | 170.7 | 0 | 0 | 0 | 112.5 | E176 I177 E183 K184 | E176-L180 HydrophobicContact CG-CD1 4.23Å; E176-L180 WeakPolarHBondContact O-CB 3.43Å; E176-L180 VanDerWaalsContact O-CG 3.29Å; E176-L180 WeakPolarHBondContact O-CG 3.3Å; E176-L180 PolarHBondContact O-N 2.79Å; I177-L180 PolarHBondContact O-N 3.44Å; L180-E183 PolarHBondContact O-N 3.32Å; L180-K184 WeakPolarHBondContact O-CB 3.39Å; L180-K184 PolarHBondContact O-N 2.91Å |
| 181 | Q | 98.7 | Very high | 98.4 | Very high | 107 Ų | 107 | 108.7 Ų | 108.7 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 173 | -78.4 | 172.9 | -19.4 | 0 | 0 | 111.4 | I177 E179 E183 K184 E185 | I177-Q181 HydrophobicContact CG2-CG 4.36Å; I177-Q181 WeakPolarHBondContact O-CB 3.35Å; I177-Q181 VanDerWaalsContact O-CG 3.23Å; I177-Q181 WeakPolarHBondContact O-CG 3.3Å; I177-Q181 PolarHBondContact O-N 2.88Å; E179-Q181 PolarHBondContact O-N 2.83Å; Q181-E183 VanDerWaalsContact C-N 3.35Å; Q181-E183 PolarHBondContact O-N 3.12Å; Q181-K184 WeakPolarHBondContact O-CB 3.41Å; Q181-K184 PolarHBondContact O-N 3.45Å; Q181-E185 WeakPolarHBondContact O-CG 3.5Å; Q181-E185 PolarHBondContact O-N 2.84Å |
| 182 | K | 98.8 | Very high | 98.2 | Very high | 153 Ų | 153 | 112.2 Ų | 112.2 | 67% | 0.665 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 175.8 | -178.5 | -175.9 | 176.3 | -173.6 | 0 | 112.6 | A178 E179 K186 | A178-K182 WeakPolarHBondContact O-CB 3.4Å; A178-K182 PolarHBondContact O-N 3.45Å; E179-K182 WeakPolarHBondContact O-CB 3.34Å; E179-K182 PolarHBondContact O-N 2.88Å; K182-K186 WeakPolarHBondContact O-CB 3.34Å; K182-K186 PolarHBondContact O-N 3.47Å |
| 183 | E | 98.6 | Very high | 98.1 | Very high | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.2 | -177.4 | 165.2 | -146.7 | 0 | 0 | 111.6 | E179 L180 Q181 K186 L187 | E179-E183 PolarHBondContact O-N 3.25Å; L180-E183 PolarHBondContact O-N 3.32Å; Q181-E183 VanDerWaalsContact C-N 3.35Å; Q181-E183 PolarHBondContact O-N 3.12Å; E183-K186 WeakPolarHBondContact O-CB 3.41Å; E183-K186 PolarHBondContact O-N 3.31Å; E183-L187 HydrophobicContact CG-CD1 4.2Å; E183-L187 WeakPolarHBondContact O-CG 3.44Å; E183-L187 PolarHBondContact O-N 3.42Å |
| 184 | K | 98.6 | Very high | 97.9 | Very high | 116 Ų | 116 | 109.3 Ų | 109.3 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.9 | -53.9 | 173 | -173.1 | -157.4 | 175.3 | -110.9 | 0 | 111.2 | L180 Q181 K186 L187 E188 | L180-K184 WeakPolarHBondContact O-CB 3.39Å; L180-K184 PolarHBondContact O-N 2.91Å; Q181-K184 WeakPolarHBondContact O-CB 3.41Å; Q181-K184 PolarHBondContact O-N 3.45Å; K184-K186 VanDerWaalsContact C-N 3.26Å; K184-K186 PolarHBondContact O-N 2.82Å; K184-L187 PolarHBondContact O-N 3.32Å; K184-E188 WeakPolarHBondContact CE-OE1 3.38Å; K184-E188 WeakPolarHBondContact CE-OE2 3.34Å; K184-E188 HydrophobicContact CG-CG 4.37Å; K184-E188 IonicContact NZ-OE1 3.01Å; K184-E188 PolarHBondContact NZ-OE1 3.49Å; K184-E188 IonicContact NZ-OE2 2.97Å; K184-E188 PolarHBondContact NZ-OE2 3.47Å; K184-E188 WeakPolarHBondContact O-CB 3.45Å; K184-E188 WeakPolarHBondContact O-CG 3.49Å; K184-E188 PolarHBondContact O-N 2.91Å |
| 185 | E | 98.6 | Very high | 97.5 | Very high | 124 Ų | 124 | 110 Ų | 110 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.8 | -39.6 | 178.4 | -74.1 | 171.7 | -172.5 | 0 | 0 | 112.1 | Q181 L189 | Q181-E185 WeakPolarHBondContact O-CG 3.5Å; Q181-E185 PolarHBondContact O-N 2.84Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 PolarHBondContact O-N 2.97Å |
| 186 | K | 98.4 | Very high | 97 | Very high | 142 Ų | 142 | 108.4 Ų | 108.4 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 175.3 | 178.4 | -168.5 | 171.4 | -162.7 | 0 | 112 | K182 E183 K184 V190 | K182-K186 WeakPolarHBondContact O-CB 3.34Å; K182-K186 PolarHBondContact O-N 3.47Å; E183-K186 WeakPolarHBondContact O-CB 3.41Å; E183-K186 PolarHBondContact O-N 3.31Å; K184-K186 VanDerWaalsContact C-N 3.26Å; K184-K186 PolarHBondContact O-N 2.82Å; K186-V190 WeakPolarHBondContact O-CG2 3.16Å; K186-V190 PolarHBondContact O-N 3.2Å |
| 187 | L | 98.4 | Very high | 96.6 | Very high | 96 Ų | 96 | 109.7 Ų | 109.7 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.2 | -41.4 | 177.6 | -69.4 | 172.1 | 0 | 0 | 0 | 111.4 | E183 K184 L189 V190 L191 | E183-L187 HydrophobicContact CG-CD1 4.2Å; E183-L187 WeakPolarHBondContact O-CG 3.44Å; E183-L187 PolarHBondContact O-N 3.42Å; K184-L187 PolarHBondContact O-N 3.32Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.97Å; L187-V190 PolarHBondContact O-N 3.24Å; L187-V190 VanDerWaalsContact O-N 3.15Å; L187-L191 WeakPolarHBondContact O-CG 3.32Å; L187-L191 PolarHBondContact O-N 2.86Å |
