| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.2 | Very low | 35.9 | Very low | 236 Ų | 236 | 177.9 Ų | 177.9 | 100% | 1.163 | 90% | 0.897 | S | S | * | * | 0 | 104.2 | 0 | -65.4 | 160.9 | 70.1 | 0 | 0 | 107.4 | |||||
| 2 | W | 31 | Very low | 35.9 | Very low | 254 Ų | 254 | 175.8 Ų | 175.8 | 96% | 0.962 | 88% | 0.881 | S | S | * | * | trans | -139.7 | 107.8 | 179.4 | -84.4 | 64.9 | 0 | 0 | 0 | 106.8 | ||||
| 3 | D | 36.2 | Very low | 35.8 | Very low | 167 Ų | 167 | 169.8 Ų | 169.8 | 89% | 0.893 | 88% | 0.876 | S | S | * | * | trans | -109.1 | 130.3 | 167.2 | -88.2 | -56.6 | 0 | 0 | 0 | 108.5 | ||||
| 4 | R | 35.1 | Very low | 35.5 | Very low | 248 Ų | 248 | 167.7 Ų | 167.7 | 94% | 0.936 | 87% | 0.867 | S | S | * | * | trans | -164.6 | 94.1 | 162.5 | -118.9 | 174.9 | -174.1 | -116.8 | -0.6 | 110.6 | ||||
| 5 | S | 38.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 170.9 Ų | 170.9 | 81% | 0.811 | 87% | 0.872 | S | S | * | * | trans | -85.7 | 148.4 | 157.5 | 41 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 6 | D | 47.4 | Very low | 35.6 | Very low | 147 Ų | 147 | 166.5 Ų | 166.5 | 79% | 0.786 | 87% | 0.869 | S | S | * | * | trans | -66.1 | 162 | 168.5 | -56.3 | -78.1 | 0 | 0 | 0 | 111.3 | ||||
| 7 | F | 34.2 | Very low | 35.3 | Very low | 213 Ų | 213 | 160.9 Ų | 160.9 | 93% | 0.934 | 86% | 0.861 | S | S | * | * | -159 | 159.1 | 122.5 | -115.5 | -75 | 0 | 0 | 0 | 113.2 | |||||
| 8 | K | 33.6 | Very low | 36.4 | Very low | 191 Ų | 191 | 159 Ų | 159 | 83% | 0.83 | 86% | 0.859 | S | S | * | * | trans | -99 | 131.4 | -174.8 | 176.3 | -179.4 | -180 | 178.7 | 0 | 110.2 | ||||
| 9 | A | 34.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | trans | -83 | 135.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 10 | G | 32 | Very low | 35.8 | Very low | 76 Ų | 76 | 154.8 Ų | 154.8 | 78% | 0.784 | 85% | 0.853 | S | S | * | * | trans | -160.5 | 130.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 11 | F | 33.6 | Very low | 35.5 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | trans | -102.4 | 165.1 | -164.6 | -138 | -95.2 | 0 | 0 | 0 | 113.6 | ||||
| 12 | E | 36.3 | Very low | 35.2 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 71% | 0.71 | 83% | 0.83 | S | S | * | * | trans | -77.8 | 163.3 | -165 | -44.9 | 177.5 | 130.9 | 0 | 0 | 115.8 | ||||
| 13 | A | 34.3 | Very low | 35 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | -170.1 | 102.4 | 127.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 14 | N | 32.5 | Very low | 34.8 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | -14 | 136.6 | 158.9 | -60.6 | -70 | 0 | 0 | 0 | 121.3 | ||||
| 15 | K | 35.9 | Very low | 34.5 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | -167.8 | 160.7 | 117.3 | -108.1 | 171 | -176.7 | 178.3 | 0 | 115.2 | |||||
| 16 | A | 36.3 | Very low | 34.8 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -66.8 | 160.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 17 | G | 30.1 | Very low | 33.9 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -92.3 | -147.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 18 | P | 54.8 | Low | 33.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | -140.1 | -175.8 | 14.5 | 43.6 | -25.8 | 0 | 0 | 0 | 117.3 | ||||
| 19 | S | 31.1 | Very low | 33.4 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 96.6 | 124.8 | 147.8 | -152.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 20 | C | 30.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | 43.7 | 146.8 | 155.6 | -64.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 21 | G | 28.5 | Very low | 33.4 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | cis | 152.6 | 141.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 22 | S | 33.6 | Very low | 33.2 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 92% | 0.923 | 80% | 0.797 | S | S | * | * | trans | 61.8 | 159.1 | -172.6 | 75.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 23 | G | 27.1 | Very low | 32.8 | Very low | 61 Ų | 61 | 137.2 Ų | 137.2 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | cis | 155.1 | 150.9 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 24 | W | 30.3 | Very low | 32.6 | Very low | 259 Ų | 259 | 137.7 Ų | 137.7 | 98% | 0.981 | 80% | 0.797 | S | S | * | * | trans | 73.8 | 116.9 | 168.4 | -62.2 | 84.6 | 0 | 0 | 0 | 120.1 | ||||
| 25 | F | 29.6 | Very low | 32.4 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 174.5 | 144.4 | -99 | -111.3 | 0 | 0 | 0 | 110.1 | ||||
| 26 | P | 45.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -135.3 | -175.8 | 14.7 | 42 | -24.5 | 0 | 0 | 0 | 115.4 | ||||
| 27 | G | 27.5 | Very low | 32.5 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 173.2 | 102 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | H | 31.3 | Very low | 32.6 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 137.5 | 164.3 | -120.9 | -105.3 | 0 | 0 | 0 | 108.7 | ||||
| 29 | E | 26.3 | Very low | 31.5 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -150.2 | 158.1 | 133.2 | -85.1 | -133.3 | 145.5 | 0 | 0 | 108.6 | ||||
| 30 | S | 38.8 | Very low | 31.4 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -135.7 | 130.3 | 179 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 31 | N | 27.2 | Very low | 31.4 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 138.1 | 157.8 | -105.7 | -39.9 | 0 | 0 | 0 | 112 | ||||
| 32 | W | 31 | Very low | 31.6 | Very low | 220 Ų | 220 | 146.8 Ų | 146.8 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -75.8 | 158.4 | 162.8 | -69.5 | 72 | 0 | 0 | 0 | 108.8 | ||||
| 33 | H | 27.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 178.4 | 124.4 | 111.7 | -94.7 | -67.3 | 0 | 0 | 0 | 111.2 | |||||
| 34 | S | 29.1 | Very low | 31.8 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -66.6 | 136 | 166.9 | -48.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 35 | N | 27.8 | Very low | 32 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -133 | 118.6 | 173.8 | -88.4 | -64.4 | 0 | 0 | 0 | 111.4 | ||||
| 36 | L | 32.9 | Very low | 32 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -121 | 145 | 149.6 | -110.4 | 80.5 | 0 | 0 | 0 | 106.6 | Y38 | L36-Y38 HydrophobicContact CD2-CD2 4.2Å; L36-Y38 HydrophobicContact CD2-CE2 3.91Å | ||
| 37 | P | 42 | Very low | 31.5 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -135.5 | 153.6 | 127.1 | 26.7 | -10.4 | 0 | 0 | 0 | 113.6 | |||||
| 38 | Y | 32.1 | Very low | 32 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 167.8 | 171 | -93 | -101.1 | 0 | 0 | 0 | 112.1 | L36 | L36-Y38 HydrophobicContact CD2-CD2 4.2Å; L36-Y38 HydrophobicContact CD2-CE2 3.91Å | ||
| 39 | S | 32.2 | Very low | 32.2 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -101.1 | 142 | -176.4 | -177.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 40 | G | 29.4 | Very low | 32.7 | Very low | 78 Ų | 78 | 145.2 Ų | 145.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 102 | 133.9 | 154 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 41 | G | 30.2 | Very low | 32.6 | Very low | 80 Ų | 80 | 146.3 Ų | 146.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 150.5 | 37.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 42 | R | 32.4 | Very low | 33.2 | Very low | 230 Ų | 230 | 145.4 Ų | 145.4 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | 13.2 | 142.6 | 154.2 | -88.4 | -173 | -175.8 | -138.1 | 2.7 | 122.3 | ||||
| 43 | I | 32.6 | Very low | 33.5 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 99.5 | 104.4 | 143.7 | -70.2 | 158.3 | 0 | 0 | 0 | 119.8 | ||||
| 44 | C | 32.9 | Very low | 34.1 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | 64 | 143.2 | 133.9 | -59.9 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 45 | D | 32.9 | Very low | 34.9 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 46.4 | 116.9 | 149.6 | -53.7 | -35.7 | 0 | 0 | 0 | 119.6 | ||||
| 46 | G | 30.7 | Very low | 35.6 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | 121.1 | 171.7 | 42.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 47 | R | 33.5 | Very low | 36.3 | Very low | 244 Ų | 244 | 135.7 Ų | 135.7 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | 69.5 | 84.7 | 169.1 | -169 | -179.1 | -97.4 | -98.5 | 3.2 | 119.5 | ||||
| 48 | R | 39.3 | Very low | 36.4 | Very low | 214 Ų | 214 | 135.7 Ų | 135.7 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | 34.1 | 129.9 | 113.4 | -80.3 | -173.6 | -177.3 | -90 | 3.6 | 121.5 | |||||
| 49 | Q | 34.8 | Very low | 36.8 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | 80.1 | 152.5 | 144.4 | -53.9 | -95.9 | 40.1 | 0 | 0 | 118.2 | ||||
| 50 | S | 37.2 | Very low | 37 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | cis | 177.7 | 174.2 | -28.8 | -95.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 51 | S | 36.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | 70 | 151.2 | 165.3 | 75.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 52 | V | 40.4 | Very low | 37.6 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | cis | -135 | 161.6 | 3.5 | -140.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 53 | S | 37.1 | Very low | 37.5 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -144.4 | -179.8 | 26.2 | -99.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 54 | D | 40.4 | Very low | 37.5 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | cis | 76 | 135.6 | 36.3 | -150.1 | 42.4 | 0 | 0 | 0 | 113.9 | ||||
| 55 | S | 45.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -143.8 | 148.6 | 12.1 | 59.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 56 | G | 42.6 | Very low | 37.8 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 66.1 | 133.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 57 | D | 47.7 | Very low | 37.9 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | cis | 61.8 | 134.7 | 2.2 | -143.7 | 30 | 0 | 0 | 0 | 115.6 | ||||
| 58 | T | 44.7 | Very low | 38.4 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | cis | -130.5 | -177.6 | 6.3 | 29.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 59 | G | 39.5 | Very low | 38.2 | Very low | 60 Ų | 60 | 123.2 Ų | 123.2 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | cis | 134.9 | 133.6 | -5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 60 | I | 36.7 | Very low | 38.3 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 93% | 0.928 | 75% | 0.753 | S | S | * | * | trans | 67.5 | 143.5 | 151.9 | -60.5 | 161.3 | 0 | 0 | 0 | 119.8 | ||||
| 61 | G | 34 | Very low | 38 | Very low | 60 Ų | 60 | 126 Ų | 126 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | trans | 143.9 | 73.7 | 145 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 62 | T | 37 | Very low | 37.8 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | 27.2 | 138.1 | 131.6 | 52 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 63 | Y | 31.7 | Very low | 37.3 | Very low | 206 Ų | 206 | 124.8 Ų | 124.8 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | 137.9 | 124 | 128.2 | -70.1 | -60.2 | 0 | 0 | 0 | 118.8 | |||||
| 64 | C | 32.4 | Very low | 37 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 67.1 | 125 | 134.4 | -64.7 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 65 | S | 36.8 | Very low | 36.5 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 77.7 | 112.8 | 130.4 | -56.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 66 | D | 34.5 | Very low | 35.8 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | -171.4 | 147.1 | 110.3 | -94.7 | -18.3 | 0 | 0 | 0 | 107.8 | |||||
| 67 | S | 33.3 | Very low | 35.4 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | cis | 90.9 | 89.6 | 21.5 | -165.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 68 | L | 43.5 | Very low | 35.2 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | -173.6 | 161.5 | 118.2 | -99.7 | 172.3 | 0 | 0 | 0 | 113.5 | |||||
| 69 | E | 35.2 | Very low | 34.4 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -60.3 | 151.8 | -173.1 | -58.7 | 152.6 | 145.3 | 0 | 0 | 115.7 | ||||
| 70 | D | 36.9 | Very low | 33.8 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | -150.1 | 151.1 | 116.5 | -152.6 | -6.1 | 0 | 0 | 0 | 109.8 | |||||
| 71 | D | 32.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | -120.5 | 148.5 | -160.7 | -123.8 | -32.6 | 0 | 0 | 0 | 112.7 | ||||
| 72 | S | 31.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 162.2 | 99.4 | 136.6 | -76.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 73 | C | 29.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | 24.7 | 159.3 | 122.1 | -66.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 74 | S | 31.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | 176.8 | 131.5 | -25.1 | -95.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 75 | S | 29.6 | Very low | 32.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -168 | 100.3 | 149.4 | 59 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 76 | A | 31.4 | Very low | 32.3 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | 87.2 | 99.4 | 81.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 77 | T | 34.6 | Very low | 32.1 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -70.7 | 174.8 | 167.2 | 41.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 78 | P | 42.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -146.9 | 167 | 25.6 | 42.6 | -21.5 | 0 | 0 | 0 | 121.3 | ||||
| 79 | L | 28.5 | Very low | 31.1 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -13.6 | 150.5 | 149.2 | -54.6 | 166.8 | 0 | 0 | 0 | 119.3 | ||||
| 80 | S | 26.5 | Very low | 30.8 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | -170.5 | 137.6 | 108.9 | -79.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 81 | S | 29 | Very low | 30.4 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 30.8 | 125.1 | 149.9 | 57.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 82 | L | 30.6 | Very low | 30.3 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | 62.5 | 112.5 | 68.3 | -81.6 | 162.8 | 0 | 0 | 0 | 116 | |||||
| 83 | L | 27.6 | Very low | 30.3 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | -164.9 | 172.5 | 104 | -139.3 | 81 | 0 | 0 | 0 | 112.6 | |||||
| 84 | L | 29.4 | Very low | 30.3 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -143.5 | 136.3 | 175.4 | 175.4 | 75 | 0 | 0 | 0 | 108 | ||||
| 85 | S | 29.6 | Very low | 30.1 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | 159.6 | 129 | 138.3 | -166.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 86 | Q | 32.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 25.3 | 137.5 | 141.2 | -52.9 | 175.6 | 10.7 | 0 | 0 | 123.4 | ||||
| 87 | H | 28.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | -144.6 | 162.4 | 119 | -159.9 | -92.8 | 0 | 0 | 0 | 110.9 | |||||
| 88 | N | 28.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -105.2 | 154.3 | 179.8 | -70 | -85.5 | 0 | 0 | 0 | 112.1 | ||||
| 89 | L | 29.6 | Very low | 29.9 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 179.2 | 155.3 | 107.5 | -120.6 | 87.5 | 0 | 0 | 0 | 114 | |||||
| 90 | N | 28 | Very low | 30 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -36.2 | 156.6 | 165.9 | -37.6 | -29.3 | 0 | 0 | 0 | 114.9 | ||||
| 91 | Q | 29.4 | Very low | 30.1 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | -161.8 | -151.9 | 63.5 | -159.6 | 156 | 4.1 | 0 | 0 | 113 | |||||
| 92 | E | 29.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | -129.2 | 170.9 | -146 | -143.4 | 173.8 | -161.3 | 0 | 0 | 113.2 | ||||
| 93 | E | 31.2 | Very low | 30 | Very low | 165 Ų | 165 | 138 Ų | 138 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | 77.4 | 151.9 | 156.9 | -74.5 | -70.9 | 87.7 | 0 | 0 | 123.5 | ||||
| 94 | D | 29.7 | Very low | 30.1 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -35.7 | 154.2 | -175.9 | -116.8 | -4.1 | 0 | 0 | 0 | 121.3 | ||||
| 95 | G | 26.9 | Very low | 30 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 161.8 | 93 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 96 | V | 36.4 | Very low | 29.8 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -118.2 | 136.2 | 161.5 | -164.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 97 | P | 40.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | -146.7 | 137.9 | 124.5 | 35.2 | -19.9 | 0 | 0 | 0 | 115.2 | |||||
| 98 | S | 28.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 58.5 | 155.4 | 133.8 | -62.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 99 | A | 28.6 | Very low | 30 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | -174.6 | 145.9 | -25.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 100 | L | 30.9 | Very low | 30.1 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | 167.1 | 131.8 | 150.1 | -94.8 | 153 | 0 | 0 | 0 | 109.6 | ||||
| 101 | A | 27.7 | Very low | 30.4 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | cis | -157.2 | 136.4 | -34.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | M | 30.2 | Very low | 30.4 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 39.9 | 116.3 | 141.2 | -57.5 | -168.6 | 75.4 | 0 | 0 | 120.1 | ||||
| 103 | S | 27.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 81.4 | 143.3 | 74.4 | -61.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 104 | S | 28.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | cis | -159.2 | 157.8 | 14.4 | -130.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 105 | A | 28 | Very low | 30.4 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 43.7 | 130.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 106 | S | 26.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | 171.6 | 126.6 | 93.8 | -168.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 107 | S | 28 | Very low | 30.1 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 70.4 | 144.9 | 148.4 | 79.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 108 | S | 29.2 | Very low | 30.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 106 | 150.5 | -152.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 109 | P | 36.1 | Very low | 30.2 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 133.8 | 166.9 | 34.5 | -30.7 | 0 | 0 | 0 | 112.4 | ||
| 110 | R | 31.6 | Very low | 30.2 | Very low | 245 Ų | 245 | 137.3 Ų | 137.3 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 121.8 | 171.6 | -68 | -171.8 | -179.1 | -139.4 | 1.5 | 111.2 | ||
| 111 | I | 33 | Very low | 30.4 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 137.3 | 172.6 | -66.2 | 175.9 | 0 | 0 | 0 | 109.8 | ||
| 112 | L | 30.1 | Very low | 30.9 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -93 | 102.1 | -176.7 | -137.2 | 163.7 | 0 | 0 | 0 | 110 | ||||
| 113 | L | 30.5 | Very low | 30.8 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 117.9 | 178.3 | -85.4 | 165 | 0 | 0 | 0 | 111.3 | ||||
| 114 | K | 30.2 | Very low | 31 | Very low | 203 Ų | 203 | 132.9 Ų | 132.9 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -100.7 | 115.6 | 168.7 | -172.3 | 169.2 | -177.4 | 173.3 | 0 | 109.5 | ||||
| 115 | M | 29.8 | Very low | 30.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 142.3 | -176.6 | -74.6 | -68.5 | -175.2 | 0 | 0 | 113 | ||||
| 116 | A | 25.6 | Very low | 30.8 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -145.4 | 141.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 117 | S | 30.9 | Very low | 30.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -131.9 | 173.3 | -173 | -43.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 118 | P | 42.5 | Very low | 31 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | -115.1 | 170 | -105.5 | 14.6 | 8.6 | 0 | 0 | 0 | 113.9 | |||||
| 119 | S | 28.2 | Very low | 31 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -78 | 139.5 | 169.2 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 120 | H | 30.4 | Very low | 30.7 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -94.9 | 142.6 | 167.5 | -76.9 | -82.8 | 0 | 0 | 0 | 111.1 | ||||
| 121 | S | 33.7 | Very low | 30.7 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -125.1 | 145.7 | 166.2 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 122 | P | 38.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -116.5 | 132.8 | 167.7 | 35.3 | -25.2 | 0 | 0 | 0 | 112.3 | ||||
| 123 | G | 28.8 | Very low | 30.6 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -88.2 | 161.6 | 165 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 124 | C | 31.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 163.2 | 173.6 | -74.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 125 | W | 26.2 | Very low | 30.5 | Very low | 237 Ų | 237 | 141.6 Ų | 141.6 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | -173.1 | 158.8 | 116.3 | -98 | 102.7 | 0 | 0 | 0 | 111.5 | |||||
| 126 | N | 26.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | trans | 72.2 | 104.6 | 156 | -80.8 | -14.8 | 0 | 0 | 0 | 122 | ||||
| 127 | M | 26.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | 146.5 | 143.2 | 91.6 | -96.2 | -67.7 | 147.5 | 0 | 0 | 114.5 | |||||
| 128 | S | 30.8 | Very low | 30.7 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -111.9 | 143.9 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 129 | R | 29 | Very low | 30.2 | Very low | 247 Ų | 247 | 141.3 Ų | 141.3 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -146.4 | 141.3 | 153.5 | -68.6 | -163.5 | -178.6 | -163.4 | 1.1 | 111 | ||||
| 130 | H | 31.5 | Very low | 30.1 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -88 | 141.8 | 166.7 | -72.2 | -98.1 | 0 | 0 | 0 | 110.9 | ||||
| 131 | I | 31.1 | Very low | 30.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -178.2 | 163.1 | 145.9 | -103.5 | 158.9 | 0 | 0 | 0 | 110.1 | ||||
| 132 | S | 28.7 | Very low | 30.3 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | -171.4 | 126.7 | -59.3 | -174 | 0 | 0 | 0 | 0 | 110 | |||||
| 133 | K | 31.8 | Very low | 30 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | 61.4 | 132.7 | 161 | -70.9 | 177.5 | 177.9 | -178.9 | 0 | 121.3 | ||||
| 134 | Q | 30.4 | Very low | 30.1 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | 69.6 | 158.6 | 143 | -70.5 | 172.9 | -26.2 | 0 | 0 | 120.2 | ||||
| 135 | A | 28.3 | Very low | 30.2 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | cis | 179 | 130.3 | -41.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 136 | T | 32 | Very low | 30.5 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | trans | -166.5 | 155.5 | 154.4 | 16.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 137 | S | 28.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -26.9 | 157.9 | 157.4 | 42.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 138 | S | 29.5 | Very low | 31.2 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | 179.6 | 158.5 | -2.5 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 139 | V | 31 | Very low | 31.3 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 68.8 | 138 | 154.8 | 165.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 140 | E | 26.8 | Very low | 31.6 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -149.4 | 170.6 | 9.2 | -144 | 156.5 | -153.3 | 0 | 0 | 112.6 | ||||
| 141 | A | 32.1 | Very low | 32.1 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | 48 | 120.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 142 | P | 35.8 | Very low | 33 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | -98.7 | 152.8 | 176.8 | 37.8 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 143 | S | 31.7 | Very low | 33.3 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -118 | 119.7 | 175.2 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 144 | S | 31.5 | Very low | 33.6 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 49.5 | 90.1 | 150.7 | 62.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 145 | L | 34.8 | Very low | 34 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | 60.1 | 143.2 | 126 | -128.8 | 75.2 | 0 | 0 | 0 | 123 | |||||
| 146 | D | 30.9 | Very low | 34.2 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -116.1 | 176.5 | 178.6 | 171.4 | 36.4 | 0 | 0 | 0 | 110.8 | ||||
| 147 | M | 36.3 | Very low | 34.1 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | 101.6 | 96 | 166.1 | -69.2 | -75.2 | 108.7 | 0 | 0 | 119.9 | ||||
| 148 | K | 32.1 | Very low | 34.5 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | 62.5 | 97.1 | 108.8 | -157.8 | 170.8 | -171.2 | 172.5 | 0 | 119.7 | |||||
| 149 | V | 32.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 44.4 | 109 | 140.4 | -161.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 150 | H | 35.5 | Very low | 34.9 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | 165 | 148.1 | 121.7 | -89.5 | -66.9 | 0 | 0 | 0 | 112.4 | |||||
| 151 | Q | 42.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 144 Ų | 144 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -155.6 | 161.3 | 167.6 | -110.4 | -169.2 | 35.2 | 0 | 0 | 108.3 | ||||
| 152 | P | 49.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | cis | -130.8 | -167.9 | 42.3 | 39.3 | -21 | 0 | 0 | 0 | 117.1 | ||||
| 153 | I | 36.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 65% | 0.646 | 76% | 0.764 | S | S | * | * | trans | -97.7 | 123.8 | -162.6 | -72.7 | 167.2 | 0 | 0 | 0 | 109.6 | ||||
| 154 | R | 36.3 | Very low | 35.5 | Very low | 230 Ų | 230 | 145.1 Ų | 145.1 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | 80.4 | 110.2 | 68.1 | -172.2 | -151.9 | -150.8 | -159.9 | 11.4 | 114.9 | |||||
| 155 | R | 40.5 | Very low | 35.5 | Very low | 248 Ų | 248 | 143.4 Ų | 143.4 | 94% | 0.936 | 76% | 0.763 | S | S | * | * | trans | -158 | 170.9 | 146.9 | -122.5 | 174.2 | 169 | 156.6 | -2.5 | 111.8 | ||||
| 156 | S | 32.2 | Very low | 35.5 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -158.2 | 137.1 | -145.2 | 55.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 157 | S | 28.8 | Very low | 35.5 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -175.7 | 139.6 | 144 | 43.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 158 | S | 38.7 | Very low | 35.5 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | 85 | 127.2 | 21.2 | 82.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 159 | F | 35.3 | Very low | 35.3 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | cis | -143.3 | 177.8 | 13.2 | -88.9 | -70.5 | 0 | 0 | 0 | 110.3 | ||||
| 160 | T | 32.7 | Very low | 35.3 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | cis | -125.9 | -168 | 21.7 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 161 | K | 38.7 | Very low | 35.1 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | cis | 77.2 | 147.4 | 13.6 | -86.5 | -179.1 | 173.1 | -177.5 | 0 | 116.8 | ||||
| 162 | L | 34.6 | Very low | 34.7 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | cis | -139 | -172.9 | 5 | -119.4 | -179.6 | 0 | 0 | 0 | 112.7 | ||||
| 163 | S | 33 | Very low | 33.9 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -118.3 | 154.5 | -166.5 | -179.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 164 | S | 33.5 | Very low | 33.5 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 45.9 | 118.5 | 146.5 | 60.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 165 | G | 31.5 | Very low | 33 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | 100.4 | 121.5 | 112.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 166 | V | 34.6 | Very low | 32.4 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | 78 | 145.3 | 150.4 | 166.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 167 | D | 29.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | trans | 83.1 | 108.3 | 162.2 | -87.6 | 4.5 | 0 | 0 | 0 | 123.9 | ||||
| 168 | K | 36.2 | Very low | 32.2 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | 62.3 | 88.1 | 125.8 | -62.3 | -179.4 | -174.3 | 83.3 | 0 | 120.6 | |||||
| 169 | S | 29 | Very low | 31.8 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 55 | 132.2 | 117.9 | 64.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 170 | S | 32.5 | Very low | 32.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 77 | 153.3 | 152.7 | 85.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 171 | T | 31.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -154.5 | 168.9 | 5.2 | -24.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 172 | K | 33.5 | Very low | 32.1 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | 75.2 | 147.5 | 154.8 | -68.5 | -178.4 | 179.5 | 178.1 | 0 | 117.6 | ||||
| 173 | T | 31.4 | Very low | 32.2 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | cis | -166 | 152.3 | -8.2 | 17.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 174 | S | 28.8 | Very low | 32.2 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 62 | 160 | 154.3 | -81.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 175 | S | 25.6 | Very low | 32.5 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -173.9 | 161.7 | -20.7 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 176 | Y | 27.6 | Very low | 32.7 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -145.3 | -165.9 | 8.6 | -167 | -114 | 0 | 0 | 0 | 110.5 | ||||
| 177 | C | 30.4 | Very low | 32.9 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 57% | 0.568 | 76% | 0.762 | S | S | * | * | trans | -84.7 | 160 | -179.3 | -48.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 178 | Y | 28.4 | Very low | 33.6 | Very low | 220 Ų | 220 | 136.1 Ų | 136.1 | 86% | 0.863 | 78% | 0.778 | S | S | * | * | -152.3 | 159.9 | 112.8 | -117 | -83.7 | 0 | 0 | 0 | 111.2 | |||||
| 179 | S | 28.6 | Very low | 33.5 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | -146.9 | -174.5 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 180 | P | 50.8 | Low | 33.9 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | cis | -134.5 | -175.4 | 2.3 | 43.1 | -25.6 | 0 | 0 | 0 | 114.8 | ||||
| 181 | G | 29.3 | Very low | 34 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 177.5 | 103.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 182 | A | 34 | Very low | 33.9 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 49 | 139.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 183 | E | 36.4 | Very low | 33.9 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | 8.8 | 149.7 | 134.8 | -57.7 | 173.5 | -159.4 | 0 | 0 | 120.5 | ||||
| 184 | G | 33 | Very low | 33.8 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | 176.2 | 150.5 | 2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 185 | S | 40.4 | Very low | 34 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -91 | 128.1 | -174.4 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 186 | L | 34.6 | Very low | 34.3 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -142 | 135.6 | 166.3 | -81.7 | -178.6 | 0 | 0 | 0 | 113.1 | ||||
| 187 | D | 40 | Very low | 34.4 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 165.8 | 163.7 | 174.2 | 39.5 | 0 | 0 | 0 | 110.7 | ||||
| 188 | R | 43.7 | Very low | 34.2 | Very low | 248 Ų | 248 | 150.9 Ų | 150.9 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -153.2 | 100.7 | 179.9 | -150.1 | -177.2 | -161.5 | -94.9 | 5.5 | 110.3 | ||||
| 189 | G | 35.2 | Very low | 34.3 | Very low | 51 Ų | 51 | 150.7 Ų | 150.7 | 53% | 0.526 | 80% | 0.795 | S | S | . | * | cis | -169.9 | 158.4 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 190 | V | 35.7 | Very low | 34.4 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | 63.4 | 118.1 | 81.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 191 | L | 34.4 | Very low | 33.7 | Very low | 141 Ų | 141 | 151 Ų | 151 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | cis | -156.2 | 159.3 | 4.8 | -114.3 | 170 | 0 | 0 | 0 | 106.9 | ||||
| 192 | H | 30.5 | Very low | 33.8 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | -178.1 | 162 | 72.3 | -129.3 | 32.8 | 0 | 0 | 0 | 109 | |||||
| 193 | G | 32.7 | Very low | 33.8 | Very low | 65 Ų | 65 | 157 Ų | 157 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | -146.6 | 147.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 194 | Y | 29.9 | Very low | 33.5 | Very low | 229 Ų | 229 | 154 Ų | 154 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -143.8 | 159.3 | 176.3 | -110.9 | -86.4 | 0 | 0 | 0 | 112.5 | ||||
| 195 | R | 33.8 | Very low | 33.4 | Very low | 223 Ų | 223 | 156.9 Ų | 156.9 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -128.9 | 143.8 | -173.2 | -156.2 | -145.6 | -57.5 | -144 | 7.6 | 111.6 | ||||
| 196 | K | 31.2 | Very low | 32.9 | Very low | 182 Ų | 182 | 161.7 Ų | 161.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 107.9 | 123.5 | 161.8 | -65.6 | 176.9 | 174.5 | 173.6 | 0 | 117.6 | ||||
| 197 | K | 28.5 | Very low | 32.7 | Very low | 197 Ų | 197 | 161 Ų | 161 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 133.8 | 139.4 | -71.6 | -169.2 | 172 | -170.7 | 0 | 121.8 | ||||
| 198 | R | 26.5 | Very low | 32.8 | Very low | 221 Ų | 221 | 159.4 Ų | 159.4 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -7.5 | 145.5 | 142.5 | -54.1 | -179.3 | -174.8 | -178.2 | -0.6 | 115.9 | ||||
| 199 | W | 30.8 | Very low | 32.1 | Very low | 216 Ų | 216 | 155.1 Ų | 155.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -147.2 | 162.6 | 38.2 | -106.7 | -42.1 | 0 | 0 | 0 | 113.2 | ||||
| 200 | D | 30.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 157.9 Ų | 157.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 59 | 144.2 | 146 | -56.8 | -10 | 0 | 0 | 0 | 120.7 | ||||
| 201 | S | 36.4 | Very low | 31.4 | Very low | 99 Ų | 99 | 156.8 Ų | 156.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | -158.1 | 156.5 | -5.1 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 202 | N | 32 | Very low | 31 | Very low | 142 Ų | 142 | 156.8 Ų | 156.8 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 68.2 | 133.8 | 154 | -79.6 | -44.9 | 0 | 0 | 0 | 123 | ||||
| 203 | I | 33.2 | Very low | 31.1 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 71.2 | 124.3 | 158.5 | -60.2 | 159.2 | 0 | 0 | 0 | 114.2 | ||||
| 204 | N | 29.2 | Very low | 31 | Very low | 135 Ų | 135 | 160.1 Ų | 160.1 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | -151.3 | 168.9 | 20.8 | -145.5 | -18.5 | 0 | 0 | 0 | 114.2 | ||||
| 205 | L | 30.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 154.9 Ų | 154.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 125.9 | 158.1 | -65.2 | 166.7 | 0 | 0 | 0 | 122.1 | ||||
| 206 | Y | 31 | Very low | 30.4 | Very low | 220 Ų | 220 | 148.2 Ų | 148.2 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | trans | 60.5 | 113.1 | 154.1 | -81.6 | -88.7 | 0 | 0 | 0 | 123 | ||||
| 207 | L | 29.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -169.3 | 170.8 | 164.5 | -98.7 | 178.6 | 0 | 0 | 0 | 107.5 | ||||
| 208 | P | 42.7 | Very low | 30.3 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -135.2 | 162.7 | -10.7 | 39.1 | -21.8 | 0 | 0 | 0 | 116.6 | ||||
| 209 | L | 28.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 32.4 | 137.6 | 135.6 | -61 | 165.3 | 0 | 0 | 0 | 124.2 | ||||
| 210 | S | 30.6 | Very low | 30.9 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -46.9 | 156 | 158.6 | -33.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 211 | S | 26.4 | Very low | 30.7 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 145 | 176.1 | 112.4 | 66.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 212 | T | 26.5 | Very low | 30.5 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | 79.9 | 164.8 | 169.3 | 14.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 213 | M | 31.7 | Very low | 31.3 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -129.9 | 174.4 | -157.7 | -66 | -167.6 | 70.2 | 0 | 0 | 113.7 | ||||
| 214 | N | 30.4 | Very low | 31 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 98.2 | 144.4 | 143.2 | -77.6 | -9.6 | 0 | 0 | 0 | 120.4 | ||||
| 215 | C | 23.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 72.7 | 142.6 | 162 | -62.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 216 | S | 27.2 | Very low | 30.9 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | cis | -173.2 | 127.8 | -20.5 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 217 | N | 28.1 | Very low | 31.7 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 61.5 | 175.2 | 148.6 | -48.2 | -15.2 | 0 | 0 | 0 | 116.8 | ||||
| 218 | F | 30.3 | Very low | 31.8 | Very low | 164 Ų | 164 | 131 Ų | 131 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | cis | -141.4 | 143.3 | 7.3 | -89.2 | -77.2 | 0 | 0 | 0 | 112.4 | ||||
| 219 | L | 33.3 | Very low | 31.1 | Very low | 141 Ų | 141 | 137 Ų | 137 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 56.8 | 129.6 | 147.2 | -54.1 | 170.2 | 0 | 0 | 0 | 120 | ||||
| 220 | L | 35.6 | Very low | 31.2 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | 71.3 | 117.8 | 48.7 | -76.5 | 163 | 0 | 0 | 0 | 116.2 | ||||
| 221 | R | 28.1 | Very low | 31 | Very low | 243 Ų | 243 | 144.4 Ų | 144.4 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -151 | 151.2 | 140.7 | -160.5 | 167.6 | -178.7 | 171.4 | 1.7 | 111.5 | ||||
| 222 | S | 30.6 | Very low | 31.4 | Very low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -135 | -173.5 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 223 | P | 49.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | -118.8 | 176.7 | -75.4 | 37.4 | -24.6 | 0 | 0 | 0 | 112.8 | |||||
| 224 | G | 27.5 | Very low | 31.5 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -87.1 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 225 | A | 31.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -120.2 | 176.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 226 | E | 26.7 | Very low | 32 | Very low | 179 Ų | 179 | 151.1 Ų | 151.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -45.9 | 177.8 | 161.4 | -103.3 | -168.4 | 179.2 | 0 | 0 | 116.1 | ||||
| 227 | P | 47.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -135.1 | -173.6 | -2.4 | 24.1 | 1.4 | 0 | 0 | 0 | 115.9 | ||||
| 228 | S | 30.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -69.3 | 167.9 | 179 | -36.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 229 | Y | 29.3 | Very low | 32.5 | Very low | 230 Ų | 230 | 148.3 Ų | 148.3 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -142.6 | 166.7 | 140.9 | -137.9 | -102.8 | 0 | 0 | 0 | 113.1 | ||||
| 230 | R | 29.8 | Very low | 32.7 | Very low | 223 Ų | 223 | 149.7 Ų | 149.7 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -118.9 | 156 | -175.3 | -62.9 | -174.1 | -70.4 | -167.8 | -4.3 | 111.9 | ||||
| 231 | Y | 27.1 | Very low | 32.3 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -150.8 | 176.9 | 142.1 | -134.3 | -102.3 | 0 | 0 | 0 | 113.2 | H233 | Y231-H233 AromaticContact CE1-CD2 3.7Å; Y231-H233 AromaticContact CE1-NE2 3.46Å; Y231-H233 WeakPolarHBondContact CE1-NE2 3.24Å | ||
| 232 | K | 34.1 | Very low | 32.5 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -142.1 | -168.5 | -167.5 | -92.1 | -74 | -172.6 | -179.7 | 0 | 112.1 | ||||
| 233 | H | 29.9 | Very low | 32.5 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | 98.6 | 131.7 | 177.4 | -49.7 | -60.6 | 0 | 0 | 0 | 114.3 | Y231 | Y231-H233 AromaticContact CE1-CD2 3.7Å; Y231-H233 AromaticContact CE1-NE2 3.46Å; Y231-H233 WeakPolarHBondContact CE1-NE2 3.24Å | ||
| 234 | S | 31.6 | Very low | 31.7 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | cis | 121 | 111.4 | -5.6 | -69 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 235 | N | 30.9 | Very low | 32 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -177.9 | 146.2 | 147.1 | -91 | -31 | 0 | 0 | 0 | 108.3 | ||||
| 236 | R | 33.1 | Very low | 32.8 | Very low | 221 Ų | 221 | 150.7 Ų | 150.7 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | cis | 104.9 | 132.2 | 23 | -173.4 | -172.8 | -154 | -88.7 | 2.1 | 111.6 | ||||
| 237 | S | 34.9 | Very low | 32.7 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | cis | 179.9 | 138.1 | -27.4 | 56 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 238 | T | 32 | Very low | 31.8 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | trans | -167.7 | 146.1 | 165.5 | 19.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 239 | G | 29.2 | Very low | 31.6 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | cis | -162.7 | 173.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 240 | L | 37.8 | Very low | 31.5 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -78.1 | 166.7 | -171.8 | -64.9 | 136.7 | 0 | 0 | 0 | 113.7 | ||||
| 241 | K | 28 | Very low | 31.5 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -141.4 | 155 | 28 | -62.7 | 172.9 | 179.8 | 178.7 | 0 | 111 | ||||
| 242 | T | 31.1 | Very low | 31.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | 52 | 130 | 74.1 | 5.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 243 | D | 29.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | cis | -133.6 | -163.2 | 36 | -67.3 | -53.4 | 0 | 0 | 0 | 117.3 | ||||
| 244 | L | 33.9 | Very low | 31.7 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -109.4 | 140 | -157.4 | -70 | 157.8 | 0 | 0 | 0 | 113.2 | ||||
| 245 | S | 32.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | 63.9 | 158 | 81.4 | -56.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 246 | P | 48.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | cis | -140.9 | 179 | 13.3 | 45 | -27.6 | 0 | 0 | 0 | 117.6 | ||||
| 247 | S | 25.2 | Very low | 30.8 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 170 | 104.1 | 140.1 | -77.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 248 | S | 27.7 | Very low | 30.5 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 61.3 | 125.2 | 97.7 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 249 | S | 27.2 | Very low | 30.1 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -154.5 | 146.8 | 45.9 | -74.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 250 | H | 27.5 | Very low | 29.8 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | 27.3 | 144.4 | 132.2 | -47.8 | -64 | 0 | 0 | 0 | 121.7 | ||||
| 251 | S | 28.6 | Very low | 29.3 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -171.3 | 157.8 | -9.7 | 44.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 252 | S | 24.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -79.9 | 172.4 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 253 | P | 42.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | -152.5 | 142.5 | 87.5 | 37.8 | -17.9 | 0 | 0 | 0 | 119.1 | |||||
| 254 | V | 27.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | 68.3 | 110 | 129.8 | 178.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 255 | K | 28 | Very low | 28.4 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 49 | 146.4 | 136.2 | -53.8 | 175.2 | -178.3 | -175.3 | 0 | 120.9 | ||||
| 256 | Y | 26.9 | Very low | 28.2 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | cis | -127.9 | 169.2 | -7 | -72.7 | -88.3 | 0 | 0 | 0 | 106.4 | ||||
| 257 | S | 23.4 | Very low | 27.3 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -174.8 | 152 | 45.7 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 258 | L | 27.9 | Very low | 27.3 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 38.8 | 124.4 | 153.6 | -72.5 | 165.5 | 0 | 0 | 0 | 123.5 | ||||
| 259 | S | 23.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 93.2 | 138.5 | 140.2 | -61.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 260 | C | 23.3 | Very low | 27.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -67 | 167.2 | 179.6 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 261 | S | 26.8 | Very low | 27.4 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -162.2 | 160.4 | 35.2 | 56.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 262 | S | 26.8 | Very low | 27.2 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 44.4 | 116.6 | 147.3 | 59.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 263 | F | 24.7 | Very low | 27.4 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -54.4 | 154.6 | 155 | -74.9 | -102.2 | 0 | 0 | 0 | 112.8 | ||||
| 264 | H | 29.7 | Very low | 26.8 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | -157.6 | 110.9 | 128.2 | -100.4 | -69.4 | 0 | 0 | 0 | 110.7 | |||||
| 265 | E | 23.1 | Very low | 26.8 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -150.4 | 100.8 | 160.2 | -169.5 | -174.5 | -175.7 | 0 | 0 | 110.4 | ||||
| 266 | T | 28.6 | Very low | 26.7 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | -142.3 | 128.3 | 157.6 | 42.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 267 | K | 30.1 | Very low | 26.7 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -59.6 | 149.5 | -176.8 | -60.2 | 158.3 | -178.2 | 171.8 | 0 | 112.4 | ||||
| 268 | D | 25.5 | Very low | 26.9 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -129.6 | 148.9 | 141 | -131.3 | -29.4 | 0 | 0 | 0 | 108.1 | ||||
| 269 | S | 28.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -149.4 | 115.9 | -166.4 | 65 | 0 | 0 | 0 | 0 | 116 | ||||
| 270 | G | 26.7 | Very low | 26.9 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 91.9 | 142.3 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 271 | K | 27.4 | Very low | 27.1 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | cis | -148.8 | 155 | 4.4 | -70.8 | -176.6 | 176.1 | -179.3 | 0 | 111.6 | ||||
| 272 | G | 25.5 | Very low | 26.9 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 87.7 | 138.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 273 | Q | 29.3 | Very low | 26.8 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | cis | -156 | 156.4 | 42.1 | -174.6 | 166.2 | -14.1 | 0 | 0 | 111 | ||||
| 274 | Q | 28.7 | Very low | 26.9 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -70.7 | 143.3 | 169.6 | -75.8 | 178.2 | -20.4 | 0 | 0 | 110.6 | ||||
| 275 | I | 28.3 | Very low | 26.8 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -117.9 | 114.3 | 172.1 | -62 | 174.5 | 0 | 0 | 0 | 108.4 | ||||
| 276 | C | 26.6 | Very low | 26.9 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 92% | 0.919 | 81% | 0.812 | S | S | * | * | trans | -96.7 | 119.3 | 144.4 | -72.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 277 | G | 25.9 | Very low | 27.4 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | -95.8 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 278 | L | 27.8 | Very low | 27.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -156.8 | 147.8 | 159.6 | -115.8 | 177.7 | 0 | 0 | 0 | 111.5 | ||||
| 279 | H | 25.5 | Very low | 27.7 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | trans | 91 | 115 | 165.9 | -58.6 | -62.3 | 0 | 0 | 0 | 122 | ||||
| 280 | S | 25.8 | Very low | 27.9 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 79.6 | 91.7 | 138.1 | -92.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 281 | S | 27 | Very low | 28.3 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | 47.4 | 120.3 | 109.2 | 65.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 282 | S | 23.1 | Very low | 28.7 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -117 | -178.5 | 162.5 | 49 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 283 | W | 25.2 | Very low | 29 | Very low | 254 Ų | 254 | 143 Ų | 143 | 96% | 0.962 | 80% | 0.798 | S | S | * | * | trans | 74.3 | 140.3 | -175.4 | -52.8 | 56.2 | 0 | 0 | 0 | 113.4 | ||||
| 284 | G | 27.3 | Very low | 29.3 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -166.8 | -173.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 285 | D | 26 | Very low | 30.1 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -53.1 | -178.8 | -163.3 | -58.5 | -57.3 | 0 | 0 | 0 | 121.1 | ||||
| 286 | W | 25.4 | Very low | 30.7 | Very low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | 106.8 | 138.1 | 160.2 | -66.3 | 84.5 | 0 | 0 | 0 | 117.2 | ||||
| 287 | P | 39.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | cis | -132.3 | -172.2 | -43.6 | 39.9 | -25.3 | 0 | 0 | 0 | 112.9 | ||||
| 288 | V | 35.7 | Very low | 33 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 141.8 | 172.8 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 289 | A | 27.1 | Very low | 34.8 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -124.7 | 139.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 290 | E | 32 | Very low | 36.6 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 163.6 | -175.2 | -62.3 | 178.3 | 122.5 | 0 | 0 | 112.9 | ||
| 291 | N | 36.6 | Very low | 38.6 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.8 | -178.9 | -62.8 | -77.7 | 0 | 0 | 0 | 113.3 | ||
| 292 | P | 35.7 | Very low | 40.7 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 127.2 | 149 | 33.5 | -26.1 | 0 | 0 | 0 | 111 | ||
| 293 | D | 30.6 | Very low | 43 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 158.8 | 173.4 | -172.7 | 28.1 | 0 | 0 | 0 | 112.1 | ||
| 294 | R | 36.7 | Very low | 45.5 | Very low | 224 Ų | 224 | 129.3 Ų | 129.3 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | 25.9 | 129.2 | 163.4 | -80.3 | 160.2 | -169.1 | -90.3 | -5.6 | 119.9 | ||||
| 295 | G | 45.6 | Very low | 47.5 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | 145.3 | 17.6 | 116.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 296 | M | 39.2 | Very low | 49.9 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 82% | 0.823 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -135.5 | 152.6 | 173.5 | -81.1 | -73.7 | 104.1 | 0 | 0 | 112.5 | I298 | M296-I298 PolarHBondContact O-N 2.61Š|
| 297 | P | 45.9 | Very low | 52.3 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | trans | -70.8 | 113.7 | -177.8 | 28.1 | -33.9 | 0 | 0 | 0 | 111.7 | ||||
| 298 | I | 56.3 | Low | 53.7 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 55% | 0.554 | 67% | 0.673 | S | S | * | * | trans | -65.5 | 130.8 | 179.6 | -60.6 | 174.5 | 0 | 0 | 0 | 110.2 | M296 V302 M306 | M296-I298 PolarHBondContact O-N 2.61Å; I298-V302 HydrophobicContact CG2-CB 3.67Å; I298-V302 HydrophobicContact CG2-CG1 3.64Å; I298-M306 HydrophobicContact CD1-SD 4.4Å | ||
| 299 | Q | 65.8 | Low | 55.5 | Low | 137 Ų | 137 | 122.4 Ų | 122.4 | 64% | 0.64 | 66% | 0.657 | S | S | * | * | trans | -62 | 148.1 | 179.4 | -73.3 | -169.1 | -6.4 | 0 | 0 | 112.3 | A301 V302 R303 | Q299-A301 VanDerWaalsContact C-N 3.27Å; Q299-A301 PolarHBondContact O-N 3.28Å; Q299-V302 HydrophobicContact CB-CG2 4.46Å; Q299-V302 PolarHBondContact O-N 3.46Å; Q299-R303 PolarHBondContact O-N 3.2Å | ||
| 300 | P | 62.8 | Low | 57.4 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -53.6 | -39 | 179.8 | -28.3 | 35.5 | 0 | 0 | 0 | 114.2 | V302 R303 T304 | P300-V302 PolarHBondContact O-N 3.23Å; P300-R303 WeakPolarHBondContact O-CB 3.38Å; P300-R303 PolarHBondContact O-N 3.1Å; P300-T304 PolarHBondContact O-N 2.97Å; P300-T304 PolarHBondContact O-OG1 3.15Å; P300-T304 VanDerWaalsContact O-OG1 3.12Å |
| 301 | A | 66.4 | Low | 58.4 | Low | 67 Ų | 67 | 120.2 Ų | 120.2 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.9 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q299 R303 T304 Q305 | Q299-A301 VanDerWaalsContact C-N 3.27Å; Q299-A301 PolarHBondContact O-N 3.28Å; A301-R303 VanDerWaalsContact C-N 3.34Å; A301-T304 PolarHBondContact O-N 3.08Å; A301-Q305 WeakPolarHBondContact O-CB 3.43Å; A301-Q305 PolarHBondContact O-N 3.06Å |
| 302 | V | 71.4 | Confident | 58.8 | Low | 65 Ų | 65 | 120 Ų | 120 | 39% | 0.394 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.8 | -34.8 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | I298 Q299 P300 Q305 M306 | I298-V302 HydrophobicContact CG2-CB 3.67Å; I298-V302 HydrophobicContact CG2-CG1 3.64Å; Q299-V302 HydrophobicContact CB-CG2 4.46Å; Q299-V302 PolarHBondContact O-N 3.46Å; P300-V302 PolarHBondContact O-N 3.23Å; V302-Q305 PolarHBondContact O-N 3.42Å; V302-M306 WeakPolarHBondContact O-CB 3.41Å; V302-M306 WeakPolarHBondContact O-CG 3.19Å; V302-M306 PolarHBondContact O-N 3.22Å |
| 303 | R | 72.3 | Confident | 59.1 | Low | 187 Ų | 187 | 121.2 Ų | 121.2 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.3 | -45.8 | 173 | -166.4 | -172.4 | -164.6 | 116.1 | 3.9 | 112 | Q299 P300 A301 Q305 M306 W307 | Q299-R303 PolarHBondContact O-N 3.2Å; P300-R303 WeakPolarHBondContact O-CB 3.38Å; P300-R303 PolarHBondContact O-N 3.1Å; A301-R303 VanDerWaalsContact C-N 3.34Å; R303-Q305 VanDerWaalsContact C-N 3.31Å; R303-M306 PolarHBondContact O-N 2.83Å; R303-W307 WeakPolarHBondContact O-CB 3.25Å; R303-W307 PolarHBondContact O-N 3.03Å |
| 304 | T | 76.6 | Confident | 59.4 | Low | 79 Ų | 79 | 124.4 Ų | 124.4 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.7 | -38 | 175.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | P300 A301 W307 L308 | P300-T304 PolarHBondContact O-N 2.97Å; P300-T304 PolarHBondContact O-OG1 3.15Å; P300-T304 VanDerWaalsContact O-OG1 3.12Å; A301-T304 PolarHBondContact O-N 3.08Å; T304-W307 PolarHBondContact O-N 2.9Å; T304-L308 HydrophobicContact CG2-CD1 4.09Å; T304-L308 HydrophobicContact CG2-CG 4.45Å; T304-L308 WeakPolarHBondContact O-CB 3.36Å; T304-L308 VanDerWaalsContact O-CG 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.4Å; T304-L308 PolarHBondContact O-N 3.46Å |
| 305 | Q | 71.2 | Confident | 59.4 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.7 | -44.1 | 177 | -168.3 | 172.2 | 0.9 | 0 | 0 | 111.9 | A301 V302 R303 L308 T309 | A301-Q305 WeakPolarHBondContact O-CB 3.43Å; A301-Q305 PolarHBondContact O-N 3.06Å; V302-Q305 PolarHBondContact O-N 3.42Å; R303-Q305 VanDerWaalsContact C-N 3.31Å; Q305-L308 PolarHBondContact O-N 3.37Å; Q305-T309 PolarHBondContact O-N 3.48Å; Q305-T309 PolarHBondContact O-OG1 3.32Å |
| 306 | M | 74.6 | Confident | 58.8 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -56.8 | -49.7 | 170.6 | -80.6 | 176.9 | 61.8 | 0 | 0 | 111.6 | I298 V302 R303 L308 T309 E310 | I298-M306 HydrophobicContact CD1-SD 4.4Å; V302-M306 WeakPolarHBondContact O-CB 3.41Å; V302-M306 WeakPolarHBondContact O-CG 3.19Å; V302-M306 PolarHBondContact O-N 3.22Å; R303-M306 PolarHBondContact O-N 2.83Å; M306-L308 VanDerWaalsContact C-N 3.34Å; M306-L308 PolarHBondContact O-N 2.8Å; M306-T309 WeakPolarHBondContact O-CB 3.36Å; M306-T309 PolarHBondContact O-N 3.04Å; M306-T309 VanDerWaalsContact O-N 3.11Å; M306-E310 WeakPolarHBondContact O-CB 3.22Å; M306-E310 PolarHBondContact O-N 2.94Å |
| 307 | W | 76.7 | Confident | 58.5 | Low | 137 Ų | 137 | 125.7 Ų | 125.7 | 52% | 0.519 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.5 | -41.7 | 180 | -179.1 | 73.5 | 0 | 0 | 0 | 112 | R303 T304 T309 E310 Q311 | R303-W307 WeakPolarHBondContact O-CB 3.25Å; R303-W307 PolarHBondContact O-N 3.03Å; T304-W307 PolarHBondContact O-N 2.9Å; W307-T309 VanDerWaalsContact C-N 3.33Å; W307-T309 PolarHBondContact O-N 2.76Å; W307-E310 WeakPolarHBondContact O-CB 3.46Å; W307-E310 PolarHBondContact O-N 3.36Å; W307-Q311 HydrophobicContact CD2-CG 4.13Å; W307-Q311 HydrophobicContact CE3-CG 4.46Å; W307-Q311 HydrophobicContact CH2-CG 4.17Å; W307-Q311 HydrophobicContact CZ2-CG 3.81Å; W307-Q311 HydrophobicContact CZ3-CG 4.48Å; W307-Q311 WeakPolarHBondContact O-CG 3.39Å; W307-Q311 PolarHBondContact O-N 3.28Å |