| 188 | E | 97.6 | Very high | 96 | Very high | 89 Ų | 89 | 107.6 Ų | 107.6 | 42% | 0.416 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 173.4 | -73 | -179.2 | 138.3 | 0 | 0 | 111.1 | K184 V190 L191 E192 | K184-E188 WeakPolarHBondContact CE-OE1 3.38Å; K184-E188 WeakPolarHBondContact CE-OE2 3.34Å; K184-E188 HydrophobicContact CG-CG 4.37Å; K184-E188 IonicContact NZ-OE1 3.01Å; K184-E188 PolarHBondContact NZ-OE1 3.49Å; K184-E188 IonicContact NZ-OE2 2.97Å; K184-E188 PolarHBondContact NZ-OE2 3.47Å; K184-E188 WeakPolarHBondContact O-CB 3.45Å; K184-E188 WeakPolarHBondContact O-CG 3.49Å; K184-E188 PolarHBondContact O-N 2.91Å; E188-V190 VanDerWaalsContact C-N 3.34Å; E188-V190 PolarHBondContact O-N 3.01Å; E188-L191 PolarHBondContact O-N 2.91Å; E188-E192 WeakPolarHBondContact O-CB 3.4Å; E188-E192 PolarHBondContact O-N 3.02Å |
| 189 | L | 97.9 | Very high | 95.2 | Very high | 125 Ų | 125 | 114.6 Ų | 114.6 | 65% | 0.654 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.3 | -39.6 | 174.3 | -179.5 | 65.3 | 0 | 0 | 0 | 113 | E185 L187 A193 | E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 PolarHBondContact O-N 2.97Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.97Å; L189-A193 VanDerWaalsContact O-CB 3.29Å; L189-A193 WeakPolarHBondContact O-CB 3.35Å; L189-A193 PolarHBondContact O-N 3.29Å |
| 190 | V | 97.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 114.4 Ų | 114.4 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -40.9 | 177.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | K186 L187 E188 H194 | K186-V190 WeakPolarHBondContact O-CG2 3.16Å; K186-V190 PolarHBondContact O-N 3.2Å; L187-V190 PolarHBondContact O-N 3.24Å; L187-V190 VanDerWaalsContact O-N 3.15Å; E188-V190 VanDerWaalsContact C-N 3.34Å; E188-V190 PolarHBondContact O-N 3.01Å; V190-H194 WeakPolarHBondContact O-CB 3.34Å; V190-H194 PolarHBondContact O-N 3.19Å; V190-H194 VanDerWaalsContact O-N 3.11Å |
| 191 | L | 95.4 | Very high | 92.5 | Very high | 121 Ų | 121 | 116.1 Ų | 116.1 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.9 | -44.1 | 177.4 | -68.7 | 174.2 | 0 | 0 | 0 | 111.6 | L187 E188 A193 H194 R195 | L187-L191 WeakPolarHBondContact O-CG 3.32Å; L187-L191 PolarHBondContact O-N 2.86Å; E188-L191 PolarHBondContact O-N 2.91Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 3.07Å; L191-H194 PolarHBondContact O-N 2.94Å; L191-R195 PolarHBondContact O-N 2.99Å |
| 192 | E | 95.4 | Very high | 90.8 | Very high | 118 Ų | 118 | 116.8 Ų | 116.8 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.4 | -38.9 | 178.4 | -167.8 | 59.1 | -154.9 | 0 | 0 | 111.5 | E188 H194 R195 P196 | E188-E192 WeakPolarHBondContact O-CB 3.4Å; E188-E192 PolarHBondContact O-N 3.02Å; E192-H194 VanDerWaalsContact C-N 3.29Å; E192-H194 PolarHBondContact O-N 2.64Å; E192-R195 WeakPolarHBondContact O-CB 3.35Å; E192-R195 PolarHBondContact O-N 3.4Å; E192-R195 IonicContact OE2-NH1 3.95Å; E192-P196 WeakPolarHBondContact O-CD 3.46Å |
| 193 | A | 95.5 | Very high | 88.7 | Confident | 65 Ų | 65 | 114.3 Ų | 114.3 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.2 | -28 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L189 L191 | L189-A193 VanDerWaalsContact O-CB 3.29Å; L189-A193 WeakPolarHBondContact O-CB 3.35Å; L189-A193 PolarHBondContact O-N 3.29Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 3.07Å |
| 194 | H | 94.6 | Very high | 86.6 | Confident | 99 Ų | 99 | 117.1 Ų | 117.1 | 46% | 0.458 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -82.4 | -29.4 | 176.4 | -179.1 | -95 | 0 | 0 | 0 | 113 | V190 L191 E192 P196 I197 C198 | V190-H194 WeakPolarHBondContact O-CB 3.34Å; V190-H194 PolarHBondContact O-N 3.19Å; V190-H194 VanDerWaalsContact O-N 3.11Å; L191-H194 PolarHBondContact O-N 2.94Å; E192-H194 VanDerWaalsContact C-N 3.29Å; E192-H194 PolarHBondContact O-N 2.64Å; H194-P196 VanDerWaalsContact C-CD 3.48Å; H194-I197 WeakPolarHBondContact O-CB 3.33Å; H194-I197 PolarHBondContact O-N 3.5Å; H194-C198 PolarHBondContact O-N 2.91Å |
| 195 | R | 90.8 | Very high | 84.6 | Confident | 131 Ų | 131 | 117 Ų | 117 | 49% | 0.494 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -44.9 | -49.4 | -176.7 | -161.6 | 178.6 | -162.6 | 138.8 | 7.6 | 115 | L191 E192 I197 C198 D202 | L191-R195 PolarHBondContact O-N 2.99Å; E192-R195 WeakPolarHBondContact O-CB 3.35Å; E192-R195 PolarHBondContact O-N 3.4Å; E192-R195 IonicContact OE2-NH1 3.95Å; R195-I197 PolarHBondContact O-N 3.06Å; R195-I197 VanDerWaalsContact O-N 3.15Å; R195-C198 PolarHBondContact O-N 3.49Å; R195-D202 IonicContact CZ-OD2 3.9Å; R195-D202 IonicContact NE-OD2 3.41Å; R195-D202 PolarHBondContact NE-OD2 3.29Å; R195-D202 IonicContact NH2-OD1 2.78Å; R195-D202 IonicContact NH2-OD2 3.19Å; R195-D202 PolarHBondContact NH2-OD2 3.25Å |