| 308 | L | 69.1 | Low | 57.8 | Low | 94 Ų | 94 | 128.5 Ų | 128.5 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.2 | -36.3 | 173.7 | -73.2 | 170.1 | 0 | 0 | 0 | 112.4 | T304 Q305 M306 M312 | T304-L308 HydrophobicContact CG2-CD1 4.09Å; T304-L308 HydrophobicContact CG2-CG 4.45Å; T304-L308 WeakPolarHBondContact O-CB 3.36Å; T304-L308 VanDerWaalsContact O-CG 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.4Å; T304-L308 PolarHBondContact O-N 3.46Å; Q305-L308 PolarHBondContact O-N 3.37Å; M306-L308 VanDerWaalsContact C-N 3.34Å; M306-L308 PolarHBondContact O-N 2.8Å; L308-M312 WeakPolarHBondContact O-CB 3.37Å; L308-M312 WeakPolarHBondContact O-CG 3.29Å; L308-M312 PolarHBondContact O-N 3.45Å; L308-M312 VanDerWaalsContact O-N 3.13Å |
| 309 | T | 73.4 | Confident | 56.5 | Low | 77 Ų | 77 | 129.9 Ų | 129.9 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.9 | -46.9 | 173 | -57.8 | 0 | 0 | 0 | 0 | 111 | Q305 M306 W307 Q311 M312 E313 | Q305-T309 PolarHBondContact O-N 3.48Å; Q305-T309 PolarHBondContact O-OG1 3.32Å; M306-T309 WeakPolarHBondContact O-CB 3.36Å; M306-T309 PolarHBondContact O-N 3.04Å; M306-T309 VanDerWaalsContact O-N 3.11Å; W307-T309 VanDerWaalsContact C-N 3.33Å; W307-T309 PolarHBondContact O-N 2.76Å; T309-Q311 VanDerWaalsContact C-N 3.34Å; T309-Q311 PolarHBondContact O-N 2.83Å; T309-M312 CarbonylContact O-C 3.57Å; T309-M312 WeakPolarHBondContact O-CA 3.23Å; T309-M312 PolarHBondContact O-N 3.2Å; T309-E313 WeakPolarHBondContact O-CB 3.43Å; T309-E313 PolarHBondContact O-N 2.83Å |
| 310 | E | 65.9 | Low | 54.8 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -58 | -41 | 176.3 | -178.7 | -179.4 | -148.9 | 0 | 0 | 112.2 | M306 W307 E313 | M306-E310 WeakPolarHBondContact O-CB 3.22Å; M306-E310 PolarHBondContact O-N 2.94Å; W307-E310 WeakPolarHBondContact O-CB 3.46Å; W307-E310 PolarHBondContact O-N 3.36Å; E310-E313 PolarHBondContact O-N 2.79Å |
| 311 | Q | 52.8 | Low | 53.1 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 51% | 0.505 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.2 | -31.4 | 173.1 | -64.7 | -45.6 | -81.4 | 0 | 0 | 113.1 | W307 T309 | W307-Q311 HydrophobicContact CD2-CG 4.13Å; W307-Q311 HydrophobicContact CE3-CG 4.46Å; W307-Q311 HydrophobicContact CH2-CG 4.17Å; W307-Q311 HydrophobicContact CZ2-CG 3.81Å; W307-Q311 HydrophobicContact CZ3-CG 4.48Å; W307-Q311 WeakPolarHBondContact O-CG 3.39Å; W307-Q311 PolarHBondContact O-N 3.28Å; T309-Q311 VanDerWaalsContact C-N 3.34Å; T309-Q311 PolarHBondContact O-N 2.83Å |
| 312 | M | 46.2 | Very low | 51.2 | Low | 159 Ų | 159 | 132.3 Ų | 132.3 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -84.2 | -16.5 | 178.9 | -70.4 | -70.6 | -67.7 | 0 | 0 | 113.5 | L308 T309 Y314 | L308-M312 WeakPolarHBondContact O-CB 3.37Å; L308-M312 WeakPolarHBondContact O-CG 3.29Å; L308-M312 PolarHBondContact O-N 3.45Å; L308-M312 VanDerWaalsContact O-N 3.13Å; T309-M312 CarbonylContact O-C 3.57Å; T309-M312 WeakPolarHBondContact O-CA 3.23Å; T309-M312 PolarHBondContact O-N 3.2Å; M312-Y314 VanDerWaalsContact C-N 3.27Å; M312-Y314 PolarHBondContact O-N 3.03Å |
| 313 | E | 42.6 | Very low | 49.5 | Very low | 147 Ų | 147 | 137 Ų | 137 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -0.7 | -179.8 | -160.5 | 158.9 | -134 | 0 | 0 | 113.1 | T309 E310 R315 | T309-E313 WeakPolarHBondContact O-CB 3.43Å; T309-E313 PolarHBondContact O-N 2.83Å; E310-E313 PolarHBondContact O-N 2.79Å; E313-R315 PolarHBondContact O-N 3.07Å |
| 314 | Y | 35.9 | Very low | 48 | Very low | 204 Ų | 204 | 133.8 Ų | 133.8 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | trans | -69.8 | 67.7 | 173.3 | -159.8 | -92.4 | 0 | 0 | 0 | 112.6 | M312 P316 | M312-Y314 VanDerWaalsContact C-N 3.27Å; M312-Y314 PolarHBondContact O-N 3.03Å; Y314-P316 WeakPolarHBondContact O-CD 3.37Å | ||
| 315 | R | 37.1 | Very low | 45.8 | Very low | 206 Ų | 206 | 133 Ų | 133 | 78% | 0.777 | 69% | 0.687 | S | S | * | * | trans | -82.6 | 120.7 | 168 | -70.2 | -79.5 | -175.2 | 136.9 | 1.6 | 108.6 | E313 K317 | E313-R315 PolarHBondContact O-N 3.07Å; R315-K317 VanDerWaalsContact C-N 3.27Å; R315-K317 PolarHBondContact O-N 2.91Å | ||
| 316 | P | 33.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | -67.5 | 88.4 | 166.2 | -17.1 | 32.1 | 0 | 0 | 0 | 109.4 | Y314 L318 | Y314-P316 WeakPolarHBondContact O-CD 3.37Å; P316-L318 PolarHBondContact O-N 3.46Å; P316-L318 VanDerWaalsContact O-N 3.09Å | ||
| 317 | K | 31.2 | Very low | 41.7 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 102.7 | 175 | -86.6 | -174.2 | 159.8 | -157.1 | 0 | 109.8 | R315 E319 | R315-K317 VanDerWaalsContact C-N 3.27Å; R315-K317 PolarHBondContact O-N 2.91Å; K317-E319 WeakPolarHBondContact CD-OE1 3.35Å; K317-E319 WeakPolarHBondContact CE-OE1 3.44Å; K317-E319 IonicContact NZ-OE1 2.72Å; K317-E319 PolarHBondContact NZ-OE1 3.35Å; K317-E319 PolarHBondContact O-N 3.45Å | ||
| 318 | L | 31.2 | Very low | 39.4 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 93% | 0.932 | 73% | 0.728 | S | S | * | * | trans | -74.6 | 72.6 | 158.8 | -175.6 | 67.8 | 0 | 0 | 0 | 108.8 | P316 | P316-L318 PolarHBondContact O-N 3.46Å; P316-L318 VanDerWaalsContact O-N 3.09Å | ||
| 319 | E | 29 | Very low | 37.5 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -81.4 | 137.5 | 166.5 | -90.6 | 171.3 | -164.5 | 0 | 0 | 109.7 | K317 G321 | K317-E319 WeakPolarHBondContact CD-OE1 3.35Å; K317-E319 WeakPolarHBondContact CE-OE1 3.44Å; K317-E319 IonicContact NZ-OE1 2.72Å; K317-E319 PolarHBondContact NZ-OE1 3.35Å; K317-E319 PolarHBondContact O-N 3.45Å; E319-G321 PolarHBondContact O-N 2.79Å | ||
| 320 | S | 31.7 | Very low | 35.9 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -78 | 84.9 | -174.2 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | N322 | S320-N322 PolarHBondContact O-N 2.86Š| ||
| 321 | G | 27.1 | Very low | 34.2 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | -78.7 | 106.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E319 | E319-G321 PolarHBondContact O-N 2.79Š| ||
| 322 | N | 25.8 | Very low | 33 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -120.6 | 77.5 | 159.3 | -80.9 | -27.2 | 0 | 0 | 0 | 109 | S320 | S320-N322 PolarHBondContact O-N 2.86Š| ||
| 323 | E | 36.2 | Very low | 32.4 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | -4.2 | 158.3 | 144.6 | -78.3 | -75.8 | 123 | 0 | 0 | 118.8 | ||||
| 324 | P | 40.5 | Very low | 31.7 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -147.1 | 163.7 | 29.4 | 40.1 | -20.2 | 0 | 0 | 0 | 120.6 | ||||
| 325 | G | 30.3 | Very low | 31.4 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | 62.6 | 162 | 129.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 326 | Q | 32.2 | Very low | 31 | Very low | 194 Ų | 194 | 124.6 Ų | 124.6 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | cis | -165.8 | 162.9 | -4.2 | -116.7 | -171.7 | 21.7 | 0 | 0 | 111.7 | ||||
| 327 | A | 26.6 | Very low | 30.9 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 69.9 | 158.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 328 | S | 30.2 | Very low | 31 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -149.4 | 156.7 | 7.2 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 329 | S | 27.7 | Very low | 30.9 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -75.2 | -173.8 | 168.4 | -36.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 330 | P | 40.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | cis | -135.1 | -174.7 | -1.1 | 43.3 | -25.5 | 0 | 0 | 0 | 115.9 | ||||
| 331 | G | 30.1 | Very low | 31.2 | Very low | 74 Ų | 74 | 122.4 Ų | 122.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -165.6 | 146.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 332 | T | 28.4 | Very low | 31.7 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -134.6 | 162.7 | -165.9 | -27.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 333 | E | 32.3 | Very low | 32.2 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | 67.5 | 155.3 | 168.2 | -66.3 | 148.8 | -118 | 0 | 0 | 115.2 | ||||
| 334 | D | 28.1 | Very low | 32.2 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | cis | -175.8 | 151.2 | -23.7 | -178.6 | 53.3 | 0 | 0 | 0 | 105.1 | ||||
| 335 | G | 29.3 | Very low | 32.1 | Very low | 58 Ų | 58 | 128.8 Ų | 128.8 | 60% | 0.598 | 81% | 0.805 | S | S | * | * | cis | -176.2 | 150.1 | -9.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 336 | G | 28.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 73.8 | 171.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 337 | V | 32.7 | Very low | 33 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | cis | -150.2 | 125.2 | -3.4 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 338 | N | 32.4 | Very low | 33.5 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | 54.9 | 146.5 | 162.1 | -55.2 | -15.1 | 0 | 0 | 0 | 119.3 | ||||
| 339 | G | 29.4 | Very low | 34.1 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -167.9 | 161.8 | -5.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 340 | L | 36.9 | Very low | 34.8 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | -154.9 | 154.4 | 57.5 | -88.8 | 161.6 | 0 | 0 | 0 | 111.5 | |||||
| 341 | T | 30.7 | Very low | 34.9 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -100.3 | 110.6 | -172 | -46.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 342 | L | 36.6 | Very low | 35.4 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -155.9 | 57.7 | 162.9 | -154.5 | 75.8 | 0 | 0 | 0 | 115.4 | ||||
| 343 | S | 36.3 | Very low | 36.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -161 | 86.3 | 163.4 | -86.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 344 | H | 37.8 | Very low | 36.9 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -146.3 | 38.1 | 178.5 | -149.9 | -70.2 | 0 | 0 | 0 | 113.5 | ||||
| 345 | Q | 36.5 | Very low | 37.5 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -136.9 | 5.5 | -177.2 | -158.1 | 156.9 | 12.4 | 0 | 0 | 115.8 | ||
| 346 | E | 34.7 | Very low | 38.1 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -115.7 | 3.7 | 179.9 | -115.6 | 171.5 | -174.4 | 0 | 0 | 115.4 | R374 | E346-R374 IonicContact OE1-CZ 2.68Å; E346-R374 IonicContact OE1-NH1 3.59Å; E346-R374 IonicContact OE1-NH2 3.74Å; E346-R374 PolarHBondContact OE1-NH2 3.44Å |
| 347 | L | 46.8 | Very low | 39.1 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -91.2 | -13.3 | 175.2 | -79.8 | 166 | 0 | 0 | 0 | 114.7 | L349 | L347-L349 PolarHBondContact O-N 3.24Š|
| 348 | G | 38.3 | Very low | 40.2 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -77.4 | -17 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 349 | L | 41.4 | Very low | 41.7 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -99.2 | -27.2 | -170.9 | -66.2 | 176.5 | 0 | 0 | 0 | 114.5 | L347 Q351 | L347-L349 PolarHBondContact O-N 3.24Å; L349-Q351 VanDerWaalsContact C-N 3.3Å; L349-Q351 PolarHBondContact O-N 2.81Å |
| 350 | N | 42.9 | Very low | 43.4 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -14.7 | -176.3 | -71.3 | -53.6 | 0 | 0 | 0 | 113.8 | ||
| 351 | Q | 43.9 | Very low | 45.1 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.1 | -177.3 | -164.6 | 160.4 | 71.8 | 0 | 0 | 113.9 | L349 | L349-Q351 VanDerWaalsContact C-N 3.3Å; L349-Q351 PolarHBondContact O-N 2.81Å |
| 352 | M | 40.4 | Very low | 47.5 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -103.4 | -4.3 | -178.3 | -165.2 | 175.2 | 170.6 | 0 | 0 | 113.7 | ||
| 353 | L | 46.6 | Very low | 49.6 | Very low | 100 Ų | 100 | 127 Ų | 127 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -110.7 | 23.2 | -172.4 | -150.2 | 77.8 | 0 | 0 | 0 | 114.4 | I358 | L353-I358 HydrophobicContact CD1-CD1 3.72Å; L353-I358 HydrophobicContact CG-CD1 4.2Å |
| 354 | M | 44 | Very low | 51.9 | Low | 167 Ų | 167 | 126.4 Ų | 126.4 | 82% | 0.823 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -108.7 | -6.6 | -178.3 | -75.6 | -67.4 | 172.6 | 0 | 0 | 115 | ||
| 355 | E | 42.6 | Very low | 54.2 | Low | 192 Ų | 192 | 124.5 Ų | 124.5 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -111.7 | 8.5 | -174.1 | -65.1 | -164.6 | 129.5 | 0 | 0 | 115.4 | ||
| 356 | T | 41.2 | Very low | 56.7 | Low | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -135.7 | 134 | 168.5 | 41.5 | 0 | 0 | 0 | 0 | 112.3 | I358 | T356-I358 VanDerWaalsContact C-N 3.28Å; T356-I358 PolarHBondContact O-N 3.29Å |
| 357 | S | 48 | Very low | 59.3 | Low | 126 Ų | 126 | 119.1 Ų | 119.1 | 88% | 0.881 | 65% | 0.652 | S | S | * | * | trans | -77.4 | 71.3 | -177.4 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 358 | I | 56.8 | Low | 61.4 | Low | 75 Ų | 75 | 116.4 Ų | 116.4 | 39% | 0.385 | 64% | 0.635 | S | S | . | * | trans | -60.5 | 127.6 | 174.3 | -62.5 | 174.6 | 0 | 0 | 0 | 109.3 | L353 T356 A360 T362 | L353-I358 HydrophobicContact CD1-CD1 3.72Å; L353-I358 HydrophobicContact CG-CD1 4.2Å; T356-I358 VanDerWaalsContact C-N 3.28Å; T356-I358 PolarHBondContact O-N 3.29Å; I358-A360 PolarHBondContact O-N 3.44Å; I358-T362 WeakPolarHBondContact CG2-OG1 3.4Å | ||
| 359 | P | 63.1 | Low | 63.9 | Low | 87 Ų | 87 | 119.9 Ų | 119.9 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | trans | -54.6 | 139.3 | 179.2 | -28.7 | 35.5 | 0 | 0 | 0 | 113 | N361 T362 L363 | P359-N361 PolarHBondContact O-N 2.87Å; P359-T362 PolarHBondContact O-N 3.2Å; P359-T362 PolarHBondContact O-OG1 3.23Å; P359-L363 PolarHBondContact O-N 3.32Å | ||
| 360 | A | 65.4 | Low | 66.4 | Low | 70 Ų | 70 | 116.7 Ų | 116.7 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -54.3 | -35.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I358 T362 L363 L364 | I358-A360 PolarHBondContact O-N 3.44Å; A360-T362 PolarHBondContact O-N 2.9Å; A360-L363 PolarHBondContact O-N 3.4Å; A360-L364 WeakPolarHBondContact O-CB 3.43Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.11Å; A360-L364 PolarHBondContact O-N 2.87Å |
| 361 | N | 74.1 | Confident | 68.8 | Low | 124 Ų | 124 | 116.5 Ų | 116.5 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.1 | -31.1 | 177.4 | -71.9 | -24.1 | 0 | 0 | 0 | 114.1 | P359 K365 | P359-N361 PolarHBondContact O-N 2.87Å; N361-K365 VanDerWaalsContact O-CG 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.3Å; N361-K365 PolarHBondContact O-N 3.43Å |
| 362 | T | 79.6 | Confident | 71.1 | Confident | 69 Ų | 69 | 114.2 Ų | 114.2 | 42% | 0.423 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -80.2 | -38.4 | 173.5 | 29 | 0 | 0 | 0 | 0 | 111.3 | I358 P359 A360 L364 K365 V366 | I358-T362 WeakPolarHBondContact CG2-OG1 3.4Å; P359-T362 PolarHBondContact O-N 3.2Å; P359-T362 PolarHBondContact O-OG1 3.23Å; A360-T362 PolarHBondContact O-N 2.9Å; T362-L364 PolarHBondContact O-N 3.1Å; T362-K365 PolarHBondContact O-N 3.37Å; T362-V366 WeakPolarHBondContact O-CG2 3.42Å; T362-V366 PolarHBondContact O-N 2.86Å |
| 363 | L | 81.4 | Confident | 73.6 | Confident | 70 Ų | 70 | 112.2 Ų | 112.2 | 37% | 0.366 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.6 | -42.9 | 173.7 | -178.8 | 60.6 | 0 | 0 | 0 | 112.1 | P359 A360 V366 K367 | P359-L363 PolarHBondContact O-N 3.32Å; A360-L363 PolarHBondContact O-N 3.4Å; L363-V366 PolarHBondContact O-N 3.29Å; L363-K367 PolarHBondContact O-N 3.47Å |
| 364 | L | 84.6 | Confident | 75.8 | Confident | 108 Ų | 108 | 113.6 Ų | 113.6 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.7 | -45.7 | 174.6 | -76.2 | 169.1 | 0 | 0 | 0 | 111.7 | A360 T362 V366 K367 E368 | A360-L364 WeakPolarHBondContact O-CB 3.43Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.11Å; A360-L364 PolarHBondContact O-N 2.87Å; T362-L364 PolarHBondContact O-N 3.1Å; L364-V366 VanDerWaalsContact C-N 3.3Å; L364-V366 PolarHBondContact O-N 3.46Å; L364-K367 PolarHBondContact O-N 3.24Å; L364-E368 WeakPolarHBondContact O-CB 3.35Å; L364-E368 PolarHBondContact O-N 3.06Å |
| 365 | K | 86.9 | Confident | 78.1 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 59% | 0.591 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -31.1 | 177 | -75.3 | 175.4 | -179.1 | -177.1 | 0 | 113.5 | N361 T362 K369 | N361-K365 VanDerWaalsContact O-CG 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.3Å; N361-K365 PolarHBondContact O-N 3.43Å; T362-K365 PolarHBondContact O-N 3.37Å; K365-K369 WeakPolarHBondContact O-CB 3.36Å; K365-K369 WeakPolarHBondContact O-CG 3.45Å; K365-K369 PolarHBondContact O-N 2.97Å; K365-K369 VanDerWaalsContact O-N 3.17Å |
| 366 | V | 88.9 | Confident | 80.6 | Confident | 94 Ų | 94 | 107.2 Ų | 107.2 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.1 | -46.4 | 172.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | T362 L363 L364 E368 K369 L370 | T362-V366 WeakPolarHBondContact O-CG2 3.42Å; T362-V366 PolarHBondContact O-N 2.86Å; L363-V366 PolarHBondContact O-N 3.29Å; L364-V366 VanDerWaalsContact C-N 3.3Å; L364-V366 PolarHBondContact O-N 3.46Å; V366-E368 PolarHBondContact O-N 3.48Å; V366-K369 PolarHBondContact O-N 3.35Å; V366-L370 WeakPolarHBondContact O-CB 3.28Å; V366-L370 PolarHBondContact O-N 3.41Å |
| 367 | K | 88.6 | Confident | 83.1 | Confident | 122 Ų | 122 | 106.4 Ų | 106.4 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.8 | -72.9 | -173.6 | 175.6 | -170.7 | 0 | 112.4 | L363 L364 L370 L371 | L363-K367 PolarHBondContact O-N 3.47Å; L364-K367 PolarHBondContact O-N 3.24Å; K367-L370 PolarHBondContact O-N 2.94Å; K367-L371 WeakPolarHBondContact O-CB 3.13Å; K367-L371 VanDerWaalsContact O-CG 3.29Å; K367-L371 WeakPolarHBondContact O-CG 3.25Å; K367-L371 PolarHBondContact O-N 3.03Å |
| 368 | E | 90.8 | Very high | 85.4 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 46% | 0.458 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178 | -165.2 | -140.8 | 133.6 | 0 | 0 | 112 | L364 V366 R372 | L364-E368 WeakPolarHBondContact O-CB 3.35Å; L364-E368 PolarHBondContact O-N 3.06Å; V366-E368 PolarHBondContact O-N 3.48Å; E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-N 3.03Å; E368-R372 IonicContact OE1-CZ 2.7Å; E368-R372 IonicContact OE1-NE 2.83Å; E368-R372 PolarHBondContact OE1-NE 2.83Å; E368-R372 IonicContact OE1-NH2 2.69Å; E368-R372 PolarHBondContact OE1-NH2 3.08Å |
| 369 | K | 91.3 | Very high | 87 | Confident | 139 Ų | 139 | 104.6 Ų | 104.6 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -48.4 | 172.8 | -80.1 | -177.4 | 174.5 | -168.6 | 0 | 112 | K365 V366 L371 R372 E373 | K365-K369 WeakPolarHBondContact O-CB 3.36Å; K365-K369 WeakPolarHBondContact O-CG 3.45Å; K365-K369 PolarHBondContact O-N 2.97Å; K365-K369 VanDerWaalsContact O-N 3.17Å; V366-K369 PolarHBondContact O-N 3.35Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 2.93Å; K369-R372 PolarHBondContact O-N 3.24Å; K369-R372 VanDerWaalsContact O-N 3.17Å; K369-E373 WeakPolarHBondContact O-CB 3.34Å; K369-E373 PolarHBondContact O-N 3.03Å |
| 370 | L | 93.2 | Very high | 88.5 | Confident | 84 Ų | 84 | 103.7 Ų | 103.7 | 44% | 0.44 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 179.8 | -175.4 | 67 | 0 | 0 | 0 | 111.8 | V366 K367 E373 R374 | V366-L370 WeakPolarHBondContact O-CB 3.28Å; V366-L370 PolarHBondContact O-N 3.41Å; K367-L370 PolarHBondContact O-N 2.94Å; L370-E373 PolarHBondContact O-N 2.75Å; L370-R374 VanDerWaalsContact O-CG 3.32Å; L370-R374 WeakPolarHBondContact O-CG 3.44Å; L370-R374 PolarHBondContact O-N 3.17Å |
| 371 | L | 92.6 | Very high | 89.9 | Confident | 125 Ų | 125 | 104.8 Ų | 104.8 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 173.9 | -74.3 | 168.7 | 0 | 0 | 0 | 111.7 | K367 K369 E373 R374 E375 | K367-L371 WeakPolarHBondContact O-CB 3.13Å; K367-L371 VanDerWaalsContact O-CG 3.29Å; K367-L371 WeakPolarHBondContact O-CG 3.25Å; K367-L371 PolarHBondContact O-N 3.03Å; K369-L371 VanDerWaalsContact C-N 3.32Å; K369-L371 PolarHBondContact O-N 2.93Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.38Å; L371-R374 PolarHBondContact O-N 2.98Å; L371-E375 WeakPolarHBondContact O-CB 3.49Å; L371-E375 PolarHBondContact O-N 2.97Å |
| 372 | R | 92.7 | Very high | 90.8 | Very high | 135 Ų | 135 | 104.3 Ų | 104.3 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -31 | 175.5 | -72.7 | -167.8 | -83.2 | 107 | -14 | 113.1 | E368 K369 L376 | E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-N 3.03Å; E368-R372 IonicContact OE1-CZ 2.7Å; E368-R372 IonicContact OE1-NE 2.83Å; E368-R372 PolarHBondContact OE1-NE 2.83Å; E368-R372 IonicContact OE1-NH2 2.69Å; E368-R372 PolarHBondContact OE1-NH2 3.08Å; K369-R372 PolarHBondContact O-N 3.24Å; K369-R372 VanDerWaalsContact O-N 3.17Å; R372-L376 WeakPolarHBondContact O-CG 3.47Å; R372-L376 PolarHBondContact O-N 3.48Å |
| 373 | E | 93.1 | Very high | 91.6 | Very high | 131 Ų | 131 | 107.4 Ų | 107.4 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.8 | -46.4 | 173.7 | -175.3 | 170.6 | -157.2 | 0 | 0 | 111.9 | K369 L370 L371 E375 L376 E377 | K369-E373 WeakPolarHBondContact O-CB 3.34Å; K369-E373 PolarHBondContact O-N 3.03Å; L370-E373 PolarHBondContact O-N 2.75Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.38Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-E375 PolarHBondContact O-N 2.84Å; E373-L376 PolarHBondContact O-N 3.21Å; E373-E377 PolarHBondContact O-N 2.9Å; E373-E377 VanDerWaalsContact O-N 3.08Å |
| 374 | R | 93.6 | Very high | 92.2 | Very high | 129 Ų | 129 | 109.7 Ų | 109.7 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -34.1 | 174.7 | -65.8 | -68.1 | -173.1 | 152.4 | 10.2 | 112.4 | E346 L370 L371 E377 I378 | E346-R374 IonicContact OE1-CZ 2.68Å; E346-R374 IonicContact OE1-NH1 3.59Å; E346-R374 IonicContact OE1-NH2 3.74Å; E346-R374 PolarHBondContact OE1-NH2 3.44Å; L370-R374 VanDerWaalsContact O-CG 3.32Å; L370-R374 WeakPolarHBondContact O-CG 3.44Å; L370-R374 PolarHBondContact O-N 3.17Å; L371-R374 PolarHBondContact O-N 2.98Å; R374-E377 PolarHBondContact O-N 3.4Å; R374-I378 WeakPolarHBondContact O-CD1 3.47Å; R374-I378 VanDerWaalsContact O-CG1 3.25Å; R374-I378 WeakPolarHBondContact O-CG1 3.33Å; R374-I378 PolarHBondContact O-N 3.47Å |
| 375 | E | 92.1 | Very high | 92.6 | Very high | 95 Ų | 95 | 109 Ų | 109 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 173.4 | -179.5 | 57.3 | -144.4 | 0 | 0 | 111.8 | L371 E373 E377 I378 Q379 | L371-E375 WeakPolarHBondContact O-CB 3.49Å; L371-E375 PolarHBondContact O-N 2.97Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-E375 PolarHBondContact O-N 2.84Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.15Å; E375-I378 PolarHBondContact O-N 2.9Å; E375-Q379 WeakPolarHBondContact O-CG 3.45Å; E375-Q379 PolarHBondContact O-N 3.03Å; E375-Q379 PolarHBondContact OE1-NE2 3.02Å |
| 376 | L | 95.1 | Very high | 93 | Very high | 129 Ų | 129 | 108.1 Ų | 108.1 | 68% | 0.675 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 175 | -72.2 | 170.3 | 0 | 0 | 0 | 112 | R372 E373 Q379 S380 | R372-L376 WeakPolarHBondContact O-CG 3.47Å; R372-L376 PolarHBondContact O-N 3.48Å; E373-L376 PolarHBondContact O-N 3.21Å; L376-Q379 PolarHBondContact O-N 3.32Å; L376-S380 PolarHBondContact O-N 3.33Å |
| 377 | E | 94.2 | Very high | 93.2 | Very high | 89 Ų | 89 | 109.9 Ų | 109.9 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 173.5 | 179.9 | 55.9 | -156.2 | 0 | 0 | 111.9 | E373 R374 E375 Q379 S380 Q381 | E373-E377 PolarHBondContact O-N 2.9Å; E373-E377 VanDerWaalsContact O-N 3.08Å; R374-E377 PolarHBondContact O-N 3.4Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 3.15Å; E377-Q379 PolarHBondContact O-N 3.05Å; E377-S380 WeakPolarHBondContact O-CB 3.33Å; E377-S380 PolarHBondContact O-N 3.45Å; E377-S380 VanDerWaalsContact O-N 3.16Å; E377-Q381 WeakPolarHBondContact O-CG 3.47Å; E377-Q381 PolarHBondContact O-N 3.3Å; E377-Q381 WeakPolarHBondContact OE1-CG 3.38Å; E377-Q381 PolarHBondContact OE1-NE2 2.89Å |
| 378 | I | 94.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 108.5 Ų | 108.5 | 45% | 0.451 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 174.3 | -72 | 163.1 | 0 | 0 | 0 | 111.3 | R374 E375 K382 | R374-I378 WeakPolarHBondContact O-CD1 3.47Å; R374-I378 VanDerWaalsContact O-CG1 3.25Å; R374-I378 WeakPolarHBondContact O-CG1 3.33Å; R374-I378 PolarHBondContact O-N 3.47Å; E375-I378 PolarHBondContact O-N 2.9Å; I378-K382 WeakPolarHBondContact O-CB 3.49Å; I378-K382 PolarHBondContact O-N 3.4Å |
| 379 | Q | 91 | Very high | 93.8 | Very high | 74 Ų | 74 | 109.1 Ų | 109.1 | 35% | 0.346 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 175 | -62.2 | -54.1 | -39.7 | 0 | 0 | 112 | E375 L376 E377 K382 Q383 | E375-Q379 WeakPolarHBondContact O-CG 3.45Å; E375-Q379 PolarHBondContact O-N 3.03Å; E375-Q379 PolarHBondContact OE1-NE2 3.02Å; L376-Q379 PolarHBondContact O-N 3.32Å; E377-Q379 PolarHBondContact O-N 3.05Å; Q379-K382 PolarHBondContact O-N 2.96Å; Q379-Q383 WeakPolarHBondContact O-CB 3.29Å; Q379-Q383 PolarHBondContact O-N 3.03Å |
| 380 | S | 94.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 106.3 Ų | 106.3 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 172.5 | -173.4 | 0 | 0 | 0 | 0 | 112 | L376 E377 K382 Q383 Q384 | L376-S380 PolarHBondContact O-N 3.33Å; E377-S380 WeakPolarHBondContact O-CB 3.33Å; E377-S380 PolarHBondContact O-N 3.45Å; E377-S380 VanDerWaalsContact O-N 3.16Å; S380-K382 VanDerWaalsContact C-N 3.33Å; S380-K382 PolarHBondContact O-N 3.29Å; S380-Q383 VanDerWaalsContact O-CB 3.28Å; S380-Q383 WeakPolarHBondContact O-CB 3.48Å; S380-Q383 PolarHBondContact O-N 3.37Å; S380-Q383 VanDerWaalsContact O-N 3.14Å; S380-Q384 PolarHBondContact O-N 2.84Å |
| 381 | Q | 94.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 109.9 Ų | 109.9 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.7 | -67.9 | 176.6 | 10.6 | 0 | 0 | 112 | E377 Q383 Q384 I385 | E377-Q381 WeakPolarHBondContact O-CG 3.47Å; E377-Q381 PolarHBondContact O-N 3.3Å; E377-Q381 WeakPolarHBondContact OE1-CG 3.38Å; E377-Q381 PolarHBondContact OE1-NE2 2.89Å; Q381-Q383 PolarHBondContact O-N 3.32Å; Q381-Q384 WeakPolarHBondContact O-CB 3.45Å; Q381-Q384 PolarHBondContact O-N 3.42Å; Q381-I385 VanDerWaalsContact O-CG1 3.3Å; Q381-I385 WeakPolarHBondContact O-CG1 3.11Å; Q381-I385 PolarHBondContact O-N 2.63Å |
| 382 | K | 93.8 | Very high | 94 | Very high | 114 Ų | 114 | 108.4 Ų | 108.4 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 174.3 | 179.7 | 179.6 | 165.5 | -162.2 | 0 | 112.5 | I378 Q379 S380 M386 | I378-K382 WeakPolarHBondContact O-CB 3.49Å; I378-K382 PolarHBondContact O-N 3.4Å; Q379-K382 PolarHBondContact O-N 2.96Å; S380-K382 VanDerWaalsContact C-N 3.33Å; S380-K382 PolarHBondContact O-N 3.29Å; K382-M386 WeakPolarHBondContact O-CB 3.36Å; K382-M386 PolarHBondContact O-N 3.15Å |
| 383 | Q | 95.2 | Very high | 94 | Very high | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 171.5 | -166 | 87.1 | -0.3 | 0 | 0 | 110.8 | Q379 S380 Q381 M386 Q387 | Q379-Q383 WeakPolarHBondContact O-CB 3.29Å; Q379-Q383 PolarHBondContact O-N 3.03Å; S380-Q383 VanDerWaalsContact O-CB 3.28Å; S380-Q383 WeakPolarHBondContact O-CB 3.48Å; S380-Q383 PolarHBondContact O-N 3.37Å; S380-Q383 VanDerWaalsContact O-N 3.14Å; Q381-Q383 PolarHBondContact O-N 3.32Å; Q383-M386 WeakPolarHBondContact O-CB 3.43Å; Q383-M386 PolarHBondContact O-N 3.4Å; Q383-Q387 PolarHBondContact O-N 3.07Å; Q383-Q387 VanDerWaalsContact O-N 3.12Å |