| 196 | P | 89.1 | Confident | 82.6 | Confident | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -70.6 | -7.6 | -179.5 | 29.2 | -37.4 | 0 | 0 | 0 | 115.2 | E192 H194 | E192-P196 WeakPolarHBondContact O-CD 3.46Å; H194-P196 VanDerWaalsContact C-CD 3.48Å |
| 197 | I | 89.4 | Confident | 80.3 | Confident | 124 Ų | 124 | 117 Ų | 117 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -106.1 | -18.2 | -178.8 | -59.4 | 153.4 | 0 | 0 | 0 | 110.8 | H194 R195 | H194-I197 WeakPolarHBondContact O-CB 3.33Å; H194-I197 PolarHBondContact O-N 3.5Å; R195-I197 PolarHBondContact O-N 3.06Å; R195-I197 VanDerWaalsContact O-N 3.15Å |
| 198 | C | 86.2 | Confident | 77.8 | Confident | 49 Ų | 49 | 120 Ų | 120 | 33% | 0.331 | 66% | 0.655 | S | S | . | * | trans | -65.3 | 136 | 178.4 | -159.5 | 0 | 0 | 0 | 0 | 111.1 | H194 R195 | H194-C198 PolarHBondContact O-N 2.91Å; R195-C198 PolarHBondContact O-N 3.49Å | ||
| 199 | K | 81.6 | Confident | 75.8 | Confident | 201 Ų | 201 | 121.3 Ų | 121.3 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | -108.1 | 13.8 | 175.3 | -60.2 | -176.1 | -179.1 | -179.2 | 0 | 112.9 | ||||
| 200 | I | 79.7 | Confident | 73.5 | Confident | 137 Ų | 137 | 121.7 Ų | 121.7 | 70% | 0.703 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -93.5 | 112.8 | 171.7 | -48.2 | 170.2 | 0 | 0 | 0 | 103.7 | ||
| 201 | D | 62.3 | Low | 71.5 | Confident | 134 Ų | 134 | 123.2 Ų | 123.2 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | -60.8 | 140.5 | 178.1 | -68.1 | -50.6 | 0 | 0 | 0 | 109.7 | S203 | D201-S203 PolarHBondContact O-N 3.19Š| ||
| 202 | D | 61.9 | Low | 69 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 65% | 0.647 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -68.3 | 26 | 177.6 | -78.5 | -29.6 | 0 | 0 | 0 | 112.6 | R195 D204 | R195-D202 IonicContact CZ-OD2 3.9Å; R195-D202 IonicContact NE-OD2 3.41Å; R195-D202 PolarHBondContact NE-OD2 3.29Å; R195-D202 IonicContact NH2-OD1 2.78Å; R195-D202 IonicContact NH2-OD2 3.19Å; R195-D202 PolarHBondContact NH2-OD2 3.25Å; D202-D204 PolarHBondContact O-N 3.46Å |
| 203 | S | 54.4 | Low | 67.1 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -5.5 | -163.1 | -70.8 | 0 | 0 | 0 | 0 | 116.8 | D201 | D201-S203 PolarHBondContact O-N 3.19Š|
| 204 | D | 56 | Low | 65.1 | Low | 167 Ų | 167 | 127.8 Ų | 127.8 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 13.5 | -170.9 | -86.8 | -14.9 | 0 | 0 | 0 | 115.1 | D202 | D202-D204 PolarHBondContact O-N 3.46Š|
| 205 | S | 56.6 | Low | 63.3 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -154.7 | 50.5 | -178.4 | -135.3 | 0 | 0 | 0 | 0 | 118.3 | ||
| 206 | D | 55.9 | Low | 61 | Low | 159 Ų | 159 | 130.4 Ų | 130.4 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -154.3 | 136.9 | 144.2 | -135.8 | -21.4 | 0 | 0 | 0 | 112.1 | ||
| 207 | S | 50.8 | Low | 58.6 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 85.1 | 80.8 | -172.4 | -40.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 208 | D | 45 | Very low | 56.5 | Low | 160 Ų | 160 | 127.4 Ų | 127.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -159.8 | 136.6 | 125.1 | -116.8 | -16.3 | 0 | 0 | 0 | 112.3 | |||||
| 209 | P | 56 | Low | 54.4 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -79.4 | 131.7 | 175.4 | 31.7 | -31.7 | 0 | 0 | 0 | 111.6 | ||||
| 210 | T | 49.3 | Very low | 52.6 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -46.7 | 145.2 | 172.5 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 211 | P | 55 | Low | 51 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -156.3 | 138.7 | 64.7 | 38.2 | -16.8 | 0 | 0 | 0 | 118.6 | |||||
| 212 | S | 44.4 | Very low | 50.4 | Low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -167.5 | 84.2 | 145.2 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | S214 | S212-S214 VanDerWaalsContact C-N 3.3Å; S212-S214 PolarHBondContact O-N 3.01Å | ||
| 213 | L | 55.5 | Low | 49.6 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 97% | 0.974 | 79% | 0.789 | S | S | * | * | trans | -94.4 | 66 | 156.3 | -77.2 | 173.8 | 0 | 0 | 0 | 108.9 | ||||
| 214 | S | 52.8 | Low | 48.7 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -108.9 | 61.6 | 176.1 | -163.4 | 0 | 0 | 0 | 0 | 111.3 | S212 | S212-S214 VanDerWaalsContact C-N 3.3Å; S212-S214 PolarHBondContact O-N 3.01Å | ||