| 384 | Q | 94.6 | Very high | 94 | Very high | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 177.9 | -168.7 | 180 | 11.4 | 0 | 0 | 112.2 | S380 Q381 M386 Q387 L388 | S380-Q384 PolarHBondContact O-N 2.84Å; Q381-Q384 WeakPolarHBondContact O-CB 3.45Å; Q381-Q384 PolarHBondContact O-N 3.42Å; Q384-M386 VanDerWaalsContact C-N 3.29Å; Q384-M386 PolarHBondContact O-N 2.89Å; Q384-Q387 PolarHBondContact O-N 3.47Å; Q384-L388 WeakPolarHBondContact O-CG 3.5Å; Q384-L388 PolarHBondContact O-N 2.92Å |
| 385 | I | 93.6 | Very high | 94 | Very high | 92 Ų | 92 | 105.9 Ų | 105.9 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.3 | -69 | 163.5 | 0 | 0 | 0 | 110.9 | Q381 L388 H389 | Q381-I385 VanDerWaalsContact O-CG1 3.3Å; Q381-I385 WeakPolarHBondContact O-CG1 3.11Å; Q381-I385 PolarHBondContact O-N 2.63Å; I385-L388 PolarHBondContact O-N 2.87Å; I385-H389 PolarHBondContact O-N 3Å |
| 386 | M | 93.9 | Very high | 94 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 175 | -167.8 | 65.2 | 68.9 | 0 | 0 | 111.8 | K382 Q383 Q384 H389 V390 | K382-M386 WeakPolarHBondContact O-CB 3.36Å; K382-M386 PolarHBondContact O-N 3.15Å; Q383-M386 WeakPolarHBondContact O-CB 3.43Å; Q383-M386 PolarHBondContact O-N 3.4Å; Q384-M386 VanDerWaalsContact C-N 3.29Å; Q384-M386 PolarHBondContact O-N 2.89Å; M386-H389 PolarHBondContact O-N 3.09Å; M386-V390 WeakPolarHBondContact O-CG2 3.4Å; M386-V390 PolarHBondContact O-N 2.82Å; M386-V390 VanDerWaalsContact O-N 3.11Å |
| 387 | Q | 95.1 | Very high | 93.7 | Very high | 131 Ų | 131 | 105.8 Ų | 105.8 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 174.8 | -69.6 | -178.8 | -6.6 | 0 | 0 | 112 | Q383 Q384 V390 W391 | Q383-Q387 PolarHBondContact O-N 3.07Å; Q383-Q387 VanDerWaalsContact O-N 3.12Å; Q384-Q387 PolarHBondContact O-N 3.47Å; Q387-V390 PolarHBondContact O-N 2.72Å; Q387-W391 PolarHBondContact O-N 2.86Å |
| 388 | L | 96.3 | Very high | 93.6 | Very high | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.5 | -70.7 | 171.2 | 0 | 0 | 0 | 112 | Q384 I385 V390 W391 I392 | Q384-L388 WeakPolarHBondContact O-CG 3.5Å; Q384-L388 PolarHBondContact O-N 2.92Å; I385-L388 PolarHBondContact O-N 2.87Å; L388-V390 VanDerWaalsContact C-N 3.33Å; L388-V390 PolarHBondContact O-N 3.23Å; L388-W391 PolarHBondContact O-N 2.74Å; L388-I392 WeakPolarHBondContact O-CB 3.4Å; L388-I392 VanDerWaalsContact O-CG1 3.22Å; L388-I392 WeakPolarHBondContact O-CG1 3.28Å; L388-I392 PolarHBondContact O-N 2.68Å |
| 389 | H | 94.6 | Very high | 93.2 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 174.4 | -82.6 | 155.7 | 0 | 0 | 0 | 113.3 | I385 M386 R393 | I385-H389 PolarHBondContact O-N 3Å; M386-H389 PolarHBondContact O-N 3.09Å; H389-R393 PolarHBondContact O-N 2.99Å; H389-R393 VanDerWaalsContact O-N 3.16Å |
| 390 | V | 94.3 | Very high | 92.9 | Very high | 81 Ų | 81 | 105.9 Ų | 105.9 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -49 | 171.7 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | M386 Q387 L388 I392 R393 E394 | M386-V390 WeakPolarHBondContact O-CG2 3.4Å; M386-V390 PolarHBondContact O-N 2.82Å; M386-V390 VanDerWaalsContact O-N 3.11Å; Q387-V390 PolarHBondContact O-N 2.72Å; L388-V390 VanDerWaalsContact C-N 3.33Å; L388-V390 PolarHBondContact O-N 3.23Å; V390-I392 VanDerWaalsContact C-N 3.32Å; V390-I392 PolarHBondContact O-N 3Å; V390-R393 PolarHBondContact O-N 3.11Å; V390-E394 WeakPolarHBondContact O-CB 3.26Å; V390-E394 PolarHBondContact O-N 2.92Å |
| 391 | W | 93.4 | Very high | 92.3 | Very high | 158 Ų | 158 | 108.6 Ų | 108.6 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -34.8 | -179.4 | -158.9 | 91.5 | 0 | 0 | 0 | 113.2 | Q387 L388 N395 | Q387-W391 PolarHBondContact O-N 2.86Å; L388-W391 PolarHBondContact O-N 2.74Å; W391-N395 HydrophobicContact CE3-CB 4.35Å; W391-N395 HydrophobicContact CZ3-CB 4.28Å; W391-N395 WeakPolarHBondContact CZ3-ND2 3.41Å; W391-N395 VanDerWaalsContact O-CB 3.29Å; W391-N395 WeakPolarHBondContact O-CB 3.08Å; W391-N395 PolarHBondContact O-N 3.48Å |
| 392 | I | 92.8 | Very high | 91.7 | Very high | 94 Ų | 94 | 108.5 Ų | 108.5 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -49.8 | 174.9 | -71.8 | 163.8 | 0 | 0 | 0 | 110.8 | L388 V390 E394 N395 E396 | L388-I392 WeakPolarHBondContact O-CB 3.4Å; L388-I392 VanDerWaalsContact O-CG1 3.22Å; L388-I392 WeakPolarHBondContact O-CG1 3.28Å; L388-I392 PolarHBondContact O-N 2.68Å; V390-I392 VanDerWaalsContact C-N 3.32Å; V390-I392 PolarHBondContact O-N 3Å; I392-E394 VanDerWaalsContact C-N 3.31Å; I392-E394 PolarHBondContact O-N 3.4Å; I392-N395 PolarHBondContact O-N 2.83Å; I392-N395 VanDerWaalsContact O-N 3.15Å; I392-E396 WeakPolarHBondContact O-CB 3.35Å; I392-E396 PolarHBondContact O-N 3.33Å |
| 393 | R | 93.8 | Very high | 90.8 | Very high | 177 Ų | 177 | 108.9 Ų | 108.9 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -37.9 | 178 | -71.9 | -165.9 | -63 | 171.2 | 0.6 | 112.5 | H389 V390 N395 E396 H397 | H389-R393 PolarHBondContact O-N 2.99Å; H389-R393 VanDerWaalsContact O-N 3.16Å; V390-R393 PolarHBondContact O-N 3.11Å; R393-N395 VanDerWaalsContact C-N 3.33Å; R393-E396 PolarHBondContact O-N 2.84Å; R393-H397 WeakPolarHBondContact O-CB 3.34Å; R393-H397 PolarHBondContact O-N 3.47Å |
| 394 | E | 93.2 | Very high | 89.5 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 174.4 | 177.9 | 61.4 | -144.7 | 0 | 0 | 111.8 | V390 I392 R398 | V390-E394 WeakPolarHBondContact O-CB 3.26Å; V390-E394 PolarHBondContact O-N 2.92Å; I392-E394 VanDerWaalsContact C-N 3.31Å; I392-E394 PolarHBondContact O-N 3.4Å; E394-R398 PolarHBondContact O-N 3.37Å; E394-R398 IonicContact OE1-CZ 2.72Å; E394-R398 IonicContact OE1-NH1 3.87Å; E394-R398 PolarHBondContact OE1-NH1 2.89Å |
| 395 | N | 93.1 | Very high | 88.2 | Confident | 70 Ų | 70 | 104 Ų | 104 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.4 | -39 | 174.1 | -161.9 | 7.3 | 0 | 0 | 0 | 112.6 | W391 I392 R393 H397 R398 A399 | W391-N395 HydrophobicContact CE3-CB 4.35Å; W391-N395 HydrophobicContact CZ3-CB 4.28Å; W391-N395 WeakPolarHBondContact CZ3-ND2 3.41Å; W391-N395 VanDerWaalsContact O-CB 3.29Å; W391-N395 WeakPolarHBondContact O-CB 3.08Å; W391-N395 PolarHBondContact O-N 3.48Å; I392-N395 PolarHBondContact O-N 2.83Å; I392-N395 VanDerWaalsContact O-N 3.15Å; R393-N395 VanDerWaalsContact C-N 3.33Å; N395-H397 VanDerWaalsContact C-N 3.34Å; N395-H397 PolarHBondContact O-N 3.47Å; N395-R398 WeakPolarHBondContact O-CB 3.45Å; N395-R398 PolarHBondContact O-N 3.43Å; N395-A399 PolarHBondContact O-N 3.37Å |
| 396 | E | 92.1 | Very high | 86.5 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.5 | -166.7 | -169.7 | 163.6 | 0 | 0 | 110.9 | I392 R393 R398 A399 Q400 | I392-E396 WeakPolarHBondContact O-CB 3.35Å; I392-E396 PolarHBondContact O-N 3.33Å; R393-E396 PolarHBondContact O-N 2.84Å; E396-R398 PolarHBondContact O-N 3.46Å; E396-A399 PolarHBondContact O-N 3.34Å; E396-A399 VanDerWaalsContact O-N 3.15Å; E396-Q400 WeakPolarHBondContact O-CG 3.39Å; E396-Q400 PolarHBondContact O-N 2.89Å; E396-Q400 PolarHBondContact OE1-NE2 2.96Å |
| 397 | H | 88.9 | Confident | 84.6 | Confident | 117 Ų | 117 | 111.4 Ų | 111.4 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 174.6 | -175.8 | -97.4 | 0 | 0 | 0 | 112.2 | R393 N395 Q400 Q401 | R393-H397 WeakPolarHBondContact O-CB 3.34Å; R393-H397 PolarHBondContact O-N 3.47Å; N395-H397 VanDerWaalsContact C-N 3.34Å; N395-H397 PolarHBondContact O-N 3.47Å; H397-Q400 PolarHBondContact O-N 3.12Å; H397-Q401 WeakPolarHBondContact O-CB 3.4Å; H397-Q401 PolarHBondContact O-N 2.72Å |
| 398 | R | 92.2 | Very high | 82.6 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 36% | 0.358 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.2 | -42.3 | 172.1 | -79.8 | -171.7 | -74.9 | -87.5 | -2.8 | 112.7 | E394 N395 E396 Q401 V402 | E394-R398 PolarHBondContact O-N 3.37Å; E394-R398 IonicContact OE1-CZ 2.72Å; E394-R398 IonicContact OE1-NH1 3.87Å; E394-R398 PolarHBondContact OE1-NH1 2.89Å; N395-R398 WeakPolarHBondContact O-CB 3.45Å; N395-R398 PolarHBondContact O-N 3.43Å; E396-R398 PolarHBondContact O-N 3.46Å; R398-Q401 WeakPolarHBondContact O-CB 3.48Å; R398-Q401 PolarHBondContact O-N 2.75Å; R398-V402 WeakPolarHBondContact O-CG2 3.45Å; R398-V402 PolarHBondContact O-N 2.9Å |
| 399 | A | 85 | Confident | 80.6 | Confident | 49 Ų | 49 | 112.1 Ų | 112.1 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N395 E396 Q401 V402 L403 | N395-A399 PolarHBondContact O-N 3.37Å; E396-A399 PolarHBondContact O-N 3.34Å; E396-A399 VanDerWaalsContact O-N 3.15Å; A399-Q401 VanDerWaalsContact C-N 3.31Å; A399-Q401 PolarHBondContact O-N 3.39Å; A399-V402 PolarHBondContact O-N 3.41Å; A399-L403 WeakPolarHBondContact O-CG 3.36Å; A399-L403 PolarHBondContact O-N 2.93Å |
| 400 | Q | 84.9 | Confident | 78.4 | Confident | 109 Ų | 109 | 115.5 Ų | 115.5 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.5 | -38.2 | 173.8 | -69.5 | 178.1 | 15.7 | 0 | 0 | 111.7 | E396 H397 L403 G404 | E396-Q400 WeakPolarHBondContact O-CG 3.39Å; E396-Q400 PolarHBondContact O-N 2.89Å; E396-Q400 PolarHBondContact OE1-NE2 2.96Å; H397-Q400 PolarHBondContact O-N 3.12Å; Q400-L403 PolarHBondContact O-N 2.88Å; Q400-G404 PolarHBondContact O-N 2.81Å |
| 401 | Q | 83.4 | Confident | 75.9 | Confident | 127 Ų | 127 | 120.5 Ų | 120.5 | 59% | 0.593 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.6 | -44.5 | 175.5 | -169.3 | 177.8 | 20.6 | 0 | 0 | 112.2 | H397 R398 A399 G404 S405 | H397-Q401 WeakPolarHBondContact O-CB 3.4Å; H397-Q401 PolarHBondContact O-N 2.72Å; R398-Q401 WeakPolarHBondContact O-CB 3.48Å; R398-Q401 PolarHBondContact O-N 2.75Å; A399-Q401 VanDerWaalsContact C-N 3.31Å; A399-Q401 PolarHBondContact O-N 3.39Å; Q401-G404 PolarHBondContact O-N 3.31Å; Q401-S405 PolarHBondContact O-N 3.16Å |
| 402 | V | 81.9 | Confident | 73.6 | Confident | 90 Ų | 90 | 119.6 Ų | 119.6 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.6 | -40.8 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | R398 A399 | R398-V402 WeakPolarHBondContact O-CG2 3.45Å; R398-V402 PolarHBondContact O-N 2.9Å; A399-V402 PolarHBondContact O-N 3.41Å |
| 403 | L | 74.4 | Confident | 71.5 | Confident | 122 Ų | 122 | 120.5 Ų | 120.5 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.2 | -39.2 | 175.6 | -70 | 169.9 | 0 | 0 | 0 | 112.1 | A399 Q400 Q406 R407 | A399-L403 WeakPolarHBondContact O-CG 3.36Å; A399-L403 PolarHBondContact O-N 2.93Å; Q400-L403 PolarHBondContact O-N 2.88Å; L403-Q406 PolarHBondContact O-N 3.42Å; L403-R407 PolarHBondContact O-N 3.21Å |
| 404 | G | 68.3 | Low | 69.4 | Low | 48 Ų | 48 | 119.3 Ų | 119.3 | 50% | 0.495 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q400 Q401 Q406 R407 | Q400-G404 PolarHBondContact O-N 2.81Å; Q401-G404 PolarHBondContact O-N 3.31Å; G404-Q406 VanDerWaalsContact C-N 3.25Å; G404-Q406 PolarHBondContact O-N 3.15Å; G404-R407 PolarHBondContact O-N 2.8Å; G404-R407 VanDerWaalsContact O-N 3.1Å |
| 405 | S | 66.2 | Low | 67.2 | Low | 103 Ų | 103 | 122.2 Ų | 122.2 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.5 | -33.7 | 177.4 | -108.5 | 0 | 0 | 0 | 0 | 113.8 | Q401 | Q401-S405 PolarHBondContact O-N 3.16Å |
| 406 | Q | 58.2 | Low | 65.2 | Low | 139 Ų | 139 | 124.1 Ų | 124.1 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.1 | -18 | 179.8 | -68 | -175.3 | 55.5 | 0 | 0 | 113.6 | L403 G404 | L403-Q406 PolarHBondContact O-N 3.42Å; G404-Q406 VanDerWaalsContact C-N 3.25Å; G404-Q406 PolarHBondContact O-N 3.15Å |
| 407 | R | 54.5 | Low | 62.4 | Low | 225 Ų | 225 | 126.6 Ų | 126.6 | 85% | 0.849 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -10 | -174.2 | -144.4 | 178.7 | -167.1 | -166.6 | 3.9 | 114.4 | L403 G404 | L403-R407 PolarHBondContact O-N 3.21Å; G404-R407 PolarHBondContact O-N 2.8Å; G404-R407 VanDerWaalsContact O-N 3.1Å |
| 408 | G | 52.5 | Low | 60 | Low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -9.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 409 | Q | 54.7 | Low | 57.4 | Low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -101 | 2.8 | -162.6 | -162.2 | 156.6 | -3 | 0 | 0 | 115.8 | ||
| 410 | F | 47.7 | Very low | 55 | Low | 183 Ų | 183 | 138.2 Ų | 138.2 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -127.3 | 52.9 | -172.3 | -65.8 | -72.8 | 0 | 0 | 0 | 114.2 | ||
| 411 | H | 42.8 | Very low | 52.7 | Low | 185 Ų | 185 | 139.1 Ų | 139.1 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -147.3 | 38.5 | 174 | -134.5 | -70.1 | 0 | 0 | 0 | 117.1 | ||||
| 412 | T | 45.4 | Very low | 50.4 | Low | 140 Ų | 140 | 137.5 Ų | 137.5 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -131 | 99.8 | 174.4 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 413 | S | 48.7 | Very low | 48.3 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 168.4 | 163.9 | 150.3 | -80.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 414 | I | 48.6 | Very low | 46.4 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 71.7 | 77.7 | 168.8 | -39.6 | -178.3 | 0 | 0 | 0 | 116.3 | ||||
| 415 | I | 48.8 | Very low | 44.9 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 115.9 | 134.8 | -57.5 | 177.6 | 0 | 0 | 0 | 107.4 | ||||
| 416 | P | 50.2 | Low | 43.2 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -116.7 | 115.6 | 163 | 32.9 | -20 | 0 | 0 | 0 | 110.6 | ||||
| 417 | N | 33.1 | Very low | 42 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -89.4 | 148.3 | 165.6 | -79.1 | -14.4 | 0 | 0 | 0 | 110.1 | ||||
| 418 | T | 37.8 | Very low | 41.4 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -87.6 | 127.1 | -174.6 | -44.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 419 | E | 37.9 | Very low | 41 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -133.8 | 134.5 | 153.1 | -69.4 | -165.6 | 157.9 | 0 | 0 | 108.9 | ||||
| 420 | E | 34.8 | Very low | 40.6 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -88.2 | 144.3 | -172.2 | -72.9 | -171.1 | 115.5 | 0 | 0 | 113.2 | ||||
| 421 | S | 36.6 | Very low | 40.5 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -81.7 | 122.7 | 168.9 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 422 | A | 36 | Very low | 40.5 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -114 | 103.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 423 | M | 37.7 | Very low | 40.6 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -175.9 | 115.3 | 139.5 | -164.6 | 75.9 | 82.7 | 0 | 0 | 111.7 | ||||
| 424 | T | 34.1 | Very low | 40.7 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 161.5 | 118.2 | 125.6 | 37.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 425 | T | 37.3 | Very low | 40.9 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 20 | 132.7 | 144.6 | 58.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 426 | S | 30.7 | Very low | 41.3 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | -175.8 | 177 | 49.5 | -159.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 427 | C | 31.6 | Very low | 42.1 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 58.8 | 100.7 | 158.9 | -75 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 428 | K | 43.4 | Very low | 44.1 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | 34.3 | 99.7 | 132.6 | -65.5 | 179.3 | 175.6 | 178.2 | 0 | 119.1 | ||||
| 429 | L | 43.7 | Very low | 46.1 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -151.6 | 55.3 | 138.6 | -143.8 | 77.2 | 0 | 0 | 0 | 112.9 | S431 | L429-S431 PolarHBondContact O-N 3.42Å; L429-S431 VanDerWaalsContact O-N 3.1Å | ||
| 430 | Q | 45.9 | Very low | 48.3 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 82.8 | 177.3 | -74.3 | -177.6 | -30.1 | 0 | 0 | 111.9 | ||
| 431 | S | 46 | Very low | 50.6 | Low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.3 | -57.3 | 152.9 | -97.7 | 0 | 0 | 0 | 0 | 111.9 | L429 R433 R434 | L429-S431 PolarHBondContact O-N 3.42Å; L429-S431 VanDerWaalsContact O-N 3.1Å; S431-R433 PolarHBondContact O-N 3.41Å; S431-R433 VanDerWaalsContact O-N 3.08Å; S431-R434 PolarHBondContact O-N 3.37Å |
| 432 | D | 42.5 | Very low | 53.1 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -21 | -172.4 | -82.1 | -31.3 | 0 | 0 | 0 | 114.8 | R434 | D432-R434 PolarHBondContact O-N 2.91Š|
| 433 | R | 47.7 | Very low | 55.7 | Low | 222 Ų | 222 | 130.3 Ų | 130.3 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.8 | -14.6 | 179.1 | -151.2 | 179.8 | -172.8 | -151.9 | 1.6 | 113.9 | S431 | S431-R433 PolarHBondContact O-N 3.41Å; S431-R433 VanDerWaalsContact O-N 3.08Å |
| 434 | R | 50 | Low | 58.3 | Low | 185 Ų | 185 | 127 Ų | 127 | 70% | 0.698 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.6 | -44.1 | 178 | -71.3 | -169.3 | 178.9 | -174.6 | 0.4 | 113.5 | S431 D432 C436 D437 E438 | S431-R434 PolarHBondContact O-N 3.37Å; D432-R434 PolarHBondContact O-N 2.91Å; R434-C436 VanDerWaalsContact C-N 3.26Å; R434-C436 PolarHBondContact O-N 2.97Å; R434-D437 WeakPolarHBondContact O-CA 3.5Å; R434-D437 WeakPolarHBondContact O-CB 3.33Å; R434-D437 PolarHBondContact O-N 3.27Å; R434-E438 PolarHBondContact O-N 2.72Å; R434-E438 VanDerWaalsContact O-OE2 3.09Å |
| 435 | C | 53.9 | Low | 61 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.4 | -39.2 | -175.9 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | D437 E439 | C435-D437 VanDerWaalsContact C-N 3.31Å; C435-D437 PolarHBondContact O-N 2.94Å; C435-E439 PolarHBondContact O-N 2.93Å |
| 436 | C | 56.3 | Low | 63.6 | Low | 95 Ų | 95 | 120.2 Ų | 120.2 | 64% | 0.642 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -31.5 | 173.5 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | R434 L440 | R434-C436 VanDerWaalsContact C-N 3.26Å; R434-C436 PolarHBondContact O-N 2.97Å; C436-L440 VanDerWaalsContact O-CB 3.23Å; C436-L440 WeakPolarHBondContact O-CB 3.41Å; C436-L440 PolarHBondContact O-N 3.45Å |
| 437 | D | 65.9 | Low | 66.6 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 48% | 0.481 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.4 | -40.3 | -179.9 | -157.9 | 16.7 | 0 | 0 | 0 | 111.1 | R434 C435 E439 L440 S441 | R434-D437 WeakPolarHBondContact O-CA 3.5Å; R434-D437 WeakPolarHBondContact O-CB 3.33Å; R434-D437 PolarHBondContact O-N 3.27Å; C435-D437 VanDerWaalsContact C-N 3.31Å; C435-D437 PolarHBondContact O-N 2.94Å; D437-E439 PolarHBondContact O-N 3.17Å; D437-L440 PolarHBondContact O-N 3.17Å; D437-S441 WeakPolarHBondContact O-CB 3.27Å; D437-S441 PolarHBondContact O-N 3.3Å; D437-S441 PolarHBondContact O-OG 2.96Å |
| 438 | E | 76.2 | Confident | 69.5 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -33.4 | 173.1 | -76.8 | 105.2 | -149.5 | 0 | 0 | 113.1 | R434 K442 | R434-E438 PolarHBondContact O-N 2.72Å; R434-E438 VanDerWaalsContact O-OE2 3.09Å; E438-K442 WeakPolarHBondContact O-CD 3.41Å; E438-K442 VanDerWaalsContact O-CG 3.25Å; E438-K442 WeakPolarHBondContact O-CG 3.22Å; E438-K442 PolarHBondContact O-N 3.29Å |
| 439 | E | 79.6 | Confident | 71.9 | Confident | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79.9 | -35.6 | 174.6 | -165.7 | 172.9 | 129.8 | 0 | 0 | 112.8 | C435 D437 S441 K442 K443 | C435-E439 PolarHBondContact O-N 2.93Å; D437-E439 PolarHBondContact O-N 3.17Å; E439-S441 VanDerWaalsContact C-N 3.33Å; E439-K442 PolarHBondContact O-N 3.45Å; E439-K443 HydrophobicContact CG-CD 4.42Å; E439-K443 WeakPolarHBondContact O-CG 3.4Å; E439-K443 PolarHBondContact O-N 2.74Å; E439-K443 VanDerWaalsContact OE1-CE 3.24Å; E439-K443 WeakPolarHBondContact OE1-CE 3.4Å; E439-K443 IonicContact OE1-NZ 2.61Å; E439-K443 PolarHBondContact OE1-NZ 2.89Å |
| 440 | L | 84.4 | Confident | 74.4 | Confident | 114 Ų | 114 | 112 Ų | 112 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -45.5 | 169.7 | -171.4 | 75.7 | 0 | 0 | 0 | 110.6 | C436 D437 K442 K443 L444 | C436-L440 VanDerWaalsContact O-CB 3.23Å; C436-L440 WeakPolarHBondContact O-CB 3.41Å; C436-L440 PolarHBondContact O-N 3.45Å; D437-L440 PolarHBondContact O-N 3.17Å; L440-K442 PolarHBondContact O-N 3.19Å; L440-K443 PolarHBondContact O-N 3.45Å; L440-K443 VanDerWaalsContact O-N 3.15Å; L440-L444 WeakPolarHBondContact O-CB 3.3Å; L440-L444 PolarHBondContact O-N 2.98Å |
| 441 | S | 83.7 | Confident | 76.7 | Confident | 61 Ų | 61 | 107 Ų | 107 | 43% | 0.427 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -39.7 | 177.7 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | D437 E439 L444 A445 | D437-S441 WeakPolarHBondContact O-CB 3.27Å; D437-S441 PolarHBondContact O-N 3.3Å; D437-S441 PolarHBondContact O-OG 2.96Å; E439-S441 VanDerWaalsContact C-N 3.33Å; S441-L444 PolarHBondContact O-N 3.47Å; S441-A445 WeakPolarHBondContact O-CB 3.38Å; S441-A445 PolarHBondContact O-N 2.99Å |
| 442 | K | 88.2 | Confident | 79.1 | Confident | 145 Ų | 145 | 107.4 Ų | 107.4 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.4 | -39.7 | 174 | -72.1 | 162.6 | -167.2 | 164.8 | 0 | 112.2 | E438 E439 L440 A446 | E438-K442 WeakPolarHBondContact O-CD 3.41Å; E438-K442 VanDerWaalsContact O-CG 3.25Å; E438-K442 WeakPolarHBondContact O-CG 3.22Å; E438-K442 PolarHBondContact O-N 3.29Å; E439-K442 PolarHBondContact O-N 3.45Å; L440-K442 PolarHBondContact O-N 3.19Å; K442-A446 WeakPolarHBondContact O-CB 3.44Å; K442-A446 PolarHBondContact O-N 2.72Å |
| 443 | K | 91 | Very high | 81.6 | Confident | 125 Ų | 125 | 107.7 Ų | 107.7 | 54% | 0.543 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.2 | -37.7 | 176.8 | -71.2 | 169.1 | -175.4 | 167.4 | 0 | 111.8 | E439 L440 A446 A447 | E439-K443 HydrophobicContact CG-CD 4.42Å; E439-K443 WeakPolarHBondContact O-CG 3.4Å; E439-K443 PolarHBondContact O-N 2.74Å; E439-K443 VanDerWaalsContact OE1-CE 3.24Å; E439-K443 WeakPolarHBondContact OE1-CE 3.4Å; E439-K443 IonicContact OE1-NZ 2.61Å; E439-K443 PolarHBondContact OE1-NZ 2.89Å; L440-K443 PolarHBondContact O-N 3.45Å; L440-K443 VanDerWaalsContact O-N 3.15Å; K443-A446 PolarHBondContact O-N 2.95Å; K443-A447 WeakPolarHBondContact O-CB 3.46Å; K443-A447 PolarHBondContact O-N 2.86Å |
| 444 | L | 91.3 | Very high | 83.9 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 172.6 | 179.8 | 61.2 | 0 | 0 | 0 | 110.8 | L440 S441 A446 A447 E448 | L440-L444 WeakPolarHBondContact O-CB 3.3Å; L440-L444 PolarHBondContact O-N 2.98Å; S441-L444 PolarHBondContact O-N 3.47Å; L444-A446 VanDerWaalsContact C-N 3.27Å; L444-A446 PolarHBondContact O-N 3.47Å; L444-A447 CarbonylContact O-C 3.53Å; L444-A447 PolarHBondContact O-N 2.9Å; L444-E448 HydrophobicContact CD1-CG 4.29Å; L444-E448 HydrophobicContact CG-CG 4.43Å; L444-E448 WeakPolarHBondContact O-CG 3.47Å; L444-E448 PolarHBondContact O-N 2.89Å |
| 445 | A | 91.4 | Very high | 86.1 | Confident | 52 Ų | 52 | 95.2 Ų | 95.2 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S441 L449 | S441-A445 WeakPolarHBondContact O-CB 3.38Å; S441-A445 PolarHBondContact O-N 2.99Å; A445-L449 WeakPolarHBondContact O-CB 3.41Å; A445-L449 PolarHBondContact O-N 3.1Å |
| 446 | A | 92.2 | Very high | 88.2 | Confident | 58 Ų | 58 | 96.4 Ų | 96.4 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K442 K443 L444 L449 E450 | K442-A446 WeakPolarHBondContact O-CB 3.44Å; K442-A446 PolarHBondContact O-N 2.72Å; K443-A446 PolarHBondContact O-N 2.95Å; L444-A446 VanDerWaalsContact C-N 3.27Å; L444-A446 PolarHBondContact O-N 3.47Å; A446-L449 PolarHBondContact O-N 3.13Å; A446-E450 PolarHBondContact O-N 2.9Å |
| 447 | A | 93.1 | Very high | 90.1 | Very high | 44 Ų | 44 | 97.2 Ų | 97.2 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K443 L444 E450 V451 | K443-A447 WeakPolarHBondContact O-CB 3.46Å; K443-A447 PolarHBondContact O-N 2.86Å; L444-A447 CarbonylContact O-C 3.53Å; L444-A447 PolarHBondContact O-N 2.9Å; A447-E450 PolarHBondContact O-N 2.94Å; A447-V451 WeakPolarHBondContact O-CB 3.31Å; A447-V451 VanDerWaalsContact O-CG2 3.29Å; A447-V451 WeakPolarHBondContact O-CG2 3.27Å; A447-V451 PolarHBondContact O-N 3.37Å |
| 448 | E | 92.8 | Very high | 91.6 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 172.6 | -73.7 | 175 | 170.1 | 0 | 0 | 111.3 | L444 V451 L452 | L444-E448 HydrophobicContact CD1-CG 4.29Å; L444-E448 HydrophobicContact CG-CG 4.43Å; L444-E448 WeakPolarHBondContact O-CG 3.47Å; L444-E448 PolarHBondContact O-N 2.89Å; E448-V451 PolarHBondContact O-N 3.44Å; E448-L452 WeakPolarHBondContact O-CB 3.5Å; E448-L452 VanDerWaalsContact O-CG 3.3Å; E448-L452 WeakPolarHBondContact O-CG 3.31Å; E448-L452 PolarHBondContact O-N 2.95Å |
| 449 | L | 94.8 | Very high | 92.6 | Very high | 121 Ų | 121 | 99.7 Ų | 99.7 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 174.5 | -175.4 | 64 | 0 | 0 | 0 | 112 | A445 A446 L452 H453 | A445-L449 WeakPolarHBondContact O-CB 3.41Å; A445-L449 PolarHBondContact O-N 3.1Å; A446-L449 PolarHBondContact O-N 3.13Å; L449-L452 PolarHBondContact O-N 3.14Å; L449-H453 WeakPolarHBondContact O-CB 3.38Å; L449-H453 PolarHBondContact O-N 3.48Å |
| 450 | E | 94.6 | Very high | 93.4 | Very high | 123 Ų | 123 | 99.7 Ų | 99.7 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 173.7 | -174.5 | 173.6 | -170.7 | 0 | 0 | 111.7 | A446 A447 L452 H453 L454 | A446-E450 PolarHBondContact O-N 2.9Å; A447-E450 PolarHBondContact O-N 2.94Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.25Å; E450-H453 PolarHBondContact O-N 3.5Å; E450-L454 HydrophobicContact CG-CD1 4.06Å; E450-L454 HydrophobicContact CG-CG 4.46Å; E450-L454 WeakPolarHBondContact O-CB 3.38Å; E450-L454 WeakPolarHBondContact O-CG 3.43Å; E450-L454 PolarHBondContact O-N 2.86Å |
| 451 | V | 95.2 | Very high | 94.1 | Very high | 92 Ų | 92 | 96 Ų | 96 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 174.2 | 167 | 0 | 0 | 0 | 0 | 111.2 | A447 E448 N455 | A447-V451 WeakPolarHBondContact O-CB 3.31Å; A447-V451 VanDerWaalsContact O-CG2 3.29Å; A447-V451 WeakPolarHBondContact O-CG2 3.27Å; A447-V451 PolarHBondContact O-N 3.37Å; E448-V451 PolarHBondContact O-N 3.44Å; V451-N455 WeakPolarHBondContact O-CB 3.45Å; V451-N455 PolarHBondContact O-N 3.32Å |
| 452 | L | 95.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.2 | -74.2 | 171.9 | 0 | 0 | 0 | 112 | E448 L449 E450 N455 L456 | E448-L452 WeakPolarHBondContact O-CB 3.5Å; E448-L452 VanDerWaalsContact O-CG 3.3Å; E448-L452 WeakPolarHBondContact O-CG 3.31Å; E448-L452 PolarHBondContact O-N 2.95Å; L449-L452 PolarHBondContact O-N 3.14Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.25Å; L452-N455 PolarHBondContact O-N 3.32Å; L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.26Å |
| 453 | H | 95.8 | Very high | 95.2 | Very high | 132 Ų | 132 | 95.7 Ų | 95.7 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 176.2 | -179 | -150.4 | 0 | 0 | 0 | 111.8 | L449 E450 N455 L456 F457 | L449-H453 WeakPolarHBondContact O-CB 3.38Å; L449-H453 PolarHBondContact O-N 3.48Å; E450-H453 PolarHBondContact O-N 3.5Å; H453-N455 VanDerWaalsContact C-N 3.33Å; H453-N455 PolarHBondContact O-N 3.11Å; H453-L456 PolarHBondContact O-N 3.39Å; H453-F457 WeakPolarHBondContact O-CB 3.32Å; H453-F457 PolarHBondContact O-N 3.2Å |
| 454 | L | 96.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 95.3 Ų | 95.3 | 40% | 0.403 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173 | -74.2 | 168.5 | 0 | 0 | 0 | 111.4 | E450 F457 F458 | E450-L454 HydrophobicContact CG-CD1 4.06Å; E450-L454 HydrophobicContact CG-CG 4.46Å; E450-L454 WeakPolarHBondContact O-CB 3.38Å; E450-L454 WeakPolarHBondContact O-CG 3.43Å; E450-L454 PolarHBondContact O-N 2.86Å; L454-F457 PolarHBondContact O-N 3Å; L454-F458 HydrophobicContact CB-CD2 4.44Å; L454-F458 HydrophobicContact CB-CE2 4.44Å; L454-F458 WeakPolarHBondContact O-CB 3.41Å; L454-F458 WeakPolarHBondContact O-CD2 3.47Å; L454-F458 PolarHBondContact O-N 3.41Å |