| 215 | S | 56.3 | Low | 47.8 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 55% | 0.552 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -153.7 | 128.6 | 160.2 | -168 | 0 | 0 | 0 | 0 | 109.3 | ||
| 216 | F | 43.2 | Very low | 47 | Very low | 205 Ų | 205 | 138.1 Ų | 138.1 | 90% | 0.899 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 62.5 | 118.6 | -174.9 | -31.8 | -70.5 | 0 | 0 | 0 | 113.4 | ||
| 217 | G | 39.3 | Very low | 46.5 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | 153.7 | 94.8 | 7.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 218 | A | 44 | Very low | 46.1 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 41.9 | 98 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 219 | I | 41.9 | Very low | 45.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | -132 | 135.4 | 122.5 | -73.6 | 99.7 | 0 | 0 | 0 | 108.3 | L221 | I219-L221 PolarHBondContact O-N 2.85Š| |||
| 220 | K | 45.3 | Very low | 44.9 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 73% | 0.726 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 116.8 | 177.6 | -179.2 | -170.3 | 178.8 | -144.3 | 0 | 110 | E222 | K220-E222 IonicContact NZ-OE2 3.92Å; K220-E222 PolarHBondContact NZ-OE2 2.92Å |
| 221 | L | 44.4 | Very low | 45 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96 | 123 | 164.5 | -70.5 | 176.6 | 0 | 0 | 0 | 109.2 | I219 | I219-L221 PolarHBondContact O-N 2.85Š|
| 222 | E | 51.5 | Low | 43.9 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 140.9 | 174.8 | -166.3 | 162.2 | 137.9 | 0 | 0 | 108.5 | K220 E224 | K220-E222 IonicContact NZ-OE2 3.92Å; K220-E222 PolarHBondContact NZ-OE2 2.92Å; E222-E224 PolarHBondContact O-N 3.1Å |
| 223 | P | 43.3 | Very low | 43.7 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 125 | -179.4 | -14.1 | 29.9 | 0 | 0 | 0 | 111.6 | E225 | P223-E225 PolarHBondContact O-N 3.48Š|
| 224 | E | 37 | Very low | 42.8 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -75.7 | 102.6 | 172.7 | -77.3 | -82 | 139.8 | 0 | 0 | 110.8 | E222 | E222-E224 PolarHBondContact O-N 3.1Š| ||
| 225 | E | 35.4 | Very low | 42 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -92.6 | 136.8 | 159.7 | -83.3 | -165.7 | 151.3 | 0 | 0 | 111.3 | P223 | P223-E225 PolarHBondContact O-N 3.48Š| ||
| 226 | S | 41 | Very low | 41.2 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -76.2 | 127.1 | -172.1 | 53.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 227 | I | 44.9 | Very low | 41 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -144.6 | 135.9 | 148.6 | -74.9 | 104.3 | 0 | 0 | 0 | 110.7 | ||||
| 228 | I | 41.8 | Very low | 41.4 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 82% | 0.815 | 82% | 0.822 | S | S | * | * | trans | -97 | 135 | 171 | -62.7 | 162.3 | 0 | 0 | 0 | 106.6 | ||||
| 229 | P | 42.7 | Very low | 41.4 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | -159.7 | 159.3 | 69.3 | 40.5 | -18.4 | 0 | 0 | 0 | 120.3 | |||||
| 230 | G | 34.3 | Very low | 41.7 | Very low | 72 Ų | 72 | 153.5 Ų | 153.5 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 98.6 | 162.8 | 138 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 231 | P | 50.5 | Low | 41.6 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -118.3 | 151.2 | -142.9 | 39 | -28.9 | 0 | 0 | 0 | 115.9 | ||||
| 232 | S | 32.7 | Very low | 41.4 | Very low | 123 Ų | 123 | 153 Ų | 153 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -156.2 | 145.4 | 153.6 | -160.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 233 | T | 39.7 | Very low | 41 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -86.8 | 133.7 | -169.2 | 54.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 234 | K | 36.3 | Very low | 41.2 | Very low | 213 Ų | 213 | 154.9 Ų | 154.9 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -138.6 | 144.1 | 152.1 | -70.2 | -167.8 | 179.7 | 175.2 | 0 | 111.8 | ||||
| 235 | K | 35.9 | Very low | 41.5 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 153.7 | -173.7 | -59.8 | 170.8 | -178.7 | 173.1 | 0 | 110.9 | ||
| 236 | P | 40.8 | Very low | 41.8 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.5 | 169.2 | 30.6 | -33.3 | 0 | 0 | 0 | 111.7 | ||
| 237 | E | 38.5 | Very low | 41.8 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 148.2 | 166.7 | -80.2 | -166.6 | 111.7 | 0 | 0 | 111.4 | ||
| 238 | K | 47.3 | Very low | 41.7 | Very low | 192 Ų | 192 | 150.4 Ų | 150.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 142.1 | 172.3 | -69.6 | -178.2 | 175.9 | -176.3 | 0 | 110.5 | ||