| 455 | N | 96.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.4 | -171.1 | -48.4 | 0 | 0 | 0 | 111.8 | V451 L452 H453 K459 | V451-N455 WeakPolarHBondContact O-CB 3.45Å; V451-N455 PolarHBondContact O-N 3.32Å; L452-N455 PolarHBondContact O-N 3.32Å; H453-N455 VanDerWaalsContact C-N 3.33Å; H453-N455 PolarHBondContact O-N 3.11Å; N455-K459 WeakPolarHBondContact O-CB 3.17Å; N455-K459 WeakPolarHBondContact O-CG 3.49Å; N455-K459 PolarHBondContact O-N 3.16Å; N455-K459 WeakPolarHBondContact OD1-CD 3.16Å; N455-K459 WeakPolarHBondContact OD1-CE 3.48Å; N455-K459 PolarHBondContact OD1-NZ 3.2Å |
| 456 | L | 96.6 | Very high | 96.1 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 172.6 | -71.4 | 170.4 | 0 | 0 | 0 | 112.2 | L452 H453 K459 Q460 | L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.26Å; H453-L456 PolarHBondContact O-N 3.39Å; L456-K459 PolarHBondContact O-N 2.89Å; L456-Q460 PolarHBondContact O-N 3.12Å |
| 457 | F | 97.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 99.9 Ų | 99.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 174.7 | -179 | -101.1 | 0 | 0 | 0 | 111.7 | H453 L454 K459 Q460 V461 | H453-F457 WeakPolarHBondContact O-CB 3.32Å; H453-F457 PolarHBondContact O-N 3.2Å; L454-F457 PolarHBondContact O-N 3Å; F457-K459 VanDerWaalsContact C-N 3.29Å; F457-K459 PolarHBondContact O-N 3.04Å; F457-Q460 PolarHBondContact O-N 2.98Å; F457-Q460 VanDerWaalsContact O-N 3.08Å; F457-V461 HydrophobicContact CD1-CG2 4.08Å; F457-V461 HydrophobicContact CD2-CG2 4.49Å; F457-V461 HydrophobicContact CE1-CG2 3.72Å; F457-V461 HydrophobicContact CE2-CG2 4.16Å; F457-V461 HydrophobicContact CG-CG2 4.45Å; F457-V461 HydrophobicContact CZ-CG2 3.76Å; F457-V461 WeakPolarHBondContact O-CB 3.47Å; F457-V461 WeakPolarHBondContact O-CG2 3.43Å; F457-V461 PolarHBondContact O-N 3.43Å |
| 458 | F | 97 | Very high | 96.6 | Very high | 127 Ų | 127 | 102.2 Ų | 102.2 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.1 | -35.9 | 174.9 | -80.8 | -60.9 | 0 | 0 | 0 | 112.7 | L454 T462 | L454-F458 HydrophobicContact CB-CD2 4.44Å; L454-F458 HydrophobicContact CB-CE2 4.44Å; L454-F458 WeakPolarHBondContact O-CB 3.41Å; L454-F458 WeakPolarHBondContact O-CD2 3.47Å; L454-F458 PolarHBondContact O-N 3.41Å; F458-T462 VanDerWaalsContact O-CB 3.25Å; F458-T462 WeakPolarHBondContact O-CB 3.25Å; F458-T462 PolarHBondContact O-N 3.49Å; F458-T462 PolarHBondContact O-OG1 3.08Å |
| 459 | K | 97.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 101.5 Ų | 101.5 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 170.7 | -79.2 | 164.4 | 173.8 | 155.9 | 0 | 111.6 | N455 L456 F457 V461 T462 L463 | N455-K459 WeakPolarHBondContact O-CB 3.17Å; N455-K459 WeakPolarHBondContact O-CG 3.49Å; N455-K459 PolarHBondContact O-N 3.16Å; N455-K459 WeakPolarHBondContact OD1-CD 3.16Å; N455-K459 WeakPolarHBondContact OD1-CE 3.48Å; N455-K459 PolarHBondContact OD1-NZ 3.2Å; L456-K459 PolarHBondContact O-N 2.89Å; F457-K459 VanDerWaalsContact C-N 3.29Å; F457-K459 PolarHBondContact O-N 3.04Å; K459-V461 PolarHBondContact O-N 3.02Å; K459-T462 PolarHBondContact O-N 2.83Å; K459-L463 WeakPolarHBondContact O-CB 3.18Å; K459-L463 VanDerWaalsContact O-CG 3.28Å; K459-L463 WeakPolarHBondContact O-CG 3.32Å; K459-L463 PolarHBondContact O-N 3.14Å |
| 460 | Q | 97.4 | Very high | 97 | Very high | 103 Ų | 103 | 101.2 Ų | 101.2 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 177.6 | -164.4 | -165 | 91.1 | 0 | 0 | 112.1 | L456 F457 K464 | L456-Q460 PolarHBondContact O-N 3.12Å; F457-Q460 PolarHBondContact O-N 2.98Å; F457-Q460 VanDerWaalsContact O-N 3.08Å; Q460-K464 WeakPolarHBondContact O-CG 3.28Å; Q460-K464 PolarHBondContact O-N 2.81Å |
| 461 | V | 97.4 | Very high | 97.2 | Very high | 36 Ų | 36 | 99 Ų | 99 | 22% | 0.218 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 177 | 169.7 | 0 | 0 | 0 | 0 | 111 | F457 K459 L463 K464 Y465 | F457-V461 HydrophobicContact CD1-CG2 4.08Å; F457-V461 HydrophobicContact CD2-CG2 4.49Å; F457-V461 HydrophobicContact CE1-CG2 3.72Å; F457-V461 HydrophobicContact CE2-CG2 4.16Å; F457-V461 HydrophobicContact CG-CG2 4.45Å; F457-V461 HydrophobicContact CZ-CG2 3.76Å; F457-V461 WeakPolarHBondContact O-CB 3.47Å; F457-V461 WeakPolarHBondContact O-CG2 3.43Å; F457-V461 PolarHBondContact O-N 3.43Å; K459-V461 PolarHBondContact O-N 3.02Å; V461-L463 PolarHBondContact O-N 2.97Å; V461-K464 PolarHBondContact O-N 2.8Å; V461-Y465 HydrophobicContact CG1-CD2 3.73Å; V461-Y465 HydrophobicContact CG1-CE2 3.41Å; V461-Y465 VanDerWaalsContact CG1-CE2 3.41Å; V461-Y465 VanDerWaalsContact O-CD2 3.28Å; V461-Y465 WeakPolarHBondContact O-CD2 3.4Å; V461-Y465 PolarHBondContact O-N 3.13Å |
| 462 | T | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | F458 K459 K464 Y465 T466 | F458-T462 VanDerWaalsContact O-CB 3.25Å; F458-T462 WeakPolarHBondContact O-CB 3.25Å; F458-T462 PolarHBondContact O-N 3.49Å; F458-T462 PolarHBondContact O-OG1 3.08Å; K459-T462 PolarHBondContact O-N 2.83Å; T462-K464 VanDerWaalsContact C-N 3.35Å; T462-K464 PolarHBondContact O-N 2.82Å; T462-Y465 PolarHBondContact O-N 3.13Å; T462-Y465 VanDerWaalsContact O-N 3.15Å; T462-T466 HydrophobicContact CG2-CG2 4.41Å; T462-T466 PolarHBondContact O-N 2.73Å; T462-T466 PolarHBondContact O-OG1 2.94Å |
| 463 | L | 97.8 | Very high | 97.5 | Very high | 118 Ų | 118 | 98.5 Ų | 98.5 | 62% | 0.618 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 179 | -75.3 | 169.1 | 0 | 0 | 0 | 112.6 | K459 V461 T466 E467 | K459-L463 WeakPolarHBondContact O-CB 3.18Å; K459-L463 VanDerWaalsContact O-CG 3.28Å; K459-L463 WeakPolarHBondContact O-CG 3.32Å; K459-L463 PolarHBondContact O-N 3.14Å; V461-L463 PolarHBondContact O-N 2.97Å; L463-T466 WeakPolarHBondContact CA-OG1 3.48Å; L463-T466 PolarHBondContact O-N 3.44Å; L463-T466 PolarHBondContact O-OG1 3.09Å; L463-E467 WeakPolarHBondContact O-CB 3.48Å; L463-E467 PolarHBondContact O-N 3.48Å |
| 464 | K | 97.8 | Very high | 97.6 | Very high | 118 Ų | 118 | 95.7 Ų | 95.7 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.2 | -74.1 | 170.6 | -176.9 | 170 | 0 | 111.3 | Q460 V461 T462 E467 E468 | Q460-K464 WeakPolarHBondContact O-CG 3.28Å; Q460-K464 PolarHBondContact O-N 2.81Å; V461-K464 PolarHBondContact O-N 2.8Å; T462-K464 VanDerWaalsContact C-N 3.35Å; T462-K464 PolarHBondContact O-N 2.82Å; K464-E467 PolarHBondContact O-N 3.18Å; K464-E468 PolarHBondContact O-N 3.06Å |
| 465 | Y | 97.9 | Very high | 97.7 | Very high | 162 Ų | 162 | 97.9 Ų | 97.9 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 178.5 | -72.6 | -53 | 0 | 0 | 0 | 113.1 | V461 T462 E467 E468 I469 | V461-Y465 HydrophobicContact CG1-CD2 3.73Å; V461-Y465 HydrophobicContact CG1-CE2 3.41Å; V461-Y465 VanDerWaalsContact CG1-CE2 3.41Å; V461-Y465 VanDerWaalsContact O-CD2 3.28Å; V461-Y465 WeakPolarHBondContact O-CD2 3.4Å; V461-Y465 PolarHBondContact O-N 3.13Å; T462-Y465 PolarHBondContact O-N 3.13Å; T462-Y465 VanDerWaalsContact O-N 3.15Å; Y465-E467 VanDerWaalsContact C-N 3.27Å; Y465-E467 PolarHBondContact O-N 2.86Å; Y465-E468 PolarHBondContact O-N 3.37Å; Y465-I469 WeakPolarHBondContact O-CB 3.41Å; Y465-I469 VanDerWaalsContact O-CG1 3.26Å; Y465-I469 WeakPolarHBondContact O-CG1 3.34Å; Y465-I469 PolarHBondContact O-N 3.01Å |
| 466 | T | 97.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 99.3 Ų | 99.3 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | T462 L463 R470 | T462-T466 HydrophobicContact CG2-CG2 4.41Å; T462-T466 PolarHBondContact O-N 2.73Å; T462-T466 PolarHBondContact O-OG1 2.94Å; L463-T466 WeakPolarHBondContact CA-OG1 3.48Å; L463-T466 PolarHBondContact O-N 3.44Å; L463-T466 PolarHBondContact O-OG1 3.09Å; T466-R470 WeakPolarHBondContact O-CB 3.5Å; T466-R470 PolarHBondContact O-N 2.82Å |
| 467 | E | 98.1 | Very high | 97.9 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 32% | 0.318 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.2 | -36.4 | 177 | 175.7 | 56.2 | -163.1 | 0 | 0 | 112.3 | L463 K464 Y465 R470 K471 | L463-E467 WeakPolarHBondContact O-CB 3.48Å; L463-E467 PolarHBondContact O-N 3.48Å; K464-E467 PolarHBondContact O-N 3.18Å; Y465-E467 VanDerWaalsContact C-N 3.27Å; Y465-E467 PolarHBondContact O-N 2.86Å; E467-R470 VanDerWaalsContact CD-NH2 3.34Å; E467-R470 PolarHBondContact O-N 2.94Å; E467-R470 IonicContact OE1-CZ 2.73Å; E467-R470 IonicContact OE1-NE 2.72Å; E467-R470 IonicContact OE1-NH2 2.72Å; E467-R470 PolarHBondContact OE1-NH2 2.96Å; E467-R470 IonicContact OE2-CZ 3.17Å; E467-R470 IonicContact OE2-NE 3.19Å; E467-R470 PolarHBondContact OE2-NE 3.49Å; E467-R470 IonicContact OE2-NH2 3.76Å; E467-R470 PolarHBondContact OE2-NH2 3.3Å; E467-K471 VanDerWaalsContact O-CG 3.27Å; E467-K471 WeakPolarHBondContact O-CG 3.46Å; E467-K471 PolarHBondContact O-N 3.34Å; E467-K471 WeakPolarHBondContact OE1-CE 3.42Å; E467-K471 IonicContact OE1-NZ 3.97Å |
| 468 | E | 97.8 | Very high | 97.9 | Very high | 93 Ų | 93 | 96 Ų | 96 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 171 | -66.2 | -49.5 | 134 | 0 | 0 | 112.9 | K464 Y465 K471 L472 | K464-E468 PolarHBondContact O-N 3.06Å; Y465-E468 PolarHBondContact O-N 3.37Å; E468-K471 PolarHBondContact O-N 2.95Å; E468-K471 IonicContact OE1-NZ 2.63Å; E468-K471 PolarHBondContact OE1-NZ 3.17Å; E468-K471 WeakPolarHBondContact OE2-CD 3.43Å; E468-K471 IonicContact OE2-NZ 3.91Å; E468-L472 WeakPolarHBondContact O-CG 3.48Å; E468-L472 PolarHBondContact O-N 3.3Å |
| 469 | I | 98 | Very high | 98 | Very high | 91 Ų | 91 | 98.1 Ų | 98.1 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 170.8 | -70.2 | 163.8 | 0 | 0 | 0 | 109.7 | Y465 K471 L472 E473 | Y465-I469 WeakPolarHBondContact O-CB 3.41Å; Y465-I469 VanDerWaalsContact O-CG1 3.26Å; Y465-I469 WeakPolarHBondContact O-CG1 3.34Å; Y465-I469 PolarHBondContact O-N 3.01Å; I469-K471 VanDerWaalsContact C-N 3.29Å; I469-K471 PolarHBondContact O-N 3.34Å; I469-L472 CarbonylContact O-C 3.59Å; I469-L472 WeakPolarHBondContact O-CA 3.1Å; I469-L472 WeakPolarHBondContact O-CB 3.29Å; I469-L472 PolarHBondContact O-N 3.47Å; I469-E473 WeakPolarHBondContact O-CG 3.3Å; I469-E473 PolarHBondContact O-N 3.17Å |
| 470 | R | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 96.3 Ų | 96.3 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 176.9 | -165 | -167.2 | 66.4 | 73.1 | 2 | 112.7 | T466 E467 E473 E474 | T466-R470 WeakPolarHBondContact O-CB 3.5Å; T466-R470 PolarHBondContact O-N 2.82Å; E467-R470 VanDerWaalsContact CD-NH2 3.34Å; E467-R470 PolarHBondContact O-N 2.94Å; E467-R470 IonicContact OE1-CZ 2.73Å; E467-R470 IonicContact OE1-NE 2.72Å; E467-R470 IonicContact OE1-NH2 2.72Å; E467-R470 PolarHBondContact OE1-NH2 2.96Å; E467-R470 IonicContact OE2-CZ 3.17Å; E467-R470 IonicContact OE2-NE 3.19Å; E467-R470 PolarHBondContact OE2-NE 3.49Å; E467-R470 IonicContact OE2-NH2 3.76Å; E467-R470 PolarHBondContact OE2-NH2 3.3Å; R470-E473 PolarHBondContact O-N 3.46Å; R470-E474 PolarHBondContact O-N 3.23Å; R470-E474 VanDerWaalsContact O-N 3.1Å |
| 471 | K | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 98.8 Ų | 98.8 | 34% | 0.335 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 173 | -72.4 | 165.1 | -171.4 | 170 | 0 | 112.7 | E467 E468 I469 K475 | E467-K471 VanDerWaalsContact O-CG 3.27Å; E467-K471 WeakPolarHBondContact O-CG 3.46Å; E467-K471 PolarHBondContact O-N 3.34Å; E467-K471 WeakPolarHBondContact OE1-CE 3.42Å; E467-K471 IonicContact OE1-NZ 3.97Å; E468-K471 PolarHBondContact O-N 2.95Å; E468-K471 IonicContact OE1-NZ 2.63Å; E468-K471 PolarHBondContact OE1-NZ 3.17Å; E468-K471 WeakPolarHBondContact OE2-CD 3.43Å; E468-K471 IonicContact OE2-NZ 3.91Å; I469-K471 VanDerWaalsContact C-N 3.29Å; I469-K471 PolarHBondContact O-N 3.34Å; K471-K475 VanDerWaalsContact O-CG 3.31Å; K471-K475 WeakPolarHBondContact O-CG 3.32Å; K471-K475 PolarHBondContact O-N 3.43Å; K471-K475 VanDerWaalsContact O-N 3.17Å |
| 472 | L | 98.2 | Very high | 98.1 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71 | -39.6 | 174.1 | -70.9 | 169.6 | 0 | 0 | 0 | 111.6 | E468 I469 E474 K475 I476 | E468-L472 WeakPolarHBondContact O-CG 3.48Å; E468-L472 PolarHBondContact O-N 3.3Å; I469-L472 CarbonylContact O-C 3.59Å; I469-L472 WeakPolarHBondContact O-CA 3.1Å; I469-L472 WeakPolarHBondContact O-CB 3.29Å; I469-L472 PolarHBondContact O-N 3.47Å; L472-E474 PolarHBondContact O-N 2.89Å; L472-K475 HydrophobicContact CD2-CD 4.35Å; L472-K475 CarbonylContact O-C 3.59Å; L472-K475 WeakPolarHBondContact O-CB 3.45Å; L472-K475 PolarHBondContact O-N 3.35Å; L472-I476 WeakPolarHBondContact O-CG1 3.49Å; L472-I476 PolarHBondContact O-N 3.04Å |
| 473 | E | 98.1 | Very high | 98.2 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 172.9 | -70.5 | 176.7 | -169.7 | 0 | 0 | 112.3 | I469 R470 K475 I476 K477 | I469-E473 WeakPolarHBondContact O-CG 3.3Å; I469-E473 PolarHBondContact O-N 3.17Å; R470-E473 PolarHBondContact O-N 3.46Å; E473-K475 VanDerWaalsContact C-N 3.31Å; E473-K475 PolarHBondContact O-N 3.45Å; E473-I476 WeakPolarHBondContact O-CB 3.29Å; E473-I476 PolarHBondContact O-N 2.69Å; E473-I476 VanDerWaalsContact O-N 3.13Å; E473-K477 WeakPolarHBondContact O-CB 3.36Å; E473-K477 WeakPolarHBondContact O-CD 3.42Å; E473-K477 VanDerWaalsContact O-CG 3.29Å; E473-K477 WeakPolarHBondContact O-CG 3.33Å; E473-K477 PolarHBondContact O-N 2.93Å; E473-K477 IonicContact OE2-NZ 3.78Å; E473-K477 PolarHBondContact OE2-NZ 3.33Å |
| 474 | E | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 101.5 Ų | 101.5 | 34% | 0.341 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.2 | -30.9 | 176.1 | -69.4 | -52.9 | 137 | 0 | 0 | 112.8 | R470 L472 K477 T478 | R470-E474 PolarHBondContact O-N 3.23Å; R470-E474 VanDerWaalsContact O-N 3.1Å; L472-E474 PolarHBondContact O-N 2.89Å; E474-K477 VanDerWaalsContact CD-CD 3.5Å; E474-K477 WeakPolarHBondContact OE1-CD 3.43Å; E474-K477 WeakPolarHBondContact OE1-CE 3.36Å; E474-K477 IonicContact OE1-NZ 2.74Å; E474-K477 PolarHBondContact OE1-NZ 3.44Å; E474-T478 WeakPolarHBondContact O-CB 3.45Å; E474-T478 WeakPolarHBondContact O-CG2 3.43Å; E474-T478 PolarHBondContact O-N 2.9Å; E474-T478 PolarHBondContact O-OG1 3.22Å |
| 475 | K | 98.4 | Very high | 98.3 | Very high | 124 Ų | 124 | 98.9 Ų | 98.9 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 169 | -73.6 | 168.1 | -178.7 | 173.7 | 0 | 112.2 | K471 L472 E473 T478 R479 | K471-K475 VanDerWaalsContact O-CG 3.31Å; K471-K475 WeakPolarHBondContact O-CG 3.32Å; K471-K475 PolarHBondContact O-N 3.43Å; K471-K475 VanDerWaalsContact O-N 3.17Å; L472-K475 HydrophobicContact CD2-CD 4.35Å; L472-K475 CarbonylContact O-C 3.59Å; L472-K475 WeakPolarHBondContact O-CB 3.45Å; L472-K475 PolarHBondContact O-N 3.35Å; E473-K475 VanDerWaalsContact C-N 3.31Å; E473-K475 PolarHBondContact O-N 3.45Å; K475-T478 WeakPolarHBondContact CA-OG1 3.47Å; K475-T478 PolarHBondContact O-OG1 2.94Å; K475-R479 VanDerWaalsContact O-CG 3.31Å; K475-R479 WeakPolarHBondContact O-CG 3.48Å; K475-R479 PolarHBondContact O-N 2.97Å; K475-R479 VanDerWaalsContact O-N 3.14Å |
| 476 | I | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 94.8 Ų | 94.8 | 51% | 0.508 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69 | -52.6 | 173.3 | -68.3 | 163.9 | 0 | 0 | 0 | 109.8 | L472 E473 T478 R479 D480 | L472-I476 WeakPolarHBondContact O-CG1 3.49Å; L472-I476 PolarHBondContact O-N 3.04Å; E473-I476 WeakPolarHBondContact O-CB 3.29Å; E473-I476 PolarHBondContact O-N 2.69Å; E473-I476 VanDerWaalsContact O-N 3.13Å; I476-T478 PolarHBondContact O-N 3.48Å; I476-T478 VanDerWaalsContact O-N 3.09Å; I476-R479 CarbonylContact O-C 3.56Å; I476-R479 WeakPolarHBondContact O-CA 3.34Å; I476-R479 WeakPolarHBondContact O-CB 3.46Å; I476-R479 PolarHBondContact O-N 2.89Å; I476-D480 WeakPolarHBondContact CG2-OD2 3.44Å; I476-D480 PolarHBondContact O-N 2.87Å |
| 477 | K | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 98.2 Ų | 98.2 | 37% | 0.365 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.5 | -28.2 | 176.6 | -67.8 | 156.5 | 178.2 | 159.5 | 0 | 113.9 | E473 E474 R481 | E473-K477 WeakPolarHBondContact O-CB 3.36Å; E473-K477 WeakPolarHBondContact O-CD 3.42Å; E473-K477 VanDerWaalsContact O-CG 3.29Å; E473-K477 WeakPolarHBondContact O-CG 3.33Å; E473-K477 PolarHBondContact O-N 2.93Å; E473-K477 IonicContact OE2-NZ 3.78Å; E473-K477 PolarHBondContact OE2-NZ 3.33Å; E474-K477 VanDerWaalsContact CD-CD 3.5Å; E474-K477 WeakPolarHBondContact OE1-CD 3.43Å; E474-K477 WeakPolarHBondContact OE1-CE 3.36Å; E474-K477 IonicContact OE1-NZ 2.74Å; E474-K477 PolarHBondContact OE1-NZ 3.44Å; K477-R481 WeakPolarHBondContact O-CG 3.45Å; K477-R481 PolarHBondContact O-N 3.33Å; K477-R481 PolarHBondContact O-NE 2.85Å |
| 478 | T | 98.3 | Very high | 98.4 | Very high | 71 Ų | 71 | 101.7 Ų | 101.7 | 44% | 0.436 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -79.4 | -39.5 | 172.4 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | E474 K475 I476 R481 Y482 | E474-T478 WeakPolarHBondContact O-CB 3.45Å; E474-T478 WeakPolarHBondContact O-CG2 3.43Å; E474-T478 PolarHBondContact O-N 2.9Å; E474-T478 PolarHBondContact O-OG1 3.22Å; K475-T478 WeakPolarHBondContact CA-OG1 3.47Å; K475-T478 PolarHBondContact O-OG1 2.94Å; I476-T478 PolarHBondContact O-N 3.48Å; I476-T478 VanDerWaalsContact O-N 3.09Å; T478-R481 PolarHBondContact O-N 2.88Å; T478-Y482 PolarHBondContact O-N 3.27Å |
| 479 | R | 98.4 | Very high | 98.4 | Very high | 172 Ų | 172 | 103.2 Ų | 103.2 | 65% | 0.649 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.9 | -40.5 | 171.5 | -72.2 | 176.2 | 69 | 89.7 | 0 | 112.3 | K475 I476 R481 Y482 I483 | K475-R479 VanDerWaalsContact O-CG 3.31Å; K475-R479 WeakPolarHBondContact O-CG 3.48Å; K475-R479 PolarHBondContact O-N 2.97Å; K475-R479 VanDerWaalsContact O-N 3.14Å; I476-R479 CarbonylContact O-C 3.56Å; I476-R479 WeakPolarHBondContact O-CA 3.34Å; I476-R479 WeakPolarHBondContact O-CB 3.46Å; I476-R479 PolarHBondContact O-N 2.89Å; R479-R481 PolarHBondContact O-N 3.48Å; R479-Y482 CarbonylContact O-C 3.49Å; R479-Y482 WeakPolarHBondContact O-CA 3.36Å; R479-Y482 WeakPolarHBondContact O-CB 3.47Å; R479-Y482 PolarHBondContact O-N 2.95Å; R479-Y482 VanDerWaalsContact O-N 3.13Å; R479-I483 VanDerWaalsContact O-CG1 3.3Å; R479-I483 WeakPolarHBondContact O-CG1 3.29Å; R479-I483 PolarHBondContact O-N 3.36Å |
| 480 | D | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 107 Ų | 107 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 178.6 | -64.3 | -32.2 | 0 | 0 | 0 | 112.2 | I476 Y482 I483 T484 | I476-D480 WeakPolarHBondContact CG2-OD2 3.44Å; I476-D480 PolarHBondContact O-N 2.87Å; D480-Y482 VanDerWaalsContact C-N 3.35Å; D480-I483 PolarHBondContact O-N 3.12Å; D480-T484 VanDerWaalsContact O-CB 3.29Å; D480-T484 WeakPolarHBondContact O-CB 3.37Å; D480-T484 PolarHBondContact O-N 2.91Å; D480-T484 PolarHBondContact O-OG1 3.47Å |
| 481 | R | 98.4 | Very high | 98.4 | Very high | 156 Ų | 156 | 106.2 Ų | 106.2 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 169.5 | -78.7 | -178.6 | -77.1 | 178.4 | -7.1 | 111.9 | K477 T478 R479 T484 S485 | K477-R481 WeakPolarHBondContact O-CG 3.45Å; K477-R481 PolarHBondContact O-N 3.33Å; K477-R481 PolarHBondContact O-NE 2.85Å; T478-R481 PolarHBondContact O-N 2.88Å; R479-R481 PolarHBondContact O-N 3.48Å; R481-T484 PolarHBondContact O-N 2.74Å; R481-S485 WeakPolarHBondContact O-CB 3.35Å; R481-S485 PolarHBondContact O-N 2.86Å |
| 482 | Y | 98.6 | Very high | 98.4 | Very high | 148 Ų | 148 | 109.7 Ų | 109.7 | 58% | 0.58 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66 | -45.9 | 174.9 | 177.6 | -109.6 | 0 | 0 | 0 | 112.5 | T478 R479 D480 T484 S485 L486 | T478-Y482 PolarHBondContact O-N 3.27Å; R479-Y482 CarbonylContact O-C 3.49Å; R479-Y482 WeakPolarHBondContact O-CA 3.36Å; R479-Y482 WeakPolarHBondContact O-CB 3.47Å; R479-Y482 PolarHBondContact O-N 2.95Å; R479-Y482 VanDerWaalsContact O-N 3.13Å; D480-Y482 VanDerWaalsContact C-N 3.35Å; Y482-T484 VanDerWaalsContact C-N 3.3Å; Y482-T484 PolarHBondContact O-N 3.41Å; Y482-S485 WeakPolarHBondContact O-CB 3.31Å; Y482-S485 PolarHBondContact O-N 3.46Å; Y482-S485 VanDerWaalsContact O-N 3.12Å; Y482-L486 HydrophobicContact CD1-CD1 4.05Å; Y482-L486 HydrophobicContact CE1-CD1 3.45Å; Y482-L486 VanDerWaalsContact CE1-CD1 3.45Å; Y482-L486 HydrophobicContact CE1-CG 4.11Å; Y482-L486 HydrophobicContact CE2-CD1 4.44Å; Y482-L486 HydrophobicContact CE2-CD2 4.48Å; Y482-L486 HydrophobicContact CE2-CG 4.25Å; Y482-L486 PolarHBondContact O-N 3.37Å |
| 483 | I | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 110.5 Ų | 110.5 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.9 | -69.1 | 162.3 | 0 | 0 | 0 | 110.5 | R479 D480 L486 K487 | R479-I483 VanDerWaalsContact O-CG1 3.3Å; R479-I483 WeakPolarHBondContact O-CG1 3.29Å; R479-I483 PolarHBondContact O-N 3.36Å; D480-I483 PolarHBondContact O-N 3.12Å; I483-L486 PolarHBondContact O-N 3.42Å; I483-K487 HydrophobicContact CG2-CD 4.43Å; I483-K487 WeakPolarHBondContact O-CG 3.41Å; I483-K487 PolarHBondContact O-N 2.67Å |
| 484 | T | 98.5 | Very high | 98.3 | Very high | 73 Ų | 73 | 108.1 Ų | 108.1 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | D480 R481 Y482 K487 K488 | D480-T484 VanDerWaalsContact O-CB 3.29Å; D480-T484 WeakPolarHBondContact O-CB 3.37Å; D480-T484 PolarHBondContact O-N 2.91Å; D480-T484 PolarHBondContact O-OG1 3.47Å; R481-T484 PolarHBondContact O-N 2.74Å; Y482-T484 VanDerWaalsContact C-N 3.3Å; Y482-T484 PolarHBondContact O-N 3.41Å; T484-K487 PolarHBondContact O-N 2.82Å; T484-K488 WeakPolarHBondContact O-CB 3.4Å; T484-K488 WeakPolarHBondContact O-CG 3.46Å; T484-K488 PolarHBondContact O-N 3.26Å |
| 485 | S | 98.6 | Very high | 98.3 | Very high | 63 Ų | 63 | 108.5 Ų | 108.5 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 173.5 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | R481 Y482 K488 K489 | R481-S485 WeakPolarHBondContact O-CB 3.35Å; R481-S485 PolarHBondContact O-N 2.86Å; Y482-S485 WeakPolarHBondContact O-CB 3.31Å; Y482-S485 PolarHBondContact O-N 3.46Å; Y482-S485 VanDerWaalsContact O-N 3.12Å; S485-K488 CarbonylContact O-C 3.56Å; S485-K488 PolarHBondContact O-N 2.88Å; S485-K489 PolarHBondContact O-N 3.29Å |
| 486 | L | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 107.3 Ų | 107.3 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 173.5 | -75.5 | 178.3 | 0 | 0 | 0 | 112.1 | Y482 I483 K488 K489 Y490 | Y482-L486 HydrophobicContact CD1-CD1 4.05Å; Y482-L486 HydrophobicContact CE1-CD1 3.45Å; Y482-L486 VanDerWaalsContact CE1-CD1 3.45Å; Y482-L486 HydrophobicContact CE1-CG 4.11Å; Y482-L486 HydrophobicContact CE2-CD1 4.44Å; Y482-L486 HydrophobicContact CE2-CD2 4.48Å; Y482-L486 HydrophobicContact CE2-CG 4.25Å; Y482-L486 PolarHBondContact O-N 3.37Å; I483-L486 PolarHBondContact O-N 3.42Å; L486-K488 VanDerWaalsContact C-N 3.29Å; L486-K488 PolarHBondContact O-N 3.32Å; L486-K489 WeakPolarHBondContact O-CA 3.38Å; L486-K489 WeakPolarHBondContact O-CB 3.29Å; L486-K489 PolarHBondContact O-N 2.85Å; L486-Y490 PolarHBondContact O-N 3.32Å |
| 487 | K | 98.4 | Very high | 98.3 | Very high | 146 Ų | 146 | 107.2 Ų | 107.2 | 64% | 0.635 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.5 | -43.4 | 173.7 | -73.3 | 179.1 | 178.1 | -175.1 | 0 | 111.3 | I483 T484 K489 Y490 Q491 | I483-K487 HydrophobicContact CG2-CD 4.43Å; I483-K487 WeakPolarHBondContact O-CG 3.41Å; I483-K487 PolarHBondContact O-N 2.67Å; T484-K487 PolarHBondContact O-N 2.82Å; K487-K489 VanDerWaalsContact C-N 3.28Å; K487-K489 PolarHBondContact O-N 2.95Å; K487-Y490 PolarHBondContact O-N 3.13Å; K487-Q491 VanDerWaalsContact O-CB 3.32Å; K487-Q491 WeakPolarHBondContact O-CB 3.43Å; K487-Q491 PolarHBondContact O-N 3.05Å |
| 488 | K | 98.6 | Very high | 98.3 | Very high | 141 Ų | 141 | 108.5 Ų | 108.5 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.7 | -12 | 173.7 | -72.7 | -174.3 | 177.5 | -169.5 | 0 | 114.9 | T484 S485 L486 R492 | T484-K488 WeakPolarHBondContact O-CB 3.4Å; T484-K488 WeakPolarHBondContact O-CG 3.46Å; T484-K488 PolarHBondContact O-N 3.26Å; S485-K488 CarbonylContact O-C 3.56Å; S485-K488 PolarHBondContact O-N 2.88Å; L486-K488 VanDerWaalsContact C-N 3.29Å; L486-K488 PolarHBondContact O-N 3.32Å; K488-R492 PolarHBondContact O-NE 3.36Å; K488-R492 PolarHBondContact O-NH2 2.96Å |
| 489 | K | 98.6 | Very high | 98.3 | Very high | 124 Ų | 124 | 110.1 Ų | 110.1 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -86.8 | -52.4 | 167.9 | -75.7 | -178.6 | 176.9 | -171.9 | 0 | 110 | S485 L486 K487 Q491 R492 E493 | S485-K489 PolarHBondContact O-N 3.29Å; L486-K489 WeakPolarHBondContact O-CA 3.38Å; L486-K489 WeakPolarHBondContact O-CB 3.29Å; L486-K489 PolarHBondContact O-N 2.85Å; K487-K489 VanDerWaalsContact C-N 3.28Å; K487-K489 PolarHBondContact O-N 2.95Å; K489-Q491 VanDerWaalsContact C-N 3.3Å; K489-Q491 PolarHBondContact O-N 3.44Å; K489-R492 PolarHBondContact O-N 3.45Å; K489-R492 VanDerWaalsContact O-N 3.13Å; K489-E493 PolarHBondContact O-N 3.31Å |
| 490 | Y | 97.9 | Very high | 98.3 | Very high | 171 Ų | 171 | 105.7 Ų | 105.7 | 67% | 0.671 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -52.8 | -45.6 | 177.1 | 177.9 | -91.4 | 0 | 0 | 0 | 112.4 | L486 K487 R492 E493 S494 | L486-Y490 PolarHBondContact O-N 3.32Å; K487-Y490 PolarHBondContact O-N 3.13Å; Y490-R492 PolarHBondContact O-N 3.31Å; Y490-E493 PolarHBondContact O-N 2.98Å; Y490-S494 WeakPolarHBondContact O-CB 3.32Å; Y490-S494 PolarHBondContact O-N 2.93Å |
| 491 | Q | 98.1 | Very high | 98.3 | Very high | 97 Ų | 97 | 106 Ų | 106 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 178 | -178.1 | 59.3 | 31.7 | 0 | 0 | 112.3 | K487 K489 S494 E495 | K487-Q491 VanDerWaalsContact O-CB 3.32Å; K487-Q491 WeakPolarHBondContact O-CB 3.43Å; K487-Q491 PolarHBondContact O-N 3.05Å; K489-Q491 VanDerWaalsContact C-N 3.3Å; K489-Q491 PolarHBondContact O-N 3.44Å; Q491-S494 WeakPolarHBondContact O-CB 3.42Å; Q491-S494 PolarHBondContact O-N 2.79Å; Q491-E495 VanDerWaalsContact CG-OE1 3.29Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.16Å; Q491-E495 PolarHBondContact NE2-OE1 3.03Å; Q491-E495 VanDerWaalsContact O-CG 3.3Å; Q491-E495 WeakPolarHBondContact O-CG 3.41Å; Q491-E495 PolarHBondContact O-N 3.27Å |
| 492 | R | 98.1 | Very high | 98.2 | Very high | 151 Ų | 151 | 103.7 Ų | 103.7 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.9 | -32.3 | 178.9 | -75.3 | 179.9 | -65.9 | 128.3 | 5.3 | 113.5 | K488 K489 Y490 S494 E495 Q496 | K488-R492 PolarHBondContact O-NE 3.36Å; K488-R492 PolarHBondContact O-NH2 2.96Å; K489-R492 PolarHBondContact O-N 3.45Å; K489-R492 VanDerWaalsContact O-N 3.13Å; Y490-R492 PolarHBondContact O-N 3.31Å; R492-S494 VanDerWaalsContact C-N 3.34Å; R492-E495 WeakPolarHBondContact CA-OE2 3.28Å; R492-Q496 VanDerWaalsContact O-CB 3.31Å; R492-Q496 WeakPolarHBondContact O-CB 3.31Å; R492-Q496 PolarHBondContact O-N 3.46Å |
| 493 | E | 97.8 | Very high | 98.2 | Very high | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 171.5 | -163.5 | 69.9 | -128 | 0 | 0 | 110.2 | K489 Y490 Q496 N497 K500 | K489-E493 PolarHBondContact O-N 3.31Å; Y490-E493 PolarHBondContact O-N 2.98Å; E493-Q496 PolarHBondContact O-N 2.92Å; E493-N497 VanDerWaalsContact O-CB 3.28Å; E493-N497 WeakPolarHBondContact O-CB 3.46Å; E493-N497 PolarHBondContact O-N 3.07Å; E493-K500 IonicContact OE1-NZ 2.68Å |
| 494 | S | 97.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 104.9 Ų | 104.9 | 26% | 0.259 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | Y490 Q491 R492 N497 Q498 | Y490-S494 WeakPolarHBondContact O-CB 3.32Å; Y490-S494 PolarHBondContact O-N 2.93Å; Q491-S494 WeakPolarHBondContact O-CB 3.42Å; Q491-S494 PolarHBondContact O-N 2.79Å; R492-S494 VanDerWaalsContact C-N 3.34Å; S494-N497 PolarHBondContact O-N 2.81Å; S494-Q498 WeakPolarHBondContact O-CG 3.42Å; S494-Q498 PolarHBondContact O-N 2.96Å |