| 239 | P | 44.8 | Very low | 41.9 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141.3 | 175.2 | 28.9 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 240 | K | 47.3 | Very low | 41.6 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 137.8 | 175.5 | -64.6 | 171 | -177 | 167.9 | 0 | 110.2 | ||
| 241 | P | 43 | Very low | 41.9 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72 | 137.5 | 173.5 | 29.9 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 242 | K | 40.8 | Very low | 41.1 | Very low | 207 Ų | 207 | 151.5 Ų | 151.5 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | -85.9 | 113.6 | 170.8 | -69.4 | 177.8 | 179.7 | 176 | 0 | 109.1 | ||||
| 243 | I | 43.6 | Very low | 41.2 | Very low | 148 Ų | 148 | 152 Ų | 152 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 121.8 | 171.1 | -62.8 | 174.4 | 0 | 0 | 0 | 108 | ||
| 244 | I | 47.4 | Very low | 41 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 123.1 | 172.8 | -62.3 | 172.8 | 0 | 0 | 0 | 107.8 | ||
| 245 | I | 42.6 | Very low | 40.9 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 122.6 | 175.2 | -57.5 | 172.6 | 0 | 0 | 0 | 108 | ||
| 246 | P | 42.7 | Very low | 40.8 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 136.9 | 173.3 | 30.1 | -32.6 | 0 | 0 | 0 | 111.1 | ||
| 247 | A | 40.8 | Very low | 40.6 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 153.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 248 | K | 42.5 | Very low | 40.4 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 139.7 | 178.2 | -58.5 | 172.7 | 179.8 | 176.6 | 0 | 111.5 | ||
| 249 | P | 46.3 | Very low | 39.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87 | 152.4 | 156.9 | 33.8 | -30.6 | 0 | 0 | 0 | 111.5 | ||
| 250 | V | 36.5 | Very low | 39.5 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -109 | 124.2 | 179.8 | 168.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 251 | V | 40.8 | Very low | 39.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 34.3 | 122.2 | 149.8 | -173.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 252 | S | 33.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -153.8 | 154.8 | 131.5 | -84.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 253 | T | 35.2 | Very low | 39.2 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -98.1 | 144.3 | -159.6 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 254 | A | 34.2 | Very low | 39.3 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -154.9 | 141 | 142.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 255 | S | 35.3 | Very low | 39.3 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -86.5 | 156 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 256 | V | 33.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | 176.6 | 137.9 | 128.2 | 146.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 257 | V | 35.8 | Very low | 40.3 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 46.2 | 110.3 | 172.3 | -67.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 258 | A | 35.5 | Very low | 40.7 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | 5.5 | 134.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 259 | S | 37.3 | Very low | 41 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -151.1 | 147.1 | 132 | -77.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 260 | E | 35.6 | Very low | 40.9 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -103.6 | -170.3 | -165.7 | -56.1 | -179.2 | 149.8 | 0 | 0 | 112.4 | ||||
| 261 | S | 41.9 | Very low | 41.4 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 73.9 | 113.2 | -172.7 | 70.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 262 | E | 39.7 | Very low | 42.2 | Very low | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | cis | 89.2 | 93 | 36.1 | -165.2 | 175.7 | 177 | 0 | 0 | 114 | ||||
| 263 | S | 43.6 | Very low | 43.2 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -170.7 | 88.6 | 144.8 | 42.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 264 | L | 45.9 | Very low | 43.7 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | 33.1 | 118.8 | 136.4 | -59.7 | 170.1 | 0 | 0 | 0 | 121.8 | ||||
| 265 | H | 46.4 | Very low | 44.5 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 70.9 | 88.2 | 129.3 | -166.6 | -73.3 | 0 | 0 | 0 | 120.2 | |||||
| 266 | T | 49 | Very low | 45.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -133 | 125.7 | 139.7 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | V268 | T266-V268 PolarHBondContact O-N 3.37Š| ||