| 495 | E | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 106.1 Ų | 106.1 | 38% | 0.379 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -51.3 | 174 | -72.7 | 157.7 | 178.2 | 0 | 0 | 110.3 | Q491 R492 N497 Q498 D499 | Q491-E495 VanDerWaalsContact CG-OE1 3.29Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.16Å; Q491-E495 PolarHBondContact NE2-OE1 3.03Å; Q491-E495 VanDerWaalsContact O-CG 3.3Å; Q491-E495 WeakPolarHBondContact O-CG 3.41Å; Q491-E495 PolarHBondContact O-N 3.27Å; R492-E495 WeakPolarHBondContact CA-OE2 3.28Å; E495-N497 PolarHBondContact O-N 3.2Å; E495-Q498 WeakPolarHBondContact O-CB 3.34Å; E495-Q498 PolarHBondContact O-N 3.2Å; E495-Q498 VanDerWaalsContact O-N 3.07Å; E495-D499 PolarHBondContact O-N 2.86Å |
| 496 | Q | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 107.3 Ų | 107.3 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -28.1 | 177.1 | -156.4 | -158.5 | 27 | 0 | 0 | 112.6 | R492 E493 K500 | R492-Q496 VanDerWaalsContact O-CB 3.31Å; R492-Q496 WeakPolarHBondContact O-CB 3.31Å; R492-Q496 PolarHBondContact O-N 3.46Å; E493-Q496 PolarHBondContact O-N 2.92Å; Q496-K500 WeakPolarHBondContact O-CD 3.35Å; Q496-K500 WeakPolarHBondContact O-CG 3.34Å; Q496-K500 PolarHBondContact O-N 2.93Å |
| 497 | N | 98.1 | Very high | 98 | Very high | 97 Ų | 97 | 107.8 Ų | 107.8 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.7 | -31.2 | 175.7 | -152.1 | 61.1 | 0 | 0 | 0 | 112.6 | E493 S494 E495 Q501 | E493-N497 VanDerWaalsContact O-CB 3.28Å; E493-N497 WeakPolarHBondContact O-CB 3.46Å; E493-N497 PolarHBondContact O-N 3.07Å; S494-N497 PolarHBondContact O-N 2.81Å; E495-N497 PolarHBondContact O-N 3.2Å; N497-Q501 WeakPolarHBondContact O-CB 3.38Å; N497-Q501 PolarHBondContact O-N 3.25Å |
| 498 | Q | 98.2 | Very high | 97.8 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 168.7 | -71.9 | 170.7 | 0.8 | 0 | 0 | 111.1 | S494 E495 K500 Q501 Q502 | S494-Q498 WeakPolarHBondContact O-CG 3.42Å; S494-Q498 PolarHBondContact O-N 2.96Å; E495-Q498 WeakPolarHBondContact O-CB 3.34Å; E495-Q498 PolarHBondContact O-N 3.2Å; E495-Q498 VanDerWaalsContact O-N 3.07Å; Q498-K500 PolarHBondContact O-N 2.88Å; Q498-Q501 PolarHBondContact O-N 2.98Å; Q498-Q502 WeakPolarHBondContact O-CG 3.44Å; Q498-Q502 PolarHBondContact O-N 3.06Å |
| 499 | D | 98.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 173.4 | -69.1 | -13.3 | 0 | 0 | 0 | 112 | E495 Q501 R503 | E495-D499 PolarHBondContact O-N 2.86Å; D499-Q501 VanDerWaalsContact C-N 3.35Å; D499-R503 VanDerWaalsContact O-CB 3.27Å; D499-R503 WeakPolarHBondContact O-CB 3.47Å; D499-R503 PolarHBondContact O-N 2.93Å |
| 500 | K | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 106.9 Ų | 106.9 | 35% | 0.348 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 173.5 | -72.3 | 162.7 | -157.4 | 156.8 | 0 | 111.1 | E493 Q496 Q498 R503 I504 | E493-K500 IonicContact OE1-NZ 2.68Å; Q496-K500 WeakPolarHBondContact O-CD 3.35Å; Q496-K500 WeakPolarHBondContact O-CG 3.34Å; Q496-K500 PolarHBondContact O-N 2.93Å; Q498-K500 PolarHBondContact O-N 2.88Å; K500-R503 WeakPolarHBondContact O-CB 3.27Å; K500-R503 PolarHBondContact O-N 2.77Å; K500-I504 WeakPolarHBondContact O-CG1 3.44Å; K500-I504 PolarHBondContact O-N 2.78Å |
| 501 | Q | 98.2 | Very high | 97.3 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 179.7 | -179.4 | 56.6 | 34.4 | 0 | 0 | 111.9 | N497 Q498 D499 R503 I504 E505 | N497-Q501 WeakPolarHBondContact O-CB 3.38Å; N497-Q501 PolarHBondContact O-N 3.25Å; Q498-Q501 PolarHBondContact O-N 2.98Å; D499-Q501 VanDerWaalsContact C-N 3.35Å; Q501-R503 VanDerWaalsContact C-N 3.27Å; Q501-R503 PolarHBondContact O-N 3.48Å; Q501-I504 WeakPolarHBondContact O-CA 3.43Å; Q501-I504 WeakPolarHBondContact O-CB 3.44Å; Q501-I504 PolarHBondContact O-N 3.41Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.3Å; Q501-E505 PolarHBondContact NE2-OE1 3.45Å; Q501-E505 WeakPolarHBondContact O-CG 3.29Å; Q501-E505 PolarHBondContact O-N 3.34Å |
| 502 | Q | 98.1 | Very high | 96.8 | Very high | 106 Ų | 106 | 104.2 Ų | 104.2 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 173.3 | -69.4 | 172.7 | 29.4 | 0 | 0 | 111.7 | Q498 I504 E505 I506 | Q498-Q502 WeakPolarHBondContact O-CG 3.44Å; Q498-Q502 PolarHBondContact O-N 3.06Å; Q502-I504 VanDerWaalsContact C-N 3.3Å; Q502-I504 PolarHBondContact O-N 2.91Å; Q502-E505 PolarHBondContact O-N 2.98Å; Q502-I506 WeakPolarHBondContact O-CB 3.25Å; Q502-I506 WeakPolarHBondContact O-CD1 3.23Å; Q502-I506 VanDerWaalsContact O-CG1 3.23Å; Q502-I506 WeakPolarHBondContact O-CG1 3.42Å; Q502-I506 PolarHBondContact O-N 3.31Å |
| 503 | R | 98.3 | Very high | 96.4 | Very high | 169 Ų | 169 | 102.1 Ų | 102.1 | 64% | 0.638 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | 175.4 | -176.9 | 61.4 | 176.9 | -83.8 | 1.1 | 112.3 | D499 K500 Q501 L507 | D499-R503 VanDerWaalsContact O-CB 3.27Å; D499-R503 WeakPolarHBondContact O-CB 3.47Å; D499-R503 PolarHBondContact O-N 2.93Å; K500-R503 WeakPolarHBondContact O-CB 3.27Å; K500-R503 PolarHBondContact O-N 2.77Å; Q501-R503 VanDerWaalsContact C-N 3.27Å; Q501-R503 PolarHBondContact O-N 3.48Å; R503-L507 HydrophobicContact CG-CD1 4.4Å; R503-L507 WeakPolarHBondContact O-CD1 3.4Å; R503-L507 VanDerWaalsContact O-CG 3.23Å; R503-L507 WeakPolarHBondContact O-CG 3.23Å; R503-L507 PolarHBondContact O-N 2.95Å |
| 504 | I | 97.5 | Very high | 95.9 | Very high | 76 Ų | 76 | 101.8 Ų | 101.8 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -52 | 173.4 | -69.8 | 162.5 | 0 | 0 | 0 | 109.9 | K500 Q501 Q502 I506 L507 E508 | K500-I504 WeakPolarHBondContact O-CG1 3.44Å; K500-I504 PolarHBondContact O-N 2.78Å; Q501-I504 WeakPolarHBondContact O-CA 3.43Å; Q501-I504 WeakPolarHBondContact O-CB 3.44Å; Q501-I504 PolarHBondContact O-N 3.41Å; Q502-I504 VanDerWaalsContact C-N 3.3Å; Q502-I504 PolarHBondContact O-N 2.91Å; I504-I506 VanDerWaalsContact C-N 3.28Å; I504-I506 PolarHBondContact O-N 2.93Å; I504-L507 CarbonylContact O-C 3.59Å; I504-L507 WeakPolarHBondContact O-CA 3.5Å; I504-L507 WeakPolarHBondContact O-CB 3.44Å; I504-L507 PolarHBondContact O-N 3.24Å; I504-E508 HydrophobicContact CG2-CG 4.07Å; I504-E508 WeakPolarHBondContact O-CG 3.48Å; I504-E508 PolarHBondContact O-N 2.88Å |
| 505 | E | 97.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 104 Ų | 104 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57 | -39.1 | 180 | -71.2 | 164.8 | -167.2 | 0 | 0 | 112.8 | Q501 Q502 K509 | Q501-E505 WeakPolarHBondContact CG-OE1 3.3Å; Q501-E505 PolarHBondContact NE2-OE1 3.45Å; Q501-E505 WeakPolarHBondContact O-CG 3.29Å; Q501-E505 PolarHBondContact O-N 3.34Å; Q502-E505 PolarHBondContact O-N 2.98Å; E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 2.81Å |
| 506 | I | 97.6 | Very high | 94.7 | Very high | 89 Ų | 89 | 103.9 Ų | 103.9 | 46% | 0.456 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 174 | -70.9 | 166.5 | 0 | 0 | 0 | 111.4 | Q502 I504 Y510 | Q502-I506 WeakPolarHBondContact O-CB 3.25Å; Q502-I506 WeakPolarHBondContact O-CD1 3.23Å; Q502-I506 VanDerWaalsContact O-CG1 3.23Å; Q502-I506 WeakPolarHBondContact O-CG1 3.42Å; Q502-I506 PolarHBondContact O-N 3.31Å; I504-I506 VanDerWaalsContact C-N 3.28Å; I504-I506 PolarHBondContact O-N 2.93Å; I506-Y510 HydrophobicContact CG2-CD2 3.85Å; I506-Y510 HydrophobicContact CG2-CE2 3.45Å; I506-Y510 VanDerWaalsContact CG2-CE2 3.45Å; I506-Y510 WeakPolarHBondContact O-CD2 3.1Å; I506-Y510 PolarHBondContact O-N 3.35Å; I506-Y510 VanDerWaalsContact O-N 3.09Å |
| 507 | L | 96.9 | Very high | 93.9 | Very high | 85 Ų | 85 | 106.1 Ų | 106.1 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | 176.4 | -73.9 | 168.9 | 0 | 0 | 0 | 112 | R503 I504 K509 Y510 L511 | R503-L507 HydrophobicContact CG-CD1 4.4Å; R503-L507 WeakPolarHBondContact O-CD1 3.4Å; R503-L507 VanDerWaalsContact O-CG 3.23Å; R503-L507 WeakPolarHBondContact O-CG 3.23Å; R503-L507 PolarHBondContact O-N 2.95Å; I504-L507 CarbonylContact O-C 3.59Å; I504-L507 WeakPolarHBondContact O-CA 3.5Å; I504-L507 WeakPolarHBondContact O-CB 3.44Å; I504-L507 PolarHBondContact O-N 3.24Å; L507-K509 VanDerWaalsContact C-N 3.31Å; L507-K509 PolarHBondContact O-N 3.23Å; L507-Y510 PolarHBondContact O-N 3.43Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 VanDerWaalsContact O-CG 3.25Å; L507-L511 WeakPolarHBondContact O-CG 3.35Å; L507-L511 PolarHBondContact O-N 2.83Å |
| 508 | E | 94.4 | Very high | 93.3 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 173.8 | -72.1 | 177.7 | 155.1 | 0 | 0 | 110.8 | I504 L511 S512 | I504-E508 HydrophobicContact CG2-CG 4.07Å; I504-E508 WeakPolarHBondContact O-CG 3.48Å; I504-E508 PolarHBondContact O-N 2.88Å; E508-L511 PolarHBondContact O-N 3.06Å; E508-S512 PolarHBondContact O-N 2.78Å; E508-S512 PolarHBondContact O-OG 2.98Å |
| 509 | K | 96.4 | Very high | 92.8 | Very high | 129 Ų | 129 | 105.7 Ų | 105.7 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.9 | -52.4 | 172.7 | -173.4 | -177 | 174.7 | -175.5 | 0 | 111.7 | E505 L507 L511 S512 D513 | E505-K509 WeakPolarHBondContact O-CB 3.27Å; E505-K509 PolarHBondContact O-N 2.81Å; L507-K509 VanDerWaalsContact C-N 3.31Å; L507-K509 PolarHBondContact O-N 3.23Å; K509-L511 PolarHBondContact O-N 2.72Å; K509-S512 WeakPolarHBondContact CA-OG 3.38Å; K509-S512 PolarHBondContact O-N 3.37Å; K509-S512 PolarHBondContact O-OG 2.99Å; K509-D513 PolarHBondContact O-N 2.92Å |
| 510 | Y | 96 | Very high | 92.3 | Very high | 149 Ų | 149 | 103.9 Ų | 103.9 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -31.6 | 177.8 | -72.4 | -51.8 | 0 | 0 | 0 | 113 | I506 L507 L514 | I506-Y510 HydrophobicContact CG2-CD2 3.85Å; I506-Y510 HydrophobicContact CG2-CE2 3.45Å; I506-Y510 VanDerWaalsContact CG2-CE2 3.45Å; I506-Y510 WeakPolarHBondContact O-CD2 3.1Å; I506-Y510 PolarHBondContact O-N 3.35Å; I506-Y510 VanDerWaalsContact O-N 3.09Å; L507-Y510 PolarHBondContact O-N 3.43Å; Y510-L514 WeakPolarHBondContact O-CG 3.17Å; Y510-L514 PolarHBondContact O-N 2.96Å |
| 511 | L | 91.9 | Very high | 91.7 | Very high | 121 Ų | 121 | 104.7 Ų | 104.7 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.2 | -31.3 | 173.9 | -71.6 | 168.2 | 0 | 0 | 0 | 112.5 | L507 E508 K509 L514 | L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 VanDerWaalsContact O-CG 3.25Å; L507-L511 WeakPolarHBondContact O-CG 3.35Å; L507-L511 PolarHBondContact O-N 2.83Å; E508-L511 PolarHBondContact O-N 3.06Å; K509-L511 PolarHBondContact O-N 2.72Å; L511-L514 HydrophobicContact CD2-CD1 4.47Å |
| 512 | S | 87.8 | Confident | 91.2 | Very high | 91 Ų | 91 | 104.2 Ų | 104.2 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -78.3 | -24.5 | 173.4 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | E508 K509 L514 | E508-S512 PolarHBondContact O-N 2.78Å; E508-S512 PolarHBondContact O-OG 2.98Å; K509-S512 WeakPolarHBondContact CA-OG 3.38Å; K509-S512 PolarHBondContact O-N 3.37Å; K509-S512 PolarHBondContact O-OG 2.99Å; S512-L514 VanDerWaalsContact C-N 3.3Å |
| 513 | D | 89.8 | Confident | 90.6 | Very high | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -79.5 | -11.2 | 174.3 | -69.7 | -29 | 0 | 0 | 0 | 112.3 | K509 | K509-D513 PolarHBondContact O-N 2.92Š|
| 514 | L | 87.6 | Confident | 90.1 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -87.9 | 133.5 | 176.7 | -76.2 | 170 | 0 | 0 | 0 | 111.5 | Y510 L511 S512 T516 | Y510-L514 WeakPolarHBondContact O-CG 3.17Å; Y510-L514 PolarHBondContact O-N 2.96Å; L511-L514 HydrophobicContact CD2-CD1 4.47Å; S512-L514 VanDerWaalsContact C-N 3.3Å; L514-T516 PolarHBondContact O-N 3.01Å |
| 515 | P | 83.6 | Confident | 89.6 | Confident | 82 Ų | 82 | 102 Ų | 102 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 129.7 | 177.8 | 28.4 | -34.8 | 0 | 0 | 0 | 110.8 | V520 | P515-V520 HydrophobicContact CB-CG2 3.91Å; P515-V520 HydrophobicContact CG-CG2 4.05Å |
| 516 | T | 85.4 | Confident | 89.3 | Confident | 80 Ų | 80 | 101.8 Ų | 101.8 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 144.5 | -176.9 | -47.5 | 0 | 0 | 0 | 0 | 110.2 | L514 N518 E519 V520 | L514-T516 PolarHBondContact O-N 3.01Å; T516-N518 HydrophobicContact CG2-CB 4.35Å; T516-N518 PolarHBondContact O-N 3.26Å; T516-E519 WeakPolarHBondContact CA-OE2 3.31Å; T516-E519 WeakPolarHBondContact CB-OE2 3.41Å; T516-E519 PolarHBondContact N-OE2 2.85Å; T516-E519 WeakPolarHBondContact O-CA 3.25Å; T516-E519 WeakPolarHBondContact O-CB 3.38Å; T516-E519 PolarHBondContact O-N 3.25Å; T516-E519 PolarHBondContact OG1-OE2 3.43Å; T516-V520 PolarHBondContact O-N 3.25Å |
| 517 | L | 82.7 | Confident | 89.1 | Confident | 146 Ų | 146 | 103.9 Ų | 103.9 | 76% | 0.764 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -52.5 | -34.8 | 176.5 | 179.8 | 61.7 | 0 | 0 | 0 | 113.1 | Q521 | L517-Q521 VanDerWaalsContact O-CB 3.27Å; L517-Q521 WeakPolarHBondContact O-CB 3.43Å; L517-Q521 PolarHBondContact O-N 2.91Å |
| 518 | N | 85.9 | Confident | 89 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 173.7 | -176.5 | 61.2 | 0 | 0 | 0 | 112.5 | T516 Q521 V522 | T516-N518 HydrophobicContact CG2-CB 4.35Å; T516-N518 PolarHBondContact O-N 3.26Å; N518-Q521 PolarHBondContact O-N 2.74Å; N518-V522 WeakPolarHBondContact O-CB 3.47Å; N518-V522 VanDerWaalsContact O-CG2 3.25Å; N518-V522 WeakPolarHBondContact O-CG2 3.49Å; N518-V522 PolarHBondContact O-N 3.41Å |
| 519 | E | 87.3 | Confident | 88.9 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 178.8 | -65 | 168.1 | 140.5 | 0 | 0 | 110.7 | T516 Q521 V522 Q523 | T516-E519 WeakPolarHBondContact CA-OE2 3.31Å; T516-E519 WeakPolarHBondContact CB-OE2 3.41Å; T516-E519 PolarHBondContact N-OE2 2.85Å; T516-E519 WeakPolarHBondContact O-CA 3.25Å; T516-E519 WeakPolarHBondContact O-CB 3.38Å; T516-E519 PolarHBondContact O-N 3.25Å; T516-E519 PolarHBondContact OG1-OE2 3.43Å; E519-Q521 VanDerWaalsContact C-N 3.31Å; E519-Q521 PolarHBondContact O-N 3.46Å; E519-V522 PolarHBondContact O-N 3.2Å; E519-Q523 WeakPolarHBondContact O-CB 3.19Å; E519-Q523 VanDerWaalsContact O-CG 3.31Å; E519-Q523 WeakPolarHBondContact O-CG 3.36Å; E519-Q523 PolarHBondContact O-N 2.92Å |
| 520 | V | 86.6 | Confident | 88.8 | Confident | 65 Ų | 65 | 104.9 Ų | 104.9 | 39% | 0.394 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | P515 T516 S524 | P515-V520 HydrophobicContact CB-CG2 3.91Å; P515-V520 HydrophobicContact CG-CG2 4.05Å; T516-V520 PolarHBondContact O-N 3.25Å; V520-S524 WeakPolarHBondContact O-CB 3.39Å; V520-S524 PolarHBondContact O-N 3.09Å |
| 521 | Q | 85.6 | Confident | 88.8 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 177.1 | -163.6 | -171.4 | 84.5 | 0 | 0 | 112.3 | L517 N518 E519 K525 | L517-Q521 VanDerWaalsContact O-CB 3.27Å; L517-Q521 WeakPolarHBondContact O-CB 3.43Å; L517-Q521 PolarHBondContact O-N 2.91Å; N518-Q521 PolarHBondContact O-N 2.74Å; E519-Q521 VanDerWaalsContact C-N 3.31Å; E519-Q521 PolarHBondContact O-N 3.46Å; Q521-K525 HydrophobicContact CG-CD 4.27Å; Q521-K525 VanDerWaalsContact O-CB 3.31Å; Q521-K525 WeakPolarHBondContact O-CB 3.06Å; Q521-K525 WeakPolarHBondContact O-CD 3.39Å; Q521-K525 WeakPolarHBondContact O-CG 3.29Å; Q521-K525 PolarHBondContact O-N 2.98Å |
| 522 | V | 88.6 | Confident | 89 | Confident | 76 Ų | 76 | 102 Ų | 102 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | 174 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | N518 E519 K525 Q526 | N518-V522 WeakPolarHBondContact O-CB 3.47Å; N518-V522 VanDerWaalsContact O-CG2 3.25Å; N518-V522 WeakPolarHBondContact O-CG2 3.49Å; N518-V522 PolarHBondContact O-N 3.41Å; E519-V522 PolarHBondContact O-N 3.2Å; V522-K525 PolarHBondContact O-N 3.05Å; V522-Q526 VanDerWaalsContact O-CB 3.24Å; V522-Q526 WeakPolarHBondContact O-CB 3.47Å; V522-Q526 PolarHBondContact O-N 2.81Å |
| 523 | Q | 85.8 | Confident | 89.4 | Confident | 124 Ų | 124 | 101.7 Ų | 101.7 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.1 | -50 | 174.5 | -74.9 | 172.8 | -7 | 0 | 0 | 111.3 | E519 K525 Q526 E527 | E519-Q523 WeakPolarHBondContact O-CB 3.19Å; E519-Q523 VanDerWaalsContact O-CG 3.31Å; E519-Q523 WeakPolarHBondContact O-CG 3.36Å; E519-Q523 PolarHBondContact O-N 2.92Å; Q523-K525 VanDerWaalsContact C-N 3.32Å; Q523-K525 PolarHBondContact O-N 3.37Å; Q523-Q526 PolarHBondContact O-N 2.8Å; Q523-Q526 VanDerWaalsContact O-N 3.12Å; Q523-E527 WeakPolarHBondContact O-CB 3.35Å; Q523-E527 PolarHBondContact O-N 3.12Å |
| 524 | S | 86.9 | Confident | 89.7 | Confident | 67 Ų | 67 | 102.6 Ų | 102.6 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | V520 K528 | V520-S524 WeakPolarHBondContact O-CB 3.39Å; V520-S524 PolarHBondContact O-N 3.09Å; S524-K528 WeakPolarHBondContact O-CB 3.31Å; S524-K528 PolarHBondContact O-N 2.8Å |
| 525 | K | 88.4 | Confident | 90.2 | Very high | 114 Ų | 114 | 102.3 Ų | 102.3 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 171.5 | -77.5 | 165.8 | 175.4 | 170.8 | 0 | 111.7 | Q521 V522 Q523 L529 | Q521-K525 HydrophobicContact CG-CD 4.27Å; Q521-K525 VanDerWaalsContact O-CB 3.31Å; Q521-K525 WeakPolarHBondContact O-CB 3.06Å; Q521-K525 WeakPolarHBondContact O-CD 3.39Å; Q521-K525 WeakPolarHBondContact O-CG 3.29Å; Q521-K525 PolarHBondContact O-N 2.98Å; V522-K525 PolarHBondContact O-N 3.05Å; Q523-K525 VanDerWaalsContact C-N 3.32Å; Q523-K525 PolarHBondContact O-N 3.37Å; K525-L529 VanDerWaalsContact O-CG 3.29Å; K525-L529 WeakPolarHBondContact O-CG 3.27Å; K525-L529 PolarHBondContact O-N 3.26Å |
| 526 | Q | 90.6 | Very high | 90.9 | Very high | 93 Ų | 93 | 103.5 Ų | 103.5 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -51.2 | -179.5 | -180 | 62.6 | 18.5 | 0 | 0 | 111.2 | V522 Q523 K528 L529 E530 | V522-Q526 VanDerWaalsContact O-CB 3.24Å; V522-Q526 WeakPolarHBondContact O-CB 3.47Å; V522-Q526 PolarHBondContact O-N 2.81Å; Q523-Q526 PolarHBondContact O-N 2.8Å; Q523-Q526 VanDerWaalsContact O-N 3.12Å; Q526-K528 VanDerWaalsContact C-N 3.25Å; Q526-K528 PolarHBondContact O-N 2.9Å; Q526-L529 CarbonylContact O-C 3.49Å; Q526-L529 WeakPolarHBondContact O-CA 3.39Å; Q526-L529 WeakPolarHBondContact O-CB 3.32Å; Q526-L529 PolarHBondContact O-N 3.34Å; Q526-E530 WeakPolarHBondContact CG-OE1 3.39Å; Q526-E530 PolarHBondContact NE2-OE1 2.74Å; Q526-E530 WeakPolarHBondContact O-CG 3.36Å; Q526-E530 PolarHBondContact O-N 3.21Å |
| 527 | E | 92.5 | Very high | 91.5 | Very high | 134 Ų | 134 | 105.1 Ų | 105.1 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.6 | -42.1 | 174.5 | -178.1 | -178.4 | -151.4 | 0 | 0 | 111.3 | Q523 L529 E530 E531 | Q523-E527 WeakPolarHBondContact O-CB 3.35Å; Q523-E527 PolarHBondContact O-N 3.12Å; E527-L529 VanDerWaalsContact C-N 3.29Å; E527-L529 PolarHBondContact O-N 2.82Å; E527-E530 PolarHBondContact O-N 3.26Å; E527-E531 WeakPolarHBondContact O-CB 3.24Å; E527-E531 PolarHBondContact O-N 2.84Å |
| 528 | K | 94.8 | Very high | 92.2 | Very high | 138 Ų | 138 | 102.4 Ų | 102.4 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.4 | -17.4 | 176 | -168.4 | 166.6 | -170 | 165.1 | 0 | 114.2 | S524 Q526 K532 | S524-K528 WeakPolarHBondContact O-CB 3.31Å; S524-K528 PolarHBondContact O-N 2.8Å; Q526-K528 VanDerWaalsContact C-N 3.25Å; Q526-K528 PolarHBondContact O-N 2.9Å; K528-K532 WeakPolarHBondContact O-CD 3.44Å; K528-K532 VanDerWaalsContact O-CG 3.27Å; K528-K532 WeakPolarHBondContact O-CG 3.4Å |
| 529 | L | 93.6 | Very high | 92.8 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -85.7 | -39.6 | 169.1 | -74.8 | 167 | 0 | 0 | 0 | 110.9 | K525 Q526 E527 K532 N533 | K525-L529 VanDerWaalsContact O-CG 3.29Å; K525-L529 WeakPolarHBondContact O-CG 3.27Å; K525-L529 PolarHBondContact O-N 3.26Å; Q526-L529 CarbonylContact O-C 3.49Å; Q526-L529 WeakPolarHBondContact O-CA 3.39Å; Q526-L529 WeakPolarHBondContact O-CB 3.32Å; Q526-L529 PolarHBondContact O-N 3.34Å; E527-L529 VanDerWaalsContact C-N 3.29Å; E527-L529 PolarHBondContact O-N 2.82Å; L529-K532 WeakPolarHBondContact O-CB 3.43Å; L529-K532 PolarHBondContact O-N 3.4Å; L529-N533 WeakPolarHBondContact O-CB 3.46Å; L529-N533 PolarHBondContact O-N 2.71Å |
| 530 | E | 94 | Very high | 93.3 | Very high | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.9 | -72.2 | 173.3 | -174.7 | 0 | 0 | 111.9 | Q526 E527 K532 N533 R534 | Q526-E530 WeakPolarHBondContact CG-OE1 3.39Å; Q526-E530 PolarHBondContact NE2-OE1 2.74Å; Q526-E530 WeakPolarHBondContact O-CG 3.36Å; Q526-E530 PolarHBondContact O-N 3.21Å; E527-E530 PolarHBondContact O-N 3.26Å; E530-K532 VanDerWaalsContact C-N 3.34Å; E530-K532 PolarHBondContact O-N 2.9Å; E530-N533 PolarHBondContact O-N 2.73Å; E530-R534 WeakPolarHBondContact O-CB 3.46Å; E530-R534 PolarHBondContact O-N 3.46Å |
| 531 | E | 94.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 104.1 Ų | 104.1 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 171.6 | 169.5 | 156.9 | -94.1 | 0 | 0 | 112.2 | E527 N533 R534 L535 | E527-E531 WeakPolarHBondContact O-CB 3.24Å; E527-E531 PolarHBondContact O-N 2.84Å; E531-N533 VanDerWaalsContact C-N 3.35Å; E531-R534 PolarHBondContact O-N 3.32Å; E531-R534 IonicContact OE1-CZ 2.7Å; E531-R534 IonicContact OE1-NH1 3.53Å; E531-R534 IonicContact OE1-NH2 3.49Å; E531-R534 PolarHBondContact OE1-NH2 2.8Å; E531-L535 HydrophobicContact CG-CD1 4.08Å; E531-L535 WeakPolarHBondContact O-CB 3.45Å; E531-L535 WeakPolarHBondContact O-CG 3.48Å; E531-L535 PolarHBondContact O-N 2.97Å |
| 532 | K | 96.1 | Very high | 94.5 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 174.1 | -77.9 | 175.8 | 178.8 | -176.4 | 0 | 111.9 | K528 L529 E530 L535 L536 | K528-K532 WeakPolarHBondContact O-CD 3.44Å; K528-K532 VanDerWaalsContact O-CG 3.27Å; K528-K532 WeakPolarHBondContact O-CG 3.4Å; L529-K532 WeakPolarHBondContact O-CB 3.43Å; L529-K532 PolarHBondContact O-N 3.4Å; E530-K532 VanDerWaalsContact C-N 3.34Å; E530-K532 PolarHBondContact O-N 2.9Å; K532-L535 PolarHBondContact O-N 3.27Å; K532-L536 WeakPolarHBondContact O-CG 3.41Å; K532-L536 PolarHBondContact O-N 2.74Å |
| 533 | N | 96.4 | Very high | 94.9 | Very high | 83 Ų | 83 | 106.8 Ų | 106.8 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 177.1 | -168.2 | 61.1 | 0 | 0 | 0 | 110.6 | L529 E530 E531 L535 L536 E537 | L529-N533 WeakPolarHBondContact O-CB 3.46Å; L529-N533 PolarHBondContact O-N 2.71Å; E530-N533 PolarHBondContact O-N 2.73Å; E531-N533 VanDerWaalsContact C-N 3.35Å; N533-L535 VanDerWaalsContact C-N 3.29Å; N533-L535 PolarHBondContact O-N 3.32Å; N533-L536 CarbonylContact O-C 3.59Å; N533-L536 PolarHBondContact O-N 3.07Å; N533-E537 VanDerWaalsContact ND2-CD 3.34Å; N533-E537 PolarHBondContact ND2-OE1 3.5Å; N533-E537 WeakPolarHBondContact O-CB 3.38Å; N533-E537 WeakPolarHBondContact O-CG 3.32Å; N533-E537 PolarHBondContact O-N 2.82Å |
| 534 | R | 97 | Very high | 95.5 | Very high | 126 Ų | 126 | 105.4 Ų | 105.4 | 48% | 0.475 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.8 | -39 | 172.3 | -171.3 | -174.8 | 74.2 | -137 | -1.4 | 112.3 | E530 E531 N538 | E530-R534 WeakPolarHBondContact O-CB 3.46Å; E530-R534 PolarHBondContact O-N 3.46Å; E531-R534 PolarHBondContact O-N 3.32Å; E531-R534 IonicContact OE1-CZ 2.7Å; E531-R534 IonicContact OE1-NH1 3.53Å; E531-R534 IonicContact OE1-NH2 3.49Å; E531-R534 PolarHBondContact OE1-NH2 2.8Å; R534-N538 WeakPolarHBondContact O-CB 3.39Å; R534-N538 VanDerWaalsContact O-CG 3.31Å; R534-N538 PolarHBondContact O-N 3.07Å; R534-N538 PolarHBondContact O-ND2 3.38Å |
| 535 | L | 97.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 106.7 Ų | 106.7 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 173.5 | -82.3 | 163.1 | 0 | 0 | 0 | 111.8 | E531 K532 N533 N538 T539 | E531-L535 HydrophobicContact CG-CD1 4.08Å; E531-L535 WeakPolarHBondContact O-CB 3.45Å; E531-L535 WeakPolarHBondContact O-CG 3.48Å; E531-L535 PolarHBondContact O-N 2.97Å; K532-L535 PolarHBondContact O-N 3.27Å; N533-L535 VanDerWaalsContact C-N 3.29Å; N533-L535 PolarHBondContact O-N 3.32Å; L535-N538 PolarHBondContact O-N 2.89Å; L535-T539 WeakPolarHBondContact O-CG2 3.34Å; L535-T539 PolarHBondContact O-N 2.79Å; L535-T539 PolarHBondContact O-OG1 3.48Å |
| 536 | L | 97.9 | Very high | 96.5 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 177.2 | -72.9 | 169.1 | 0 | 0 | 0 | 111.5 | K532 N533 N538 T539 V540 | K532-L536 WeakPolarHBondContact O-CG 3.41Å; K532-L536 PolarHBondContact O-N 2.74Å; N533-L536 CarbonylContact O-C 3.59Å; N533-L536 PolarHBondContact O-N 3.07Å; L536-N538 VanDerWaalsContact C-N 3.32Å; L536-N538 PolarHBondContact O-N 3.48Å; L536-T539 WeakPolarHBondContact CA-OG1 3.44Å; L536-T539 CarbonylContact O-C 3.58Å; L536-T539 PolarHBondContact O-N 3.38Å; L536-T539 PolarHBondContact O-OG1 3.03Å; L536-V540 WeakPolarHBondContact O-CG2 3.29Å; L536-V540 PolarHBondContact O-N 3.03Å |
| 537 | E | 97.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -55.1 | -45.2 | 174.3 | -73.3 | 168.9 | 172.2 | 0 | 0 | 111.6 | N533 T539 V540 F541 | N533-E537 VanDerWaalsContact ND2-CD 3.34Å; N533-E537 PolarHBondContact ND2-OE1 3.5Å; N533-E537 WeakPolarHBondContact O-CB 3.38Å; N533-E537 WeakPolarHBondContact O-CG 3.32Å; N533-E537 PolarHBondContact O-N 2.82Å; E537-T539 PolarHBondContact O-N 2.79Å; E537-V540 PolarHBondContact O-N 3.43Å; E537-F541 WeakPolarHBondContact O-CB 3.29Å; E537-F541 PolarHBondContact O-N 3.46Å |
| 538 | N | 97.7 | Very high | 97.2 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 173.6 | -80.5 | -52.1 | 0 | 0 | 0 | 112.4 | R534 L535 L536 F541 Q542 | R534-N538 WeakPolarHBondContact O-CB 3.39Å; R534-N538 VanDerWaalsContact O-CG 3.31Å; R534-N538 PolarHBondContact O-N 3.07Å; R534-N538 PolarHBondContact O-ND2 3.38Å; L535-N538 PolarHBondContact O-N 2.89Å; L536-N538 VanDerWaalsContact C-N 3.32Å; L536-N538 PolarHBondContact O-N 3.48Å; N538-F541 PolarHBondContact O-N 2.82Å; N538-Q542 VanDerWaalsContact O-CG 3.29Å; N538-Q542 WeakPolarHBondContact O-CG 3.39Å; N538-Q542 PolarHBondContact O-N 3.31Å |
| 539 | T | 98.1 | Very high | 97.3 | Very high | 73 Ų | 73 | 102.5 Ų | 102.5 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | L535 L536 E537 Q542 L543 | L535-T539 WeakPolarHBondContact O-CG2 3.34Å; L535-T539 PolarHBondContact O-N 2.79Å; L535-T539 PolarHBondContact O-OG1 3.48Å; L536-T539 WeakPolarHBondContact CA-OG1 3.44Å; L536-T539 CarbonylContact O-C 3.58Å; L536-T539 PolarHBondContact O-N 3.38Å; L536-T539 PolarHBondContact O-OG1 3.03Å; E537-T539 PolarHBondContact O-N 2.79Å; T539-Q542 PolarHBondContact O-N 2.81Å; T539-L543 WeakPolarHBondContact O-CB 3.45Å; T539-L543 VanDerWaalsContact O-CG 3.29Å; T539-L543 WeakPolarHBondContact O-CG 3.4Å; T539-L543 PolarHBondContact O-N 3.22Å |
| 540 | V | 98.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | L536 E537 L543 Q544 | L536-V540 WeakPolarHBondContact O-CG2 3.29Å; L536-V540 PolarHBondContact O-N 3.03Å; E537-V540 PolarHBondContact O-N 3.43Å; V540-L543 PolarHBondContact O-N 3.49Å; V540-Q544 VanDerWaalsContact O-CB 3.24Å; V540-Q544 WeakPolarHBondContact O-CB 3.29Å; V540-Q544 PolarHBondContact O-N 3.4Å |
| 541 | F | 98.3 | Very high | 97.8 | Very high | 135 Ų | 135 | 96.7 Ų | 96.7 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 175.8 | -179.6 | -99.4 | 0 | 0 | 0 | 112.6 | E537 N538 Q544 K545 | E537-F541 WeakPolarHBondContact O-CB 3.29Å; E537-F541 PolarHBondContact O-N 3.46Å; N538-F541 PolarHBondContact O-N 2.82Å; F541-Q544 PolarHBondContact O-N 2.86Å; F541-K545 WeakPolarHBondContact O-CB 3.5Å; F541-K545 PolarHBondContact O-N 2.9Å |
| 542 | Q | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 95.1 Ų | 95.1 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.3 | -39.8 | 176.6 | -66.4 | -70.6 | 2.1 | 0 | 0 | 112.3 | N538 T539 S546 | N538-Q542 VanDerWaalsContact O-CG 3.29Å; N538-Q542 WeakPolarHBondContact O-CG 3.39Å; N538-Q542 PolarHBondContact O-N 3.31Å; T539-Q542 PolarHBondContact O-N 2.81Å; Q542-S546 WeakPolarHBondContact O-CB 3.31Å; Q542-S546 PolarHBondContact O-N 2.93Å |