| 267 | P | 58.3 | Low | 46.2 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -75 | 113.8 | 175.3 | 28.3 | -32.1 | 0 | 0 | 0 | 110.4 | L269 | P267-L269 PolarHBondContact O-N 3.29Š| ||
| 268 | V | 48.4 | Very low | 46.5 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | -71.8 | 117.5 | 172.9 | 176 | 0 | 0 | 0 | 0 | 109.2 | T266 T270 | T266-V268 PolarHBondContact O-N 3.37Å; V268-T270 PolarHBondContact O-N 3.15Å; V268-T270 VanDerWaalsContact O-N 3.09Å | ||
| 269 | L | 48.5 | Very low | 47.2 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -72 | 100.9 | 173.5 | -68.7 | 176.4 | 0 | 0 | 0 | 110.3 | P267 S271 | P267-L269 PolarHBondContact O-N 3.29Å; L269-S271 PolarHBondContact O-N 3.37Å; L269-S271 VanDerWaalsContact O-N 3.15Å | ||
| 270 | T | 45.8 | Very low | 47.7 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 94.3 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | V268 T272 | V268-T270 PolarHBondContact O-N 3.15Å; V268-T270 VanDerWaalsContact O-N 3.09Å; T270-T272 PolarHBondContact O-N 3.09Å | ||
| 271 | S | 46.3 | Very low | 48.3 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -66.7 | 115.5 | 173.1 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | L269 | L269-S271 PolarHBondContact O-N 3.37Å; L269-S271 VanDerWaalsContact O-N 3.15Å | ||
| 272 | T | 56.7 | Low | 48.9 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 125.5 | 173.9 | 37.7 | 0 | 0 | 0 | 0 | 111.3 | T270 S274 | T270-T272 PolarHBondContact O-N 3.09Å; T272-S274 PolarHBondContact O-N 3.27Å | ||
| 273 | P | 54.4 | Low | 49.5 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -79.1 | 105.5 | 170.6 | 30.3 | -31.1 | 0 | 0 | 0 | 109.9 | L275 | P273-L275 PolarHBondContact O-N 3.26Š| ||
| 274 | S | 46.3 | Very low | 49.5 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -73.4 | 121.5 | 170.6 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | T272 L276 | T272-S274 PolarHBondContact O-N 3.27Å; S274-L276 PolarHBondContact O-N 3.46Å | ||
| 275 | L | 51.2 | Low | 50 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -88.3 | 97.5 | 173.7 | -72.2 | 173 | 0 | 0 | 0 | 110.3 | P273 | P273-L275 PolarHBondContact O-N 3.26Š| ||
| 276 | L | 57.2 | Low | 49.9 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -132.7 | 112.5 | 162.4 | -71.6 | 176.9 | 0 | 0 | 0 | 110 | S274 F278 | S274-L276 PolarHBondContact O-N 3.46Å; L276-F278 PolarHBondContact O-N 3.45Å; L276-F278 VanDerWaalsContact O-N 3.11Å | ||
| 277 | S | 45.6 | Very low | 49.8 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -71.9 | 98.7 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | S279 | S277-S279 PolarHBondContact O-N 3.11Š| ||
| 278 | F | 43.7 | Very low | 48.7 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -81.5 | 103.3 | 175.5 | -165.3 | -95.6 | 0 | 0 | 0 | 111.2 | L276 A280 | L276-F278 PolarHBondContact O-N 3.45Å; L276-F278 VanDerWaalsContact O-N 3.11Å; F278-A280 HydrophobicContact CD1-CB 4.14Å; F278-A280 HydrophobicContact CE1-CB 4.06Å; F278-A280 PolarHBondContact O-N 3.33Å | ||
| 279 | S | 50.3 | Low | 48.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 103.9 | 168.8 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | S277 G281 | S277-S279 PolarHBondContact O-N 3.11Å; S279-G281 PolarHBondContact O-N 3.29Å; S279-G281 VanDerWaalsContact O-N 3.09Å | ||
| 280 | A | 47.7 | Very low | 47.7 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 84.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F278 | F278-A280 HydrophobicContact CD1-CB 4.14Å; F278-A280 HydrophobicContact CE1-CB 4.06Å; F278-A280 PolarHBondContact O-N 3.33Å | ||
| 281 | G | 48.4 | Very low | 47.2 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 124.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S279 V283 | S279-G281 PolarHBondContact O-N 3.29Å; S279-G281 VanDerWaalsContact O-N 3.09Å; G281-V283 PolarHBondContact O-N 3.09Å; G281-V283 VanDerWaalsContact O-N 3.08Å | ||
| 282 | M | 52.9 | Low | 46.5 | Very low | 193 Ų | 193 | 134 Ų | 134 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | -78.7 | 90.4 | 177.7 | -70.4 | -116.5 | -64.6 | 0 | 0 | 111.2 | ||||
| 283 | V | 53.1 | Low | 45.6 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -119.6 | 111.9 | 162.3 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | G281 T285 | G281-V283 PolarHBondContact O-N 3.09Å; G281-V283 VanDerWaalsContact O-N 3.08Å; V283-T285 PolarHBondContact O-N 3.34Å | ||
| 284 | F | 43.3 | Very low | 44.5 | Very low | 186 Ų | 186 | 132 Ų | 132 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -89.3 | 90.8 | 179.6 | -178.8 | -99.4 | 0 | 0 | 0 | 109.8 | Y286 | F284-Y286 HydrophobicContact CE1-CD2 4.07Å; F284-Y286 HydrophobicContact CZ-CD2 4.36Å | ||
| 285 | T | 55.8 | Low | 44 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -86.7 | 118.1 | 173.9 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | V283 | V283-T285 PolarHBondContact O-N 3.34Š| ||
| 286 | Y | 44.8 | Very low | 43.2 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -77.6 | 133.2 | 177.4 | -161.3 | -91.5 | 0 | 0 | 0 | 110.6 | F284 S288 | F284-Y286 HydrophobicContact CE1-CD2 4.07Å; F284-Y286 HydrophobicContact CZ-CD2 4.36Å; Y286-S288 PolarHBondContact O-N 3.08Å; Y286-S288 VanDerWaalsContact O-N 3.11Å | ||
| 287 | P | 48.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -76.6 | 98.4 | 173.8 | 30.6 | -32.1 | 0 | 0 | 0 | 109.9 | ||||
| 288 | S | 33.6 | Very low | 41.4 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 129.8 | 164.9 | -69.5 | 0 | 0 | 0 | 0 | 109.9 | Y286 T290 | Y286-S288 PolarHBondContact O-N 3.08Å; Y286-S288 VanDerWaalsContact O-N 3.11Å; S288-T290 PolarHBondContact O-N 3.29Å |
| 289 | S | 39 | Very low | 41.1 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.8 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 290 | T | 37.6 | Very low | 40.4 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 125.1 | 174.8 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | S288 | S288-T290 PolarHBondContact O-N 3.29Š|
| 291 | S | 35 | Very low | 39.7 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -149.3 | 118.5 | 143.9 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 292 | E | 32.8 | Very low | 39 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -56.3 | 134.1 | -179.5 | -71.3 | 152.6 | 134.4 | 0 | 0 | 111.4 | ||||
| 293 | A | 36.1 | Very low | 37.9 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | 71.4 | 90.2 | 70.2 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 294 | A | 32.4 | Very low | 37.2 | Very low | 108 Ų | 108 | 135 Ų | 135 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -154 | 150.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 295 | A | 35.3 | Very low | 36.9 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -98.7 | 178 | -167 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 296 | L | 33.7 | Very low | 35.8 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | 97.2 | 111.1 | 162.5 | -52.9 | 177.3 | 0 | 0 | 0 | 118.1 | ||||
| 297 | A | 35.7 | Very low | 35.3 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | 36.1 | 123.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 298 | V | 31.1 | Very low | 34.8 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | 177.6 | 149.6 | 110 | 150.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 299 | S | 37.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 82% | 0.822 | S | S | * | * | trans | -60.5 | 145.9 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 300 | H | 34.9 | Very low | 35.3 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 163 | 131.3 | 111.6 | -90.6 | -75.3 | 0 | 0 | 0 | 114.2 | |||||
| 301 | Q | 33.7 | Very low | 35.7 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | 73.2 | 147.2 | 139.9 | -151.3 | 157.1 | 68.4 | 0 | 0 | 120.1 | ||||
| 302 | A | 33.8 | Very low | 36.1 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | trans | -92.9 | 157.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 303 | L | 29.7 | Very low | 36.5 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | -159.6 | 157.2 | 127 | -130.3 | 69.4 | 0 | 0 | 0 | 113.5 | |||||
| 304 | H | 37.1 | Very low | 37 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 152.7 | -167.1 | -66.5 | -112.7 | 0 | 0 | 0 | 117 | ||
| 305 | P | 37 | Very low | 37.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 141.2 | 159 | 34.4 | -31.3 | 0 | 0 | 0 | 112.1 | ||
| 306 | S | 33.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 141.9 | 179.3 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 307 | A | 34.6 | Very low | 38.8 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68 | 146.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 308 | Q | 37.6 | Very low | 38.9 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 137.1 | 163.2 | -64 | 173.8 | -19.9 | 0 | 0 | 109.9 | ||
| 309 | Q | 38.8 | Very low | 39.3 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -109.6 | 136.8 | 168.4 | -77.2 | -147 | -28.6 | 0 | 0 | 112.1 | ||||
| 310 | P | 44.1 | Very low | 39.6 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 148.4 | 178.1 | 32.9 | -34.3 | 0 | 0 | 0 | 112.7 | ||
| 311 | C | 45.1 | Very low | 40.1 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134 | -176.7 | -64.9 | 0 | 0 | 0 | 0 | 113 | ||