| 543 | L | 98.3 | Very high | 98 | Very high | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | 175 | -72.1 | 170.9 | 0 | 0 | 0 | 111.7 | T539 V540 K545 S546 I547 | T539-L543 WeakPolarHBondContact O-CB 3.45Å; T539-L543 VanDerWaalsContact O-CG 3.29Å; T539-L543 WeakPolarHBondContact O-CG 3.4Å; T539-L543 PolarHBondContact O-N 3.22Å; V540-L543 PolarHBondContact O-N 3.49Å; L543-K545 PolarHBondContact O-N 2.89Å; L543-S546 PolarHBondContact O-N 3.35Å; L543-I547 VanDerWaalsContact O-CG1 3.29Å; L543-I547 WeakPolarHBondContact O-CG1 3.39Å; L543-I547 PolarHBondContact O-N 2.96Å |
| 544 | Q | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 95.4 Ų | 95.4 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 175.3 | 178.6 | 61.4 | 26.7 | 0 | 0 | 110.9 | V540 F541 S546 I547 E548 | V540-Q544 VanDerWaalsContact O-CB 3.24Å; V540-Q544 WeakPolarHBondContact O-CB 3.29Å; V540-Q544 PolarHBondContact O-N 3.4Å; F541-Q544 PolarHBondContact O-N 2.86Å; Q544-S546 PolarHBondContact O-N 3.35Å; Q544-I547 WeakPolarHBondContact O-CB 3.42Å; Q544-I547 PolarHBondContact O-N 3.19Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.24Å; Q544-E548 PolarHBondContact NE2-OE1 2.75Å; Q544-E548 WeakPolarHBondContact O-CG 3.36Å; Q544-E548 PolarHBondContact O-N 2.97Å |
| 545 | K | 98.4 | Very high | 98.1 | Very high | 93 Ų | 93 | 96.2 Ų | 96.2 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.4 | 179.2 | 177.4 | 168.9 | -178.8 | 0 | 112.2 | F541 L543 I547 E548 E549 | F541-K545 WeakPolarHBondContact O-CB 3.5Å; F541-K545 PolarHBondContact O-N 2.9Å; L543-K545 PolarHBondContact O-N 2.89Å; K545-I547 VanDerWaalsContact C-N 3.32Å; K545-I547 PolarHBondContact O-N 3.44Å; K545-E548 PolarHBondContact O-N 3.27Å; K545-E549 WeakPolarHBondContact CE-OE1 3.4Å; K545-E549 IonicContact NZ-OE1 3.42Å; K545-E549 WeakPolarHBondContact O-CG 3.49Å; K545-E549 PolarHBondContact O-N 3.47Å |
| 546 | S | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 98 Ų | 98 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | Q542 L543 Q544 G550 | Q542-S546 WeakPolarHBondContact O-CB 3.31Å; Q542-S546 PolarHBondContact O-N 2.93Å; L543-S546 PolarHBondContact O-N 3.35Å; Q544-S546 PolarHBondContact O-N 3.35Å; S546-G550 PolarHBondContact O-N 3.21Å |
| 547 | I | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 98.8 Ų | 98.8 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 172.9 | -69.5 | 163.3 | 0 | 0 | 0 | 110.7 | L543 Q544 K545 G550 C551 | L543-I547 VanDerWaalsContact O-CG1 3.29Å; L543-I547 WeakPolarHBondContact O-CG1 3.39Å; L543-I547 PolarHBondContact O-N 2.96Å; Q544-I547 WeakPolarHBondContact O-CB 3.42Å; Q544-I547 PolarHBondContact O-N 3.19Å; K545-I547 VanDerWaalsContact C-N 3.32Å; K545-I547 PolarHBondContact O-N 3.44Å; I547-G550 PolarHBondContact O-N 2.93Å; I547-C551 WeakPolarHBondContact O-CB 3.42Å; I547-C551 PolarHBondContact O-N 2.89Å; I547-C551 PolarHBondContact O-SG 3.36Å |
| 548 | E | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 97.4 Ų | 97.4 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 176.7 | -74.3 | 171 | -168 | 0 | 0 | 112.3 | Q544 K545 G550 C551 A552 | Q544-E548 WeakPolarHBondContact CG-OE1 3.24Å; Q544-E548 PolarHBondContact NE2-OE1 2.75Å; Q544-E548 WeakPolarHBondContact O-CG 3.36Å; Q544-E548 PolarHBondContact O-N 2.97Å; K545-E548 PolarHBondContact O-N 3.27Å; E548-G550 VanDerWaalsContact C-N 3.35Å; E548-C551 PolarHBondContact O-N 2.96Å; E548-A552 WeakPolarHBondContact O-CB 3.5Å; E548-A552 PolarHBondContact O-N 2.86Å |
| 549 | E | 98.3 | Very high | 98.3 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 172.8 | -72.3 | 174.4 | 174.7 | 0 | 0 | 111.4 | K545 A552 L553 | K545-E549 WeakPolarHBondContact CE-OE1 3.4Å; K545-E549 IonicContact NZ-OE1 3.42Å; K545-E549 WeakPolarHBondContact O-CG 3.49Å; K545-E549 PolarHBondContact O-N 3.47Å; E549-A552 PolarHBondContact O-N 3.43Å; E549-L553 WeakPolarHBondContact O-CB 2.87Å; E549-L553 PolarHBondContact O-N 2.9Å |
| 550 | G | 98.1 | Very high | 98.2 | Very high | 29 Ų | 29 | 98.5 Ų | 98.5 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S546 I547 E548 A552 L553 I554 | S546-G550 PolarHBondContact O-N 3.21Å; I547-G550 PolarHBondContact O-N 2.93Å; E548-G550 VanDerWaalsContact C-N 3.35Å; G550-A552 VanDerWaalsContact C-N 3.34Å; G550-A552 PolarHBondContact O-N 3.28Å; G550-L553 PolarHBondContact O-N 2.8Å; G550-I554 VanDerWaalsContact O-CG1 3.31Å; G550-I554 WeakPolarHBondContact O-CG1 3.39Å; G550-I554 PolarHBondContact O-N 3.1Å |
| 551 | C | 98.2 | Very high | 98.2 | Very high | 59 Ų | 59 | 99 Ų | 99 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.6 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | I547 E548 I554 K555 | I547-C551 WeakPolarHBondContact O-CB 3.42Å; I547-C551 PolarHBondContact O-N 2.89Å; I547-C551 PolarHBondContact O-SG 3.36Å; E548-C551 PolarHBondContact O-N 2.96Å; C551-I554 PolarHBondContact O-N 3.08Å; C551-K555 VanDerWaalsContact O-CG 3.32Å; C551-K555 WeakPolarHBondContact O-CG 3.45Å; C551-K555 PolarHBondContact O-N 3.48Å |
| 552 | A | 98.1 | Very high | 98.2 | Very high | 61 Ų | 61 | 97.6 Ų | 97.6 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E548 E549 G550 K556 | E548-A552 WeakPolarHBondContact O-CB 3.5Å; E548-A552 PolarHBondContact O-N 2.86Å; E549-A552 PolarHBondContact O-N 3.43Å; G550-A552 VanDerWaalsContact C-N 3.34Å; G550-A552 PolarHBondContact O-N 3.28Å; A552-K556 PolarHBondContact O-N 3.43Å |
| 553 | L | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 174.8 | -177.9 | 63.6 | 0 | 0 | 0 | 112.2 | E549 G550 K556 K557 | E549-L553 WeakPolarHBondContact O-CB 2.87Å; E549-L553 PolarHBondContact O-N 2.9Å; G550-L553 PolarHBondContact O-N 2.8Å; L553-K556 PolarHBondContact O-N 2.85Å; L553-K557 WeakPolarHBondContact O-CG 3.46Å; L553-K557 PolarHBondContact O-N 3.14Å; L553-K557 VanDerWaalsContact O-N 3.08Å |
| 554 | I | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -55.3 | 175 | -71.2 | 164.1 | 0 | 0 | 0 | 109.8 | G550 C551 K556 K557 D558 | G550-I554 VanDerWaalsContact O-CG1 3.31Å; G550-I554 WeakPolarHBondContact O-CG1 3.39Å; G550-I554 PolarHBondContact O-N 3.1Å; C551-I554 PolarHBondContact O-N 3.08Å; I554-K556 PolarHBondContact O-N 3.38Å; I554-K556 VanDerWaalsContact O-N 3.14Å; I554-K557 CarbonylContact O-C 3.58Å; I554-K557 WeakPolarHBondContact O-CA 3.33Å; I554-K557 WeakPolarHBondContact O-CB 3.32Å; I554-K557 PolarHBondContact O-N 3.03Å; I554-D558 WeakPolarHBondContact CG2-OD2 3.46Å; I554-D558 VanDerWaalsContact O-CG 3.23Å; I554-D558 PolarHBondContact O-N 2.88Å |
| 555 | K | 98.3 | Very high | 98.1 | Very high | 143 Ų | 143 | 94.5 Ų | 94.5 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -52.8 | -39.7 | 177.1 | -72.2 | 171 | -179.1 | 178.4 | 0 | 113.1 | C551 D558 V559 | C551-K555 VanDerWaalsContact O-CG 3.32Å; C551-K555 WeakPolarHBondContact O-CG 3.45Å; C551-K555 PolarHBondContact O-N 3.48Å; K555-D558 PolarHBondContact O-N 2.76Å; K555-V559 WeakPolarHBondContact O-CG2 3.4Å; K555-V559 PolarHBondContact O-N 3.06Å; K555-V559 VanDerWaalsContact O-N 3.12Å |
| 556 | K | 98.3 | Very high | 98.1 | Very high | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.609 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 175.3 | -178.1 | 177.3 | 178.5 | 178.6 | 0 | 112.3 | A552 L553 I554 M560 | A552-K556 PolarHBondContact O-N 3.43Å; L553-K556 PolarHBondContact O-N 2.85Å; I554-K556 PolarHBondContact O-N 3.38Å; I554-K556 VanDerWaalsContact O-N 3.14Å; K556-M560 WeakPolarHBondContact O-CG 3.45Å; K556-M560 PolarHBondContact O-N 3.15Å |
| 557 | K | 98.4 | Very high | 98.1 | Very high | 124 Ų | 124 | 95.4 Ų | 95.4 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.1 | -35.9 | 176.6 | -69.5 | -175.3 | 70.4 | 179.3 | 0 | 112.1 | L553 I554 M560 I561 | L553-K557 WeakPolarHBondContact O-CG 3.46Å; L553-K557 PolarHBondContact O-N 3.14Å; L553-K557 VanDerWaalsContact O-N 3.08Å; I554-K557 CarbonylContact O-C 3.58Å; I554-K557 WeakPolarHBondContact O-CA 3.33Å; I554-K557 WeakPolarHBondContact O-CB 3.32Å; I554-K557 PolarHBondContact O-N 3.03Å; K557-M560 WeakPolarHBondContact O-CB 3.46Å; K557-M560 PolarHBondContact O-N 3.48Å; K557-M560 VanDerWaalsContact O-N 3.15Å; K557-I561 WeakPolarHBondContact O-CG1 3.42Å; K557-I561 PolarHBondContact O-N 3.19Å |
| 558 | D | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 95 Ų | 95 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.1 | -56.6 | -31.2 | 0 | 0 | 0 | 110.7 | I554 K555 M560 I561 E562 | I554-D558 WeakPolarHBondContact CG2-OD2 3.46Å; I554-D558 VanDerWaalsContact O-CG 3.23Å; I554-D558 PolarHBondContact O-N 2.88Å; K555-D558 PolarHBondContact O-N 2.76Å; D558-M560 VanDerWaalsContact C-N 3.32Å; D558-M560 PolarHBondContact O-N 2.96Å; D558-I561 PolarHBondContact O-N 3.12Å; D558-I561 VanDerWaalsContact O-N 3.15Å; D558-E562 PolarHBondContact O-N 2.92Å |
| 559 | V | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 95.2 Ų | 95.2 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | K555 E562 M563 | K555-V559 WeakPolarHBondContact O-CG2 3.4Å; K555-V559 PolarHBondContact O-N 3.06Å; K555-V559 VanDerWaalsContact O-N 3.12Å; V559-E562 PolarHBondContact O-N 3.21Å; V559-M563 HydrophobicContact CG1-CE 4.36Å; V559-M563 WeakPolarHBondContact O-CG 3.41Å; V559-M563 PolarHBondContact O-N 2.91Å |
| 560 | M | 97.9 | Very high | 98 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 173.6 | -72.6 | 178.5 | 63.7 | 0 | 0 | 112.5 | K556 K557 D558 M563 Q564 | K556-M560 WeakPolarHBondContact O-CG 3.45Å; K556-M560 PolarHBondContact O-N 3.15Å; K557-M560 WeakPolarHBondContact O-CB 3.46Å; K557-M560 PolarHBondContact O-N 3.48Å; K557-M560 VanDerWaalsContact O-N 3.15Å; D558-M560 VanDerWaalsContact C-N 3.32Å; D558-M560 PolarHBondContact O-N 2.96Å; M560-M563 HydrophobicContact CG-CE 4.22Å; M560-M563 PolarHBondContact O-N 3.15Å; M560-Q564 WeakPolarHBondContact O-CB 3.37Å; M560-Q564 PolarHBondContact O-N 3.41Å |
| 561 | I | 98.1 | Very high | 98 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.2 | -67.7 | 162.6 | 0 | 0 | 0 | 110.4 | K557 D558 Q564 A565 | K557-I561 WeakPolarHBondContact O-CG1 3.42Å; K557-I561 PolarHBondContact O-N 3.19Å; D558-I561 PolarHBondContact O-N 3.12Å; D558-I561 VanDerWaalsContact O-N 3.15Å; I561-Q564 PolarHBondContact O-N 3.46Å; I561-A565 WeakPolarHBondContact O-CB 3.35Å; I561-A565 PolarHBondContact O-N 2.86Å |
| 562 | E | 98.3 | Very high | 98 | Very high | 105 Ų | 105 | 101.8 Ų | 101.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.3 | -162.4 | -160.9 | 150.5 | 0 | 0 | 112.2 | D558 V559 K566 | D558-E562 PolarHBondContact O-N 2.92Å; V559-E562 PolarHBondContact O-N 3.21Å; E562-K566 WeakPolarHBondContact O-CG 3.42Å; E562-K566 PolarHBondContact O-N 2.87Å; E562-K566 VanDerWaalsContact OE1-CE 3.29Å; E562-K566 WeakPolarHBondContact OE1-CE 3.45Å; E562-K566 IonicContact OE1-NZ 2.68Å; E562-K566 PolarHBondContact OE1-NZ 3.2Å |
| 563 | M | 97.4 | Very high | 98 | Very high | 104 Ų | 104 | 102 Ų | 102 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 172.2 | -72.3 | -171.7 | -59 | 0 | 0 | 111.8 | V559 M560 K566 T567 | V559-M563 HydrophobicContact CG1-CE 4.36Å; V559-M563 WeakPolarHBondContact O-CG 3.41Å; V559-M563 PolarHBondContact O-N 2.91Å; M560-M563 HydrophobicContact CG-CE 4.22Å; M560-M563 PolarHBondContact O-N 3.15Å; M563-K566 PolarHBondContact O-N 2.74Å; M563-T567 PolarHBondContact O-N 3.44Å; M563-T567 VanDerWaalsContact O-N 3.12Å |
| 564 | Q | 97.3 | Very high | 98 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.4 | -176.4 | 178.1 | -30.5 | 0 | 0 | 111.2 | M560 I561 K566 T567 E568 | M560-Q564 WeakPolarHBondContact O-CB 3.37Å; M560-Q564 PolarHBondContact O-N 3.41Å; I561-Q564 PolarHBondContact O-N 3.46Å; Q564-K566 VanDerWaalsContact C-N 3.29Å; Q564-K566 PolarHBondContact O-N 3.26Å; Q564-T567 PolarHBondContact O-N 3.3Å; Q564-T567 PolarHBondContact O-OG1 3.31Å; Q564-E568 HydrophobicContact CG-CG 4.46Å; Q564-E568 WeakPolarHBondContact CG-OE1 3.32Å; Q564-E568 PolarHBondContact NE2-OE1 3.39Å; Q564-E568 PolarHBondContact O-N 2.78Å |
| 565 | A | 98 | Very high | 97.9 | Very high | 46 Ų | 46 | 97 Ų | 97 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I561 E568 D569 | I561-A565 WeakPolarHBondContact O-CB 3.35Å; I561-A565 PolarHBondContact O-N 2.86Å; A565-E568 PolarHBondContact O-N 2.99Å; A565-D569 PolarHBondContact O-N 2.61Å |
| 566 | K | 97.9 | Very high | 97.9 | Very high | 105 Ų | 105 | 95.5 Ų | 95.5 | 46% | 0.457 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.6 | -70.3 | 167 | -172.7 | 170.8 | 0 | 112.3 | E562 M563 Q564 E568 D569 E570 | E562-K566 WeakPolarHBondContact O-CG 3.42Å; E562-K566 PolarHBondContact O-N 2.87Å; E562-K566 VanDerWaalsContact OE1-CE 3.29Å; E562-K566 WeakPolarHBondContact OE1-CE 3.45Å; E562-K566 IonicContact OE1-NZ 2.68Å; E562-K566 PolarHBondContact OE1-NZ 3.2Å; M563-K566 PolarHBondContact O-N 2.74Å; Q564-K566 VanDerWaalsContact C-N 3.29Å; Q564-K566 PolarHBondContact O-N 3.26Å; K566-E568 VanDerWaalsContact C-N 3.3Å; K566-E568 PolarHBondContact O-N 2.92Å; K566-D569 PolarHBondContact O-N 3.45Å; K566-E570 WeakPolarHBondContact O-CG 3.29Å; K566-E570 PolarHBondContact O-N 2.96Å |
| 567 | T | 97.7 | Very high | 97.9 | Very high | 80 Ų | 80 | 95.7 Ų | 95.7 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.6 | -29.7 | 175.2 | 59.4 | 0 | 0 | 0 | 0 | 113 | M563 Q564 M571 | M563-T567 PolarHBondContact O-N 3.44Å; M563-T567 VanDerWaalsContact O-N 3.12Å; Q564-T567 PolarHBondContact O-N 3.3Å; Q564-T567 PolarHBondContact O-OG1 3.31Å; T567-M571 VanDerWaalsContact O-CB 3.29Å; T567-M571 WeakPolarHBondContact O-CB 3.47Å; T567-M571 PolarHBondContact O-N 2.84Å |
| 568 | E | 97.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 94.9 Ų | 94.9 | 43% | 0.425 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 172.9 | -72.8 | 177.8 | -164.4 | 0 | 0 | 111.5 | Q564 A565 K566 M571 M572 | Q564-E568 HydrophobicContact CG-CG 4.46Å; Q564-E568 WeakPolarHBondContact CG-OE1 3.32Å; Q564-E568 PolarHBondContact NE2-OE1 3.39Å; Q564-E568 PolarHBondContact O-N 2.78Å; A565-E568 PolarHBondContact O-N 2.99Å; K566-E568 VanDerWaalsContact C-N 3.3Å; K566-E568 PolarHBondContact O-N 2.92Å; E568-M571 PolarHBondContact O-N 3.31Å; E568-M572 VanDerWaalsContact O-CB 3.27Å; E568-M572 WeakPolarHBondContact O-CB 3.23Å; E568-M572 VanDerWaalsContact O-CG 3.23Å; E568-M572 WeakPolarHBondContact O-CG 3.27Å; E568-M572 PolarHBondContact O-N 3.49Å |
| 569 | D | 97.9 | Very high | 97.7 | Very high | 112 Ų | 112 | 98.7 Ų | 98.7 | 60% | 0.599 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 172.1 | -83.6 | -28.5 | 0 | 0 | 0 | 112.8 | A565 K566 M571 M572 T573 | A565-D569 PolarHBondContact O-N 2.61Å; K566-D569 PolarHBondContact O-N 3.45Å; D569-M571 VanDerWaalsContact C-N 3.33Å; D569-M571 PolarHBondContact O-N 3.3Å; D569-M572 PolarHBondContact O-N 2.84Å; D569-T573 WeakPolarHBondContact O-CB 3.29Å; D569-T573 WeakPolarHBondContact O-CG2 3.39Å; D569-T573 PolarHBondContact O-N 2.86Å; D569-T573 PolarHBondContact O-OG1 2.87Å |
| 570 | E | 97.9 | Very high | 97.6 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 173.8 | -75.1 | 176 | -169.8 | 0 | 0 | 112 | K566 T573 S574 | K566-E570 WeakPolarHBondContact O-CG 3.29Å; K566-E570 PolarHBondContact O-N 2.96Å; E570-T573 PolarHBondContact O-OG1 3.05Å; E570-T573 VanDerWaalsContact O-OG1 3.1Å; E570-S574 WeakPolarHBondContact O-CB 3.35Å; E570-S574 PolarHBondContact O-N 3.12Å; E570-S574 VanDerWaalsContact O-N 3.09Å; E570-S574 PolarHBondContact O-OG 3.39Å |
| 571 | M | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -44.8 | 173.2 | -178.8 | 168.1 | 56.2 | 0 | 0 | 111.2 | T567 E568 D569 S574 V575 | T567-M571 VanDerWaalsContact O-CB 3.29Å; T567-M571 WeakPolarHBondContact O-CB 3.47Å; T567-M571 PolarHBondContact O-N 2.84Å; E568-M571 PolarHBondContact O-N 3.31Å; D569-M571 VanDerWaalsContact C-N 3.33Å; D569-M571 PolarHBondContact O-N 3.3Å; M571-S574 CarbonylContact O-C 3.59Å; M571-S574 PolarHBondContact O-N 3.35Å; M571-V575 HydrophobicContact CG-CG2 4.37Å; M571-V575 WeakPolarHBondContact O-CB 3.43Å; M571-V575 VanDerWaalsContact O-CG2 3.29Å; M571-V575 WeakPolarHBondContact O-CG2 3.36Å; M571-V575 PolarHBondContact O-N 2.89Å |
| 572 | M | 97.8 | Very high | 97.4 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | -179.4 | -79.9 | -68.9 | -77.1 | 0 | 0 | 112.4 | E568 D569 S574 V575 Q576 | E568-M572 VanDerWaalsContact O-CB 3.27Å; E568-M572 WeakPolarHBondContact O-CB 3.23Å; E568-M572 VanDerWaalsContact O-CG 3.23Å; E568-M572 WeakPolarHBondContact O-CG 3.27Å; E568-M572 PolarHBondContact O-N 3.49Å; D569-M572 PolarHBondContact O-N 2.84Å; M572-S574 VanDerWaalsContact C-N 3.29Å; M572-S574 PolarHBondContact O-N 2.86Å; M572-V575 PolarHBondContact O-N 3.31Å; M572-Q576 WeakPolarHBondContact O-CB 3.26Å; M572-Q576 VanDerWaalsContact O-CG 3.26Å; M572-Q576 WeakPolarHBondContact O-CG 3.47Å; M572-Q576 PolarHBondContact O-N 2.85Å |
| 573 | T | 97.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 102.2 Ų | 102.2 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 172.8 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | D569 E570 Q576 R577 | D569-T573 WeakPolarHBondContact O-CB 3.29Å; D569-T573 WeakPolarHBondContact O-CG2 3.39Å; D569-T573 PolarHBondContact O-N 2.86Å; D569-T573 PolarHBondContact O-OG1 2.87Å; E570-T573 PolarHBondContact O-OG1 3.05Å; E570-T573 VanDerWaalsContact O-OG1 3.1Å; T573-Q576 PolarHBondContact O-N 2.74Å; T573-R577 VanDerWaalsContact O-CB 3.29Å; T573-R577 WeakPolarHBondContact O-CB 3.43Å; T573-R577 PolarHBondContact O-N 2.93Å |
| 574 | S | 97.8 | Very high | 97 | Very high | 50 Ų | 50 | 102.1 Ų | 102.1 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 174.5 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | E570 M571 M572 R577 L578 | E570-S574 WeakPolarHBondContact O-CB 3.35Å; E570-S574 PolarHBondContact O-N 3.12Å; E570-S574 VanDerWaalsContact O-N 3.09Å; E570-S574 PolarHBondContact O-OG 3.39Å; M571-S574 CarbonylContact O-C 3.59Å; M571-S574 PolarHBondContact O-N 3.35Å; M572-S574 VanDerWaalsContact C-N 3.29Å; M572-S574 PolarHBondContact O-N 2.86Å; S574-R577 PolarHBondContact O-N 3.12Å; S574-R577 PolarHBondContact OG-NH1 2.79Å; S574-L578 WeakPolarHBondContact O-CB 3.42Å; S574-L578 PolarHBondContact O-N 3.37Å |
| 575 | V | 98 | Very high | 96.8 | Very high | 49 Ų | 49 | 101.2 Ų | 101.2 | 30% | 0.297 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 172 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | M571 M572 L578 R579 | M571-V575 HydrophobicContact CG-CG2 4.37Å; M571-V575 WeakPolarHBondContact O-CB 3.43Å; M571-V575 VanDerWaalsContact O-CG2 3.29Å; M571-V575 WeakPolarHBondContact O-CG2 3.36Å; M571-V575 PolarHBondContact O-N 2.89Å; M572-V575 PolarHBondContact O-N 3.31Å; V575-L578 PolarHBondContact O-N 3.4Å; V575-R579 WeakPolarHBondContact O-CB 3.29Å; V575-R579 VanDerWaalsContact O-CG 3.32Å; V575-R579 WeakPolarHBondContact O-CG 3.22Å; V575-R579 PolarHBondContact O-N 2.78Å |
| 576 | Q | 97.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 172.1 | -72.2 | 170.5 | 9 | 0 | 0 | 111.5 | M572 T573 L578 R579 K580 | M572-Q576 WeakPolarHBondContact O-CB 3.26Å; M572-Q576 VanDerWaalsContact O-CG 3.26Å; M572-Q576 WeakPolarHBondContact O-CG 3.47Å; M572-Q576 PolarHBondContact O-N 2.85Å; T573-Q576 PolarHBondContact O-N 2.74Å; Q576-L578 VanDerWaalsContact C-N 3.32Å; Q576-L578 PolarHBondContact O-N 3.2Å; Q576-R579 PolarHBondContact O-N 3.48Å; Q576-K580 PolarHBondContact O-N 2.97Å |
| 577 | R | 97.6 | Very high | 96 | Very high | 143 Ų | 143 | 102.9 Ų | 102.9 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 175 | -167.7 | -169.9 | -57.1 | 116.8 | 4.7 | 111.5 | T573 S574 K581 | T573-R577 VanDerWaalsContact O-CB 3.29Å; T573-R577 WeakPolarHBondContact O-CB 3.43Å; T573-R577 PolarHBondContact O-N 2.93Å; S574-R577 PolarHBondContact O-N 3.12Å; S574-R577 PolarHBondContact OG-NH1 2.79Å; R577-K581 PolarHBondContact O-N 3.37Å; R577-K581 VanDerWaalsContact O-N 3.08Å |
| 578 | L | 97.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 101.3 Ų | 101.3 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.8 | -45.8 | 176 | -178.3 | 60 | 0 | 0 | 0 | 112 | S574 V575 Q576 K580 K581 V582 | S574-L578 WeakPolarHBondContact O-CB 3.42Å; S574-L578 PolarHBondContact O-N 3.37Å; V575-L578 PolarHBondContact O-N 3.4Å; Q576-L578 VanDerWaalsContact C-N 3.32Å; Q576-L578 PolarHBondContact O-N 3.2Å; L578-K580 VanDerWaalsContact C-N 3.3Å; L578-K580 PolarHBondContact O-N 3.09Å; L578-K581 PolarHBondContact O-N 3.1Å; L578-K581 VanDerWaalsContact O-N 3.12Å; L578-V582 HydrophobicContact CD1-CG2 4.28Å; L578-V582 HydrophobicContact CG-CG2 4.47Å; L578-V582 WeakPolarHBondContact O-CG2 3.4Å; L578-V582 PolarHBondContact O-N 3.48Å |
| 579 | R | 95.7 | Very high | 95 | Very high | 163 Ų | 163 | 99 Ų | 99 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.6 | -43 | 174.5 | -76.9 | 173.4 | 179.4 | 149.2 | 2.4 | 111.7 | V575 Q576 V582 Q583 | V575-R579 WeakPolarHBondContact O-CB 3.29Å; V575-R579 VanDerWaalsContact O-CG 3.32Å; V575-R579 WeakPolarHBondContact O-CG 3.22Å; V575-R579 PolarHBondContact O-N 2.78Å; Q576-R579 PolarHBondContact O-N 3.48Å; R579-V582 PolarHBondContact O-N 3.29Å; R579-Q583 WeakPolarHBondContact O-CB 3.46Å; R579-Q583 PolarHBondContact O-N 2.84Å |
| 580 | K | 96.6 | Very high | 94.4 | Very high | 156 Ų | 156 | 96.6 Ų | 96.6 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 175 | -173.7 | 176.7 | 179.1 | -179.7 | 0 | 112.2 | Q576 L578 Q583 Q584 | Q576-K580 PolarHBondContact O-N 2.97Å; L578-K580 VanDerWaalsContact C-N 3.3Å; L578-K580 PolarHBondContact O-N 3.09Å; K580-Q583 PolarHBondContact O-N 3.08Å; K580-Q584 WeakPolarHBondContact O-CB 3.48Å; K580-Q584 PolarHBondContact O-N 2.92Å |
| 581 | K | 96.4 | Very high | 93.9 | Very high | 137 Ų | 137 | 98.7 Ų | 98.7 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 174.6 | -77.7 | -171.2 | 171.6 | -166.3 | 0 | 112.1 | R577 L578 Q584 C585 | R577-K581 PolarHBondContact O-N 3.37Å; R577-K581 VanDerWaalsContact O-N 3.08Å; L578-K581 PolarHBondContact O-N 3.1Å; L578-K581 VanDerWaalsContact O-N 3.12Å; K581-Q584 PolarHBondContact O-N 3.37Å; K581-C585 PolarHBondContact O-N 3.32Å; K581-C585 PolarHBondContact O-SG 2.86Å |
| 582 | V | 95.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L578 R579 Q584 C585 L586 | L578-V582 HydrophobicContact CD1-CG2 4.28Å; L578-V582 HydrophobicContact CG-CG2 4.47Å; L578-V582 WeakPolarHBondContact O-CG2 3.4Å; L578-V582 PolarHBondContact O-N 3.48Å; R579-V582 PolarHBondContact O-N 3.29Å; V582-Q584 PolarHBondContact O-N 3.44Å; V582-C585 PolarHBondContact O-N 3.21Å; V582-L586 HydrophobicContact CG1-CD1 4.13Å; V582-L586 WeakPolarHBondContact O-CG 3.46Å; V582-L586 PolarHBondContact O-N 3.37Å |
| 583 | Q | 93.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 97.3 Ų | 97.3 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 174.7 | -174.1 | 61.5 | 51 | 0 | 0 | 111.1 | R579 K580 C585 L586 D587 | R579-Q583 WeakPolarHBondContact O-CB 3.46Å; R579-Q583 PolarHBondContact O-N 2.84Å; K580-Q583 PolarHBondContact O-N 3.08Å; Q583-C585 VanDerWaalsContact C-N 3.33Å; Q583-C585 PolarHBondContact O-N 3.48Å; Q583-L586 WeakPolarHBondContact O-CB 3.26Å; Q583-L586 PolarHBondContact O-N 2.9Å; Q583-L586 VanDerWaalsContact O-N 3.08Å; Q583-D587 PolarHBondContact NE2-OD1 3.43Å; Q583-D587 PolarHBondContact O-N 3.08Å |
| 584 | Q | 93.2 | Very high | 92 | Very high | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 177 | -177.9 | 175.2 | -7.8 | 0 | 0 | 112.2 | K580 K581 V582 L586 D587 D588 | K580-Q584 WeakPolarHBondContact O-CB 3.48Å; K580-Q584 PolarHBondContact O-N 2.92Å; K581-Q584 PolarHBondContact O-N 3.37Å; V582-Q584 PolarHBondContact O-N 3.44Å; Q584-L586 VanDerWaalsContact C-N 3.31Å; Q584-L586 PolarHBondContact O-N 3.19Å; Q584-D587 PolarHBondContact O-N 2.95Å; Q584-D588 WeakPolarHBondContact CG-OD2 3.29Å; Q584-D588 PolarHBondContact NE2-OD2 2.89Å; Q584-D588 VanDerWaalsContact O-CB 3.3Å; Q584-D588 WeakPolarHBondContact O-CB 3.45Å; Q584-D588 VanDerWaalsContact O-CG 3.32Å; Q584-D588 PolarHBondContact O-N 2.95Å |
| 585 | C | 92.1 | Very high | 91.4 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -31.4 | 175.6 | -66.7 | 0 | 0 | 0 | 0 | 113.2 | K581 V582 Q583 G589 | K581-C585 PolarHBondContact O-N 3.32Å; K581-C585 PolarHBondContact O-SG 2.86Å; V582-C585 PolarHBondContact O-N 3.21Å; Q583-C585 VanDerWaalsContact C-N 3.33Å; Q583-C585 PolarHBondContact O-N 3.48Å; C585-G589 PolarHBondContact O-N 3.33Å |
| 586 | L | 90.5 | Very high | 91 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.2 | -42.4 | 173.2 | -68.9 | 169.8 | 0 | 0 | 0 | 111.5 | V582 Q583 Q584 G589 A590 | V582-L586 HydrophobicContact CG1-CD1 4.13Å; V582-L586 WeakPolarHBondContact O-CG 3.46Å; V582-L586 PolarHBondContact O-N 3.37Å; Q583-L586 WeakPolarHBondContact O-CB 3.26Å; Q583-L586 PolarHBondContact O-N 2.9Å; Q583-L586 VanDerWaalsContact O-N 3.08Å; Q584-L586 VanDerWaalsContact C-N 3.31Å; Q584-L586 PolarHBondContact O-N 3.19Å; L586-G589 PolarHBondContact O-N 3.42Å; L586-A590 WeakPolarHBondContact O-CB 3.49Å; L586-A590 PolarHBondContact O-N 2.98Å |
| 587 | D | 89.8 | Confident | 90.7 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 176.4 | -62.1 | -26.4 | 0 | 0 | 0 | 110.3 | Q583 Q584 A590 R591 | Q583-D587 PolarHBondContact NE2-OD1 3.43Å; Q583-D587 PolarHBondContact O-N 3.08Å; Q584-D587 PolarHBondContact O-N 2.95Å; D587-A590 PolarHBondContact O-N 3.27Å; D587-R591 WeakPolarHBondContact O-CB 3.49Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 2.91Å |
| 588 | D | 88.4 | Confident | 90.3 | Very high | 48 Ų | 48 | 102.6 Ų | 102.6 | 26% | 0.257 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.6 | -69.6 | -26.4 | 0 | 0 | 0 | 111.7 | Q584 A590 R591 L592 | Q584-D588 WeakPolarHBondContact CG-OD2 3.29Å; Q584-D588 PolarHBondContact NE2-OD2 2.89Å; Q584-D588 VanDerWaalsContact O-CB 3.3Å; Q584-D588 WeakPolarHBondContact O-CB 3.45Å; Q584-D588 VanDerWaalsContact O-CG 3.32Å; Q584-D588 PolarHBondContact O-N 2.95Å; D588-A590 VanDerWaalsContact C-N 3.27Å; D588-A590 PolarHBondContact O-N 3.26Å; D588-R591 PolarHBondContact O-N 2.65Å; D588-R591 IonicContact OD1-CZ 2.73Å; D588-R591 IonicContact OD1-NH1 3.39Å; D588-R591 PolarHBondContact OD1-NH1 3.48Å; D588-L592 WeakPolarHBondContact O-CG 3.46Å; D588-L592 PolarHBondContact O-N 2.82Å |
| 589 | G | 85.5 | Confident | 90 | Very high | 43 Ų | 43 | 100.9 Ų | 100.9 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -24.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C585 L586 P593 | C585-G589 PolarHBondContact O-N 3.33Å; L586-G589 PolarHBondContact O-N 3.42Å; G589-P593 WeakPolarHBondContact O-CD 3.08Å; G589-P593 WeakPolarHBondContact O-CG 3.46Å |
| 590 | A | 85.3 | Confident | 89.8 | Confident | 60 Ų | 60 | 98.1 Ų | 98.1 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -86.8 | -33.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L586 D587 D588 V594 | L586-A590 WeakPolarHBondContact O-CB 3.49Å; L586-A590 PolarHBondContact O-N 2.98Å; D587-A590 PolarHBondContact O-N 3.27Å; D588-A590 VanDerWaalsContact C-N 3.27Å; D588-A590 PolarHBondContact O-N 3.26Å; A590-V594 WeakPolarHBondContact O-CG2 3.17Å |
| 591 | R | 87.1 | Confident | 89.6 | Confident | 170 Ų | 170 | 96.4 Ų | 96.4 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | 179 | -74 | 167.6 | 69.8 | -150 | -0.1 | 112.8 | D587 D588 V594 Q595 | D587-R591 WeakPolarHBondContact O-CB 3.49Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 2.91Å; D588-R591 PolarHBondContact O-N 2.65Å; D588-R591 IonicContact OD1-CZ 2.73Å; D588-R591 IonicContact OD1-NH1 3.39Å; D588-R591 PolarHBondContact OD1-NH1 3.48Å; R591-V594 PolarHBondContact O-N 3.31Å; R591-Q595 PolarHBondContact O-N 3.09Å |