| 312 | G | 43.9 | Very low | 40.6 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 141.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 313 | V | 41.8 | Very low | 41.1 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 126.5 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 314 | A | 46.6 | Very low | 41.8 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 119.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 315 | H | 41.5 | Very low | 42 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.4 | 178.3 | -131.5 | 69.2 | 0 | 0 | 0 | 111.7 | R317 | H315-R317 PolarHBondContact O-N 3.11Š|
| 316 | R | 48 | Very low | 42.7 | Very low | 241 Ų | 241 | 138.6 Ų | 138.6 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -79.1 | 112.3 | 174 | -75.6 | 179.4 | 170.5 | -98.9 | 0.6 | 110.2 | ||||
| 317 | R | 48.7 | Very low | 43.5 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -92.6 | 109.8 | 166.4 | -61.9 | -178.1 | 82.5 | -108.2 | 6.1 | 109.1 | H315 | H315-R317 PolarHBondContact O-N 3.11Š| ||
| 318 | S | 38.5 | Very low | 44.2 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -72.8 | 135.1 | 159.7 | -63 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 319 | S | 39.1 | Very low | 45.3 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 82% | 0.818 | S | S | * | * | trans | -133.2 | 103.6 | 169.8 | -65 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 320 | S | 43.1 | Very low | 45.5 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -83.3 | 114.6 | 168.5 | -172 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 321 | S | 46.8 | Very low | 45.5 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -100.7 | 108.3 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 322 | G | 44 | Very low | 46 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 136.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 323 | D | 43.1 | Very low | 46.3 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -110.9 | 126.8 | 167.3 | -165.7 | 17.8 | 0 | 0 | 0 | 107.1 | ||||
| 324 | Q | 45.7 | Very low | 46.9 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -102 | 125.8 | 175.3 | -68.1 | -175.4 | 16 | 0 | 0 | 107.7 | ||||
| 325 | S | 39.8 | Very low | 47.1 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -139.3 | 127.9 | 158.2 | 24.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 326 | D | 53.8 | Low | 47.5 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -61.6 | 149.8 | -178.4 | -52.1 | -92.7 | 0 | 0 | 0 | 112.1 | ||||
| 327 | H | 49.3 | Very low | 47.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | trans | -174 | 156.7 | 131.1 | -83.7 | -31.5 | 0 | 0 | 0 | 111.2 | ||||
| 328 | S | 49.2 | Very low | 47.4 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | 75.5 | 80 | 168.8 | -58.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 329 | L | 61.3 | Low | 47.9 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | 3.3 | 121.3 | 126.5 | -54.7 | 170.6 | 0 | 0 | 0 | 116.2 | |||||
| 330 | H | 41.7 | Very low | 48.4 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.875 | 84% | 0.837 | S | S | * | * | trans | 179.6 | 101.2 | 130.6 | -99 | 87.9 | 0 | 0 | 0 | 109.7 | ||||
| 331 | S | 43.8 | Very low | 48.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -96.7 | 145.7 | 167.7 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 332 | P | 57 | Low | 48.8 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | trans | -117.8 | 121.9 | 145.4 | 32.6 | -24 | 0 | 0 | 0 | 110.7 | ||||
| 333 | T | 50 | Low | 49.1 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | trans | -67.6 | 126.4 | 172.2 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 334 | I | 54.9 | Low | 49.5 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 80% | 0.8 | 84% | 0.843 | S | S | * | * | trans | -94.5 | 112.4 | 161.8 | -64.1 | -72.2 | 0 | 0 | 0 | 107.4 | ||||
| 335 | L | 49.7 | Very low | 49.8 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 82% | 0.817 | 84% | 0.84 | S | S | * | * | trans | -80.5 | 132 | 166.2 | -84.8 | 160.5 | 0 | 0 | 0 | 108.9 | ||||
| 336 | T | 50.2 | Low | 50.7 | Low | 133 Ų | 133 | 153.4 Ų | 153.4 | 82% | 0.816 | 85% | 0.849 | S | S | * | * | trans | -85.6 | 124.4 | 172.5 | -33 | 0 | 0 | 0 | 0 | 110 | ||||
| 337 | L | 46.9 | Very low | 50.4 | Low | 246 Ų | 246 | 154.5 Ų | 154.5 | 100% | 1.288 | 86% | 0.857 | S | S | * | * | trans | -135.8 | 0 | 158.1 | -79.4 | 176.2 | 0 | 0 | 0 | 107.6 |
Retrieved 337 of 337 residues in 341 ms
(Link to these results)