| 592 | L | 83.4 | Confident | 89.4 | Confident | 108 Ų | 108 | 91 Ų | 91 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -55.6 | -177.4 | -74.2 | 168.2 | 0 | 0 | 0 | 112.3 | D588 V594 Q595 D596 | D588-L592 WeakPolarHBondContact O-CG 3.46Å; D588-L592 PolarHBondContact O-N 2.82Å; L592-V594 PolarHBondContact O-N 3.1Å; L592-V594 VanDerWaalsContact O-N 3.15Å; L592-Q595 PolarHBondContact O-N 3.05Å; L592-D596 VanDerWaalsContact O-CG 3.31Å; L592-D596 PolarHBondContact O-N 3.35Å |
| 593 | P | 85.2 | Confident | 89.3 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -30.7 | 177 | -25.5 | 35 | 0 | 0 | 0 | 114.5 | G589 L597 | G589-P593 WeakPolarHBondContact O-CD 3.08Å; G589-P593 WeakPolarHBondContact O-CG 3.46Å; P593-L597 WeakPolarHBondContact O-CB 3.3Å; P593-L597 PolarHBondContact O-N 3.02Å |
| 594 | V | 84.8 | Confident | 89.2 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72 | -37.2 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | A590 R591 L592 K598 | A590-V594 WeakPolarHBondContact O-CG2 3.17Å; R591-V594 PolarHBondContact O-N 3.31Å; L592-V594 PolarHBondContact O-N 3.1Å; L592-V594 VanDerWaalsContact O-N 3.15Å; V594-K598 WeakPolarHBondContact O-CB 3.36Å; V594-K598 PolarHBondContact O-N 2.89Å; V594-K598 VanDerWaalsContact O-N 3.16Å |
| 595 | Q | 86.3 | Confident | 89.3 | Confident | 89 Ų | 89 | 90.9 Ų | 90.9 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -40.6 | 174.1 | -175.6 | 57.4 | 58.1 | 0 | 0 | 111.4 | R591 L592 K598 N599 | R591-Q595 PolarHBondContact O-N 3.09Å; L592-Q595 PolarHBondContact O-N 3.05Å; Q595-K598 WeakPolarHBondContact O-CB 3.27Å; Q595-K598 PolarHBondContact O-N 2.94Å; Q595-N599 PolarHBondContact NE2-OD1 3.47Å; Q595-N599 PolarHBondContact O-N 3.42Å; Q595-N599 PolarHBondContact O-ND2 2.94Å; Q595-N599 PolarHBondContact O-OD1 3.48Å |
| 596 | D | 88.7 | Confident | 89.4 | Confident | 81 Ų | 81 | 92 Ų | 92 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 177.2 | -63.7 | -28.4 | 0 | 0 | 0 | 111.4 | L592 K598 N599 L600 | L592-D596 VanDerWaalsContact O-CG 3.31Å; L592-D596 PolarHBondContact O-N 3.35Å; D596-K598 VanDerWaalsContact C-N 3.26Å; D596-K598 PolarHBondContact O-N 3.36Å; D596-N599 WeakPolarHBondContact O-CB 3.19Å; D596-N599 PolarHBondContact O-N 3.01Å; D596-N599 VanDerWaalsContact O-N 3.15Å; D596-L600 WeakPolarHBondContact O-CB 3.47Å; D596-L600 WeakPolarHBondContact O-CG 3.25Å; D596-L600 PolarHBondContact O-N 3.16Å |
| 597 | L | 90.4 | Very high | 89.6 | Confident | 117 Ų | 117 | 91.9 Ų | 91.9 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.8 | -38 | 172.8 | 179.5 | 62.5 | 0 | 0 | 0 | 111.9 | P593 L601 | P593-L597 WeakPolarHBondContact O-CB 3.3Å; P593-L597 PolarHBondContact O-N 3.02Å; L597-L601 VanDerWaalsContact O-CB 3.25Å; L597-L601 WeakPolarHBondContact O-CB 3.42Å; L597-L601 PolarHBondContact O-N 2.88Å |
| 598 | K | 90.5 | Very high | 89.8 | Confident | 143 Ų | 143 | 92.4 Ų | 92.4 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 175.9 | -176.8 | -176.9 | 175.3 | -172.6 | 0 | 112.2 | V594 Q595 D596 G602 | V594-K598 WeakPolarHBondContact O-CB 3.36Å; V594-K598 PolarHBondContact O-N 2.89Å; V594-K598 VanDerWaalsContact O-N 3.16Å; Q595-K598 WeakPolarHBondContact O-CB 3.27Å; Q595-K598 PolarHBondContact O-N 2.94Å; D596-K598 VanDerWaalsContact C-N 3.26Å; D596-K598 PolarHBondContact O-N 3.36Å; K598-G602 PolarHBondContact O-N 2.93Å; K598-G602 VanDerWaalsContact O-N 3.14Å |
| 599 | N | 90 | Very high | 90.1 | Very high | 73 Ų | 73 | 97 Ų | 97 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -52.3 | 175 | -63.5 | -15.2 | 0 | 0 | 0 | 110.3 | Q595 D596 L601 G602 E603 | Q595-N599 PolarHBondContact NE2-OD1 3.47Å; Q595-N599 PolarHBondContact O-N 3.42Å; Q595-N599 PolarHBondContact O-ND2 2.94Å; Q595-N599 PolarHBondContact O-OD1 3.48Å; D596-N599 WeakPolarHBondContact O-CB 3.19Å; D596-N599 PolarHBondContact O-N 3.01Å; D596-N599 VanDerWaalsContact O-N 3.15Å; N599-L601 VanDerWaalsContact C-N 3.3Å; N599-L601 PolarHBondContact O-N 2.86Å; N599-G602 CarbonylContact O-C 3.5Å; N599-G602 WeakPolarHBondContact O-CA 3.2Å; N599-G602 PolarHBondContact O-N 3.33Å; N599-E603 PolarHBondContact O-N 3.21Å |
| 600 | L | 92.2 | Very high | 90.3 | Very high | 104 Ų | 104 | 100.7 Ų | 100.7 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -36.5 | 177.9 | -71.6 | 170 | 0 | 0 | 0 | 112.8 | D596 E603 N604 | D596-L600 WeakPolarHBondContact O-CB 3.47Å; D596-L600 WeakPolarHBondContact O-CG 3.25Å; D596-L600 PolarHBondContact O-N 3.16Å; L600-E603 PolarHBondContact O-N 2.95Å; L600-N604 WeakPolarHBondContact O-CB 3.26Å; L600-N604 PolarHBondContact O-N 3.48Å |
| 601 | L | 92.5 | Very high | 90.7 | Very high | 120 Ų | 120 | 103.3 Ų | 103.3 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.4 | -39.2 | 173.9 | -170.8 | 155.8 | 0 | 0 | 0 | 111.4 | L597 N599 S605 | L597-L601 VanDerWaalsContact O-CB 3.25Å; L597-L601 WeakPolarHBondContact O-CB 3.42Å; L597-L601 PolarHBondContact O-N 2.88Å; N599-L601 VanDerWaalsContact C-N 3.3Å; N599-L601 PolarHBondContact O-N 2.86Å; L601-S605 PolarHBondContact O-N 3.15Å |
| 602 | G | 92.1 | Very high | 91 | Very high | 24 Ų | 24 | 99.8 Ų | 99.8 | 25% | 0.247 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K598 N599 N604 S605 Q606 | K598-G602 PolarHBondContact O-N 2.93Å; K598-G602 VanDerWaalsContact O-N 3.14Å; N599-G602 CarbonylContact O-C 3.5Å; N599-G602 WeakPolarHBondContact O-CA 3.2Å; N599-G602 PolarHBondContact O-N 3.33Å; G602-N604 PolarHBondContact O-N 3.26Å; G602-S605 PolarHBondContact O-N 3.35Å; G602-S605 PolarHBondContact O-OG 3.48Å; G602-Q606 WeakPolarHBondContact O-CG 3.41Å; G602-Q606 PolarHBondContact O-N 3.34Å; G602-Q606 VanDerWaalsContact O-N 3.11Å |
| 603 | E | 93.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 176.1 | -70.2 | 169.9 | -164.2 | 0 | 0 | 112 | N599 L600 S605 Q606 L607 | N599-E603 PolarHBondContact O-N 3.21Å; L600-E603 PolarHBondContact O-N 2.95Å; E603-S605 VanDerWaalsContact C-N 3.31Å; E603-S605 PolarHBondContact O-N 3.14Å; E603-Q606 WeakPolarHBondContact O-CB 3.28Å; E603-Q606 PolarHBondContact O-N 2.78Å; E603-Q606 VanDerWaalsContact O-N 3.12Å; E603-L607 WeakPolarHBondContact O-CG 3.39Å; E603-L607 PolarHBondContact O-N 3.49Å |
| 604 | N | 92.9 | Very high | 91.8 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 176.7 | -167.1 | -79.6 | 0 | 0 | 0 | 111.7 | L600 G602 Q606 L607 L608 | L600-N604 WeakPolarHBondContact O-CB 3.26Å; L600-N604 PolarHBondContact O-N 3.48Å; G602-N604 PolarHBondContact O-N 3.26Å; N604-Q606 PolarHBondContact O-N 2.92Å; N604-L607 PolarHBondContact O-N 3Å; N604-L608 WeakPolarHBondContact O-CB 3.4Å; N604-L608 PolarHBondContact O-N 2.96Å |
| 605 | S | 94.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 95.9 Ų | 95.9 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 175.1 | 77 | 0 | 0 | 0 | 0 | 113.1 | L601 G602 E603 Q609 | L601-S605 PolarHBondContact O-N 3.15Å; G602-S605 PolarHBondContact O-N 3.35Å; G602-S605 PolarHBondContact O-OG 3.48Å; E603-S605 VanDerWaalsContact C-N 3.31Å; E603-S605 PolarHBondContact O-N 3.14Å; S605-Q609 PolarHBondContact O-N 2.82Å |
| 606 | Q | 94.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 174.4 | -66.1 | 176.9 | 29.6 | 0 | 0 | 111.5 | G602 E603 N604 L608 Q609 Q610 | G602-Q606 WeakPolarHBondContact O-CG 3.41Å; G602-Q606 PolarHBondContact O-N 3.34Å; G602-Q606 VanDerWaalsContact O-N 3.11Å; E603-Q606 WeakPolarHBondContact O-CB 3.28Å; E603-Q606 PolarHBondContact O-N 2.78Å; E603-Q606 VanDerWaalsContact O-N 3.12Å; N604-Q606 PolarHBondContact O-N 2.92Å; Q606-L608 VanDerWaalsContact C-N 3.32Å; Q606-L608 PolarHBondContact O-N 2.89Å; Q606-Q609 PolarHBondContact O-N 3.2Å; Q606-Q610 WeakPolarHBondContact O-CG 3.43Å; Q606-Q610 PolarHBondContact O-N 3.32Å |
| 607 | L | 94.1 | Very high | 92.9 | Very high | 104 Ų | 104 | 96 Ų | 96 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 175.3 | -71.9 | 170.9 | 0 | 0 | 0 | 111.8 | E603 N604 Q610 Q611 | E603-L607 WeakPolarHBondContact O-CG 3.39Å; E603-L607 PolarHBondContact O-N 3.49Å; N604-L607 PolarHBondContact O-N 3Å; L607-Q610 PolarHBondContact O-N 3.17Å; L607-Q611 WeakPolarHBondContact O-CB 3.44Å; L607-Q611 PolarHBondContact O-N 2.99Å |
| 608 | L | 94.7 | Very high | 93 | Very high | 88 Ų | 88 | 94.8 Ų | 94.8 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 173.8 | -172.8 | 65.9 | 0 | 0 | 0 | 111.2 | N604 Q606 Q610 Q611 D612 | N604-L608 WeakPolarHBondContact O-CB 3.4Å; N604-L608 PolarHBondContact O-N 2.96Å; Q606-L608 VanDerWaalsContact C-N 3.32Å; Q606-L608 PolarHBondContact O-N 2.89Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 3.06Å; L608-Q611 WeakPolarHBondContact O-CB 3.36Å; L608-Q611 PolarHBondContact O-N 3.31Å; L608-D612 PolarHBondContact O-N 3.25Å |
| 609 | Q | 93.6 | Very high | 93.1 | Very high | 146 Ų | 146 | 95 Ų | 95 | 68% | 0.682 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 174.1 | -171.4 | -179.6 | 9.4 | 0 | 0 | 112.2 | S605 Q606 S613 | S605-Q609 PolarHBondContact O-N 2.82Å; Q606-Q609 PolarHBondContact O-N 3.2Å; Q609-S613 PolarHBondContact O-N 3.48Å; Q609-S613 PolarHBondContact O-OG 2.97Å |
| 610 | Q | 91.6 | Very high | 93.3 | Very high | 120 Ų | 120 | 96.6 Ų | 96.6 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 171.9 | -73.3 | 179.8 | 5.9 | 0 | 0 | 111.4 | Q606 L607 L608 D612 S613 S614 | Q606-Q610 WeakPolarHBondContact O-CG 3.43Å; Q606-Q610 PolarHBondContact O-N 3.32Å; L607-Q610 PolarHBondContact O-N 3.17Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 3.06Å; Q610-D612 PolarHBondContact O-N 3.48Å; Q610-S613 PolarHBondContact O-N 2.83Å; Q610-S613 PolarHBondContact O-OG 3.31Å; Q610-S614 WeakPolarHBondContact O-CB 3.47Å; Q610-S614 PolarHBondContact O-N 3.47Å |
| 611 | Q | 91.9 | Very high | 93.3 | Very high | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.7 | -175.2 | 178.7 | 0.3 | 0 | 0 | 112 | L607 L608 S614 N615 | L607-Q611 WeakPolarHBondContact O-CB 3.44Å; L607-Q611 PolarHBondContact O-N 2.99Å; L608-Q611 WeakPolarHBondContact O-CB 3.36Å; L608-Q611 PolarHBondContact O-N 3.31Å; Q611-S614 PolarHBondContact O-N 3.35Å; Q611-N615 WeakPolarHBondContact O-CB 3.45Å; Q611-N615 PolarHBondContact O-N 2.88Å; Q611-N615 PolarHBondContact O-ND2 3.48Å |
| 612 | D | 94.2 | Very high | 93.4 | Very high | 96 Ų | 96 | 96.9 Ų | 96.9 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 177.1 | -81.2 | -22.9 | 0 | 0 | 0 | 112.4 | L608 Q610 S614 N615 M616 | L608-D612 PolarHBondContact O-N 3.25Å; Q610-D612 PolarHBondContact O-N 3.48Å; D612-S614 VanDerWaalsContact C-N 3.35Å; D612-N615 PolarHBondContact O-N 2.87Å; D612-M616 PolarHBondContact O-N 3.37Å |
| 613 | S | 93.4 | Very high | 93.4 | Very high | 71 Ų | 71 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 172.7 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | Q609 Q610 M616 V617 | Q609-S613 PolarHBondContact O-N 3.48Å; Q609-S613 PolarHBondContact O-OG 2.97Å; Q610-S613 PolarHBondContact O-N 2.83Å; Q610-S613 PolarHBondContact O-OG 3.31Å; S613-M616 WeakPolarHBondContact O-CB 3.27Å; S613-M616 PolarHBondContact O-N 2.87Å; S613-V617 WeakPolarHBondContact O-CG2 3.34Å; S613-V617 PolarHBondContact O-N 2.99Å |
| 614 | S | 92.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 98.9 Ų | 98.9 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | Q610 Q611 D612 M616 V617 L618 | Q610-S614 WeakPolarHBondContact O-CB 3.47Å; Q610-S614 PolarHBondContact O-N 3.47Å; Q611-S614 PolarHBondContact O-N 3.35Å; D612-S614 VanDerWaalsContact C-N 3.35Å; S614-M616 VanDerWaalsContact C-N 3.29Å; S614-M616 PolarHBondContact O-N 2.89Å; S614-V617 PolarHBondContact O-N 3.32Å; S614-V617 VanDerWaalsContact O-N 3.17Å; S614-L618 WeakPolarHBondContact O-CB 3.35Å; S614-L618 VanDerWaalsContact O-CG 3.32Å; S614-L618 WeakPolarHBondContact O-CG 3.37Å; S614-L618 PolarHBondContact O-N 3.12Å |
| 615 | N | 93.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 98.8 Ų | 98.8 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -35.2 | 173.3 | -83.5 | -35.6 | 0 | 0 | 0 | 112.6 | Q611 D612 R619 | Q611-N615 WeakPolarHBondContact O-CB 3.45Å; Q611-N615 PolarHBondContact O-N 2.88Å; Q611-N615 PolarHBondContact O-ND2 3.48Å; D612-N615 PolarHBondContact O-N 2.87Å; N615-R619 WeakPolarHBondContact O-CB 3.18Å; N615-R619 PolarHBondContact O-N 3.06Å |
| 616 | M | 94.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 100.8 Ų | 100.8 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 173.1 | -174.9 | 66.5 | 97.7 | 0 | 0 | 111.3 | D612 S613 S614 R619 I620 | D612-M616 PolarHBondContact O-N 3.37Å; S613-M616 WeakPolarHBondContact O-CB 3.27Å; S613-M616 PolarHBondContact O-N 2.87Å; S614-M616 VanDerWaalsContact C-N 3.29Å; S614-M616 PolarHBondContact O-N 2.89Å; M616-R619 WeakPolarHBondContact O-CB 3.44Å; M616-R619 PolarHBondContact O-N 3.38Å; M616-I620 HydrophobicContact CG-CD1 4.12Å; M616-I620 WeakPolarHBondContact O-CG1 3.37Å; M616-I620 PolarHBondContact O-N 2.82Å |
| 617 | V | 93.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | S613 S614 R619 I620 Q621 | S613-V617 WeakPolarHBondContact O-CG2 3.34Å; S613-V617 PolarHBondContact O-N 2.99Å; S614-V617 PolarHBondContact O-N 3.32Å; S614-V617 VanDerWaalsContact O-N 3.17Å; V617-R619 VanDerWaalsContact C-N 3.3Å; V617-R619 PolarHBondContact O-N 3.21Å; V617-I620 PolarHBondContact O-N 3.15Å; V617-Q621 HydrophobicContact CG1-CG 4.36Å; V617-Q621 WeakPolarHBondContact O-CB 3.49Å; V617-Q621 WeakPolarHBondContact O-CG 3.26Å; V617-Q621 PolarHBondContact O-N 3.26Å |
| 618 | L | 93 | Very high | 93.2 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 175.9 | -73.2 | 171.2 | 0 | 0 | 0 | 112.2 | S614 K622 | S614-L618 WeakPolarHBondContact O-CB 3.35Å; S614-L618 VanDerWaalsContact O-CG 3.32Å; S614-L618 WeakPolarHBondContact O-CG 3.37Å; S614-L618 PolarHBondContact O-N 3.12Å; L618-K622 VanDerWaalsContact O-CB 3.25Å; L618-K622 WeakPolarHBondContact O-CB 3.38Å; L618-K622 PolarHBondContact O-N 3.11Å |
| 619 | R | 93.5 | Very high | 93 | Very high | 147 Ų | 147 | 98.6 Ų | 98.6 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -51.1 | 173.1 | -170 | -177 | -56.1 | 160.6 | 6.4 | 111.1 | N615 M616 V617 Q621 K622 D623 | N615-R619 WeakPolarHBondContact O-CB 3.18Å; N615-R619 PolarHBondContact O-N 3.06Å; M616-R619 WeakPolarHBondContact O-CB 3.44Å; M616-R619 PolarHBondContact O-N 3.38Å; V617-R619 VanDerWaalsContact C-N 3.3Å; V617-R619 PolarHBondContact O-N 3.21Å; R619-Q621 VanDerWaalsContact C-N 3.29Å; R619-Q621 PolarHBondContact O-N 3.03Å; R619-K622 WeakPolarHBondContact O-CB 3.3Å; R619-K622 PolarHBondContact O-N 2.68Å; R619-K622 VanDerWaalsContact O-N 3.09Å; R619-D623 PolarHBondContact O-N 2.98Å |
| 620 | I | 93.9 | Very high | 92.8 | Very high | 106 Ų | 106 | 95.1 Ų | 95.1 | 54% | 0.544 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 177.5 | -66 | 163.1 | 0 | 0 | 0 | 110.9 | M616 V617 E624 | M616-I620 HydrophobicContact CG-CD1 4.12Å; M616-I620 WeakPolarHBondContact O-CG1 3.37Å; M616-I620 PolarHBondContact O-N 2.82Å; V617-I620 PolarHBondContact O-N 3.15Å; I620-E624 WeakPolarHBondContact O-CB 3.34Å; I620-E624 PolarHBondContact O-N 2.87Å |
| 621 | Q | 92.4 | Very high | 92.7 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 175.2 | -74.1 | 178.7 | -8.7 | 0 | 0 | 112.3 | V617 R619 E624 I625 | V617-Q621 HydrophobicContact CG1-CG 4.36Å; V617-Q621 WeakPolarHBondContact O-CB 3.49Å; V617-Q621 WeakPolarHBondContact O-CG 3.26Å; V617-Q621 PolarHBondContact O-N 3.26Å; R619-Q621 VanDerWaalsContact C-N 3.29Å; R619-Q621 PolarHBondContact O-N 3.03Å; Q621-E624 PolarHBondContact O-N 3.11Å; Q621-I625 WeakPolarHBondContact O-CB 3.24Å; Q621-I625 WeakPolarHBondContact O-CD1 3.42Å; Q621-I625 WeakPolarHBondContact O-CG1 3.49Å; Q621-I625 PolarHBondContact O-N 3.26Å |
| 622 | K | 93.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 94.2 Ų | 94.2 | 55% | 0.548 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.3 | -171.5 | -155 | 168.5 | -143.1 | 0 | 111.1 | L618 R619 E624 I625 E626 | L618-K622 VanDerWaalsContact O-CB 3.25Å; L618-K622 WeakPolarHBondContact O-CB 3.38Å; L618-K622 PolarHBondContact O-N 3.11Å; R619-K622 WeakPolarHBondContact O-CB 3.3Å; R619-K622 PolarHBondContact O-N 2.68Å; R619-K622 VanDerWaalsContact O-N 3.09Å; K622-E624 VanDerWaalsContact C-N 3.31Å; K622-E624 PolarHBondContact O-N 3.06Å; K622-I625 CarbonylContact O-C 3.47Å; K622-I625 PolarHBondContact O-N 3.08Å; K622-E626 IonicContact NZ-OE2 3.65Å; K622-E626 WeakPolarHBondContact O-CB 3.42Å; K622-E626 PolarHBondContact O-N 3.37Å |
| 623 | D | 93.6 | Very high | 92 | Very high | 87 Ų | 87 | 96 Ų | 96 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | -179 | -60.6 | -17.3 | 0 | 0 | 0 | 110.7 | R619 E626 R627 | R619-D623 PolarHBondContact O-N 2.98Å; D623-E626 PolarHBondContact O-N 3.38Å; D623-R627 WeakPolarHBondContact O-CB 3.42Å; D623-R627 PolarHBondContact O-N 3.39Å |
| 624 | E | 93 | Very high | 91.5 | Very high | 83 Ų | 83 | 94.6 Ų | 94.6 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 172.5 | 176.6 | 60.2 | -171.5 | 0 | 0 | 112.8 | I620 Q621 K622 E626 R627 L628 | I620-E624 WeakPolarHBondContact O-CB 3.34Å; I620-E624 PolarHBondContact O-N 2.87Å; Q621-E624 PolarHBondContact O-N 3.11Å; K622-E624 VanDerWaalsContact C-N 3.31Å; K622-E624 PolarHBondContact O-N 3.06Å; E624-E626 VanDerWaalsContact C-N 3.35Å; E624-R627 WeakPolarHBondContact O-CB 3.31Å; E624-R627 PolarHBondContact O-N 2.91Å; E624-R627 IonicContact OE1-CZ 3.76Å; E624-R627 IonicContact OE1-NE 3.35Å; E624-R627 IonicContact OE1-NH2 3.89Å; E624-R627 PolarHBondContact OE1-NH2 2.96Å; E624-R627 IonicContact OE2-CZ 2.62Å; E624-R627 IonicContact OE2-NE 2.71Å; E624-R627 PolarHBondContact OE2-NE 3.42Å; E624-R627 IonicContact OE2-NH2 3.52Å; E624-R627 PolarHBondContact OE2-NH2 2.97Å; E624-L628 HydrophobicContact CG-CD1 4.18Å; E624-L628 WeakPolarHBondContact O-CB 3.5Å; E624-L628 WeakPolarHBondContact O-CG 3.47Å; E624-L628 PolarHBondContact O-N 3Å |
| 625 | I | 90.9 | Very high | 91 | Very high | 104 Ų | 104 | 94.2 Ų | 94.2 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 172 | -73.1 | 163.4 | 0 | 0 | 0 | 110.5 | Q621 K622 L628 T629 | Q621-I625 WeakPolarHBondContact O-CB 3.24Å; Q621-I625 WeakPolarHBondContact O-CD1 3.42Å; Q621-I625 WeakPolarHBondContact O-CG1 3.49Å; Q621-I625 PolarHBondContact O-N 3.26Å; K622-I625 CarbonylContact O-C 3.47Å; K622-I625 PolarHBondContact O-N 3.08Å; I625-L628 PolarHBondContact O-N 2.91Å; I625-T629 WeakPolarHBondContact O-CB 3.35Å; I625-T629 PolarHBondContact O-N 3.45Å; I625-T629 PolarHBondContact O-OG1 3.47Å |
| 626 | E | 93.3 | Very high | 90.2 | Very high | 108 Ų | 108 | 93.4 Ų | 93.4 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 178.1 | -165.7 | 167.1 | 151.9 | 0 | 0 | 110.9 | K622 D623 E624 S630 | K622-E626 IonicContact NZ-OE2 3.65Å; K622-E626 WeakPolarHBondContact O-CB 3.42Å; K622-E626 PolarHBondContact O-N 3.37Å; D623-E626 PolarHBondContact O-N 3.38Å; E624-E626 VanDerWaalsContact C-N 3.35Å; E626-S630 VanDerWaalsContact O-CB 3.26Å; E626-S630 WeakPolarHBondContact O-CB 3.42Å; E626-S630 PolarHBondContact O-N 3Å; E626-S630 PolarHBondContact O-OG 3.37Å |
| 627 | R | 93.8 | Very high | 89.2 | Confident | 114 Ų | 114 | 90.3 Ų | 90.3 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 170.1 | -166.5 | -162.5 | 65.2 | 65.8 | -1.8 | 112.1 | D623 E624 S630 Q631 | D623-R627 WeakPolarHBondContact O-CB 3.42Å; D623-R627 PolarHBondContact O-N 3.39Å; E624-R627 WeakPolarHBondContact O-CB 3.31Å; E624-R627 PolarHBondContact O-N 2.91Å; E624-R627 IonicContact OE1-CZ 3.76Å; E624-R627 IonicContact OE1-NE 3.35Å; E624-R627 IonicContact OE1-NH2 3.89Å; E624-R627 PolarHBondContact OE1-NH2 2.96Å; E624-R627 IonicContact OE2-CZ 2.62Å; E624-R627 IonicContact OE2-NE 2.71Å; E624-R627 PolarHBondContact OE2-NE 3.42Å; E624-R627 IonicContact OE2-NH2 3.52Å; E624-R627 PolarHBondContact OE2-NH2 2.97Å; R627-S630 PolarHBondContact O-N 3.16Å; R627-Q631 WeakPolarHBondContact O-CB 3.33Å; R627-Q631 PolarHBondContact O-N 2.97Å |
| 628 | L | 92.6 | Very high | 88.3 | Confident | 79 Ų | 79 | 94 Ų | 94 | 41% | 0.414 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 178.1 | -75.1 | 169.2 | 0 | 0 | 0 | 112.2 | E624 I625 Q631 L632 | E624-L628 HydrophobicContact CG-CD1 4.18Å; E624-L628 WeakPolarHBondContact O-CB 3.5Å; E624-L628 WeakPolarHBondContact O-CG 3.47Å; E624-L628 PolarHBondContact O-N 3Å; I625-L628 PolarHBondContact O-N 2.91Å; L628-Q631 WeakPolarHBondContact O-CB 3.32Å; L628-Q631 PolarHBondContact O-N 3.02Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 PolarHBondContact O-N 3.18Å |
| 629 | T | 90.2 | Very high | 86.8 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | I625 Q631 L632 M633 | I625-T629 WeakPolarHBondContact O-CB 3.35Å; I625-T629 PolarHBondContact O-N 3.45Å; I625-T629 PolarHBondContact O-OG1 3.47Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.31Å; T629-L632 PolarHBondContact O-N 2.96Å; T629-M633 HydrophobicContact CG2-CG 4.38Å; T629-M633 WeakPolarHBondContact O-CB 3.35Å; T629-M633 WeakPolarHBondContact O-CG 3.45Å; T629-M633 PolarHBondContact O-N 3.3Å |
| 630 | S | 91.1 | Very high | 85.3 | Confident | 73 Ų | 73 | 91.9 Ų | 91.9 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | E626 R627 A634 | E626-S630 VanDerWaalsContact O-CB 3.26Å; E626-S630 WeakPolarHBondContact O-CB 3.42Å; E626-S630 PolarHBondContact O-N 3Å; E626-S630 PolarHBondContact O-OG 3.37Å; R627-S630 PolarHBondContact O-N 3.16Å; S630-A634 VanDerWaalsContact O-CB 3.26Å; S630-A634 WeakPolarHBondContact O-CB 3.25Å; S630-A634 PolarHBondContact O-N 3.38Å |
| 631 | Q | 89.5 | Confident | 83.6 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 175 | -170.5 | 172.4 | 3.4 | 0 | 0 | 112.2 | R627 L628 T629 A634 T635 | R627-Q631 WeakPolarHBondContact O-CB 3.33Å; R627-Q631 PolarHBondContact O-N 2.97Å; L628-Q631 WeakPolarHBondContact O-CB 3.32Å; L628-Q631 PolarHBondContact O-N 3.02Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.31Å; Q631-A634 PolarHBondContact O-N 2.79Å; Q631-T635 PolarHBondContact O-N 3.03Å; Q631-T635 PolarHBondContact O-OG1 3.35Å |
| 632 | L | 86.5 | Confident | 82 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71 | -40.4 | 176.5 | -179 | 62.2 | 0 | 0 | 0 | 112.6 | L628 T629 A634 T635 S636 | L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 PolarHBondContact O-N 3.18Å; T629-L632 PolarHBondContact O-N 2.96Å; L632-A634 VanDerWaalsContact C-N 3.29Å; L632-A634 PolarHBondContact O-N 2.88Å; L632-T635 WeakPolarHBondContact CA-OG1 3.26Å; L632-T635 PolarHBondContact O-N 3.48Å; L632-T635 PolarHBondContact O-OG1 2.62Å; L632-S636 WeakPolarHBondContact O-CB 3.42Å; L632-S636 PolarHBondContact O-N 2.86Å |
| 633 | M | 83.8 | Confident | 80 | Confident | 133 Ų | 133 | 100.8 Ų | 100.8 | 66% | 0.655 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -34.2 | 173.3 | -71 | -61.9 | -74.7 | 0 | 0 | 110.9 | T629 G637 | T629-M633 HydrophobicContact CG2-CG 4.38Å; T629-M633 WeakPolarHBondContact O-CB 3.35Å; T629-M633 WeakPolarHBondContact O-CG 3.45Å; T629-M633 PolarHBondContact O-N 3.3Å; M633-G637 PolarHBondContact O-N 2.92Å |
| 634 | A | 83.8 | Confident | 77.7 | Confident | 42 Ų | 42 | 102.5 Ų | 102.5 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.6 | -36.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S630 Q631 L632 R638 | S630-A634 VanDerWaalsContact O-CB 3.26Å; S630-A634 WeakPolarHBondContact O-CB 3.25Å; S630-A634 PolarHBondContact O-N 3.38Å; Q631-A634 PolarHBondContact O-N 2.79Å; L632-A634 VanDerWaalsContact C-N 3.29Å; L632-A634 PolarHBondContact O-N 2.88Å; A634-R638 VanDerWaalsContact O-CG 3.31Å; A634-R638 WeakPolarHBondContact O-CG 3.36Å; A634-R638 VanDerWaalsContact O-CZ 3.23Å; A634-R638 PolarHBondContact O-N 3.17Å; A634-R638 PolarHBondContact O-NE 3.45Å; A634-R638 PolarHBondContact O-NH1 3.36Å; A634-R638 VanDerWaalsContact O-NH1 3.17Å |
| 635 | T | 80.4 | Confident | 75.6 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.331 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 171.9 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | Q631 L632 R638 L639 | Q631-T635 PolarHBondContact O-N 3.03Å; Q631-T635 PolarHBondContact O-OG1 3.35Å; L632-T635 WeakPolarHBondContact CA-OG1 3.26Å; L632-T635 PolarHBondContact O-N 3.48Å; L632-T635 PolarHBondContact O-OG1 2.62Å; T635-R638 VanDerWaalsContact CG2-NH2 3.33Å; T635-R638 CarbonylContact O-C 3.59Å; T635-R638 WeakPolarHBondContact O-CB 3.48Å; T635-R638 PolarHBondContact O-N 2.8Å; T635-R638 VanDerWaalsContact O-N 3.16Å; T635-L639 WeakPolarHBondContact O-CG 3.38Å; T635-L639 PolarHBondContact O-N 3.37Å |
| 636 | S | 76.9 | Confident | 73.2 | Confident | 54 Ų | 54 | 101.8 Ų | 101.8 | 38% | 0.378 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | L632 R638 L639 L640 | L632-S636 WeakPolarHBondContact O-CB 3.42Å; L632-S636 PolarHBondContact O-N 2.86Å; S636-R638 VanDerWaalsContact C-N 3.31Å; S636-R638 PolarHBondContact O-N 3.46Å; S636-L639 CarbonylContact O-C 3.52Å; S636-L639 WeakPolarHBondContact O-CA 3.28Å; S636-L639 WeakPolarHBondContact O-CB 3.25Å; S636-L639 PolarHBondContact O-N 2.87Å; S636-L640 PolarHBondContact O-N 3.37Å |
| 637 | G | 74.9 | Confident | 70.3 | Confident | 33 Ų | 33 | 105.6 Ų | 105.6 | 34% | 0.34 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.7 | -32.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M633 L639 K641 | M633-G637 PolarHBondContact O-N 2.92Å; G637-L639 VanDerWaalsContact C-N 3.33Å; G637-K641 WeakPolarHBondContact O-CB 3.33Å; G637-K641 PolarHBondContact O-N 2.85Å |
| 638 | R | 74.1 | Confident | 68.5 | Low | 152 Ų | 152 | 105.2 Ų | 105.2 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.4 | -25.3 | 169.8 | -74.8 | -173.6 | -62.8 | -92.4 | 8.3 | 113.1 | A634 T635 S636 K642 | A634-R638 VanDerWaalsContact O-CG 3.31Å; A634-R638 WeakPolarHBondContact O-CG 3.36Å; A634-R638 VanDerWaalsContact O-CZ 3.23Å; A634-R638 PolarHBondContact O-N 3.17Å; A634-R638 PolarHBondContact O-NE 3.45Å; A634-R638 PolarHBondContact O-NH1 3.36Å; A634-R638 VanDerWaalsContact O-NH1 3.17Å; T635-R638 VanDerWaalsContact CG2-NH2 3.33Å; T635-R638 CarbonylContact O-C 3.59Å; T635-R638 WeakPolarHBondContact O-CB 3.48Å; T635-R638 PolarHBondContact O-N 2.8Å; T635-R638 VanDerWaalsContact O-N 3.16Å; S636-R638 VanDerWaalsContact C-N 3.31Å; S636-R638 PolarHBondContact O-N 3.46Å; R638-K642 WeakPolarHBondContact O-CG 3.38Å; R638-K642 PolarHBondContact O-N 3.43Å |
| 639 | L | 62.3 | Low | 66.9 | Low | 100 Ų | 100 | 106.9 Ų | 106.9 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -83.6 | -32.4 | 173.4 | -68.7 | 170.3 | 0 | 0 | 0 | 112.3 | T635 S636 G637 K642 R643 | T635-L639 WeakPolarHBondContact O-CG 3.38Å; T635-L639 PolarHBondContact O-N 3.37Å; S636-L639 CarbonylContact O-C 3.52Å; S636-L639 WeakPolarHBondContact O-CA 3.28Å; S636-L639 WeakPolarHBondContact O-CB 3.25Å; S636-L639 PolarHBondContact O-N 2.87Å; G637-L639 VanDerWaalsContact C-N 3.33Å; L639-K642 PolarHBondContact O-N 3.27Å; L639-R643 PolarHBondContact O-N 3.03Å; L639-R643 VanDerWaalsContact O-N 3.08Å |
| 640 | L | 60.5 | Low | 64.5 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.2 | -49.7 | 171.3 | -124.1 | 73.6 | 0 | 0 | 0 | 110.4 | S636 K642 R643 D644 | S636-L640 PolarHBondContact O-N 3.37Å; L640-K642 PolarHBondContact O-N 3.27Å; L640-R643 CarbonylContact O-C 3.55Å; L640-R643 WeakPolarHBondContact O-CA 3.5Å; L640-R643 WeakPolarHBondContact O-CB 3.41Å; L640-R643 PolarHBondContact O-N 3.48Å; L640-D644 VanDerWaalsContact C-OD2 3.26Å; L640-D644 PolarHBondContact O-N 2.99Å; L640-D644 VanDerWaalsContact O-OD2 3.05Å |
| 641 | K | 59.6 | Low | 62.1 | Low | 174 Ų | 174 | 111 Ų | 111 | 76% | 0.757 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.2 | -12.1 | 171.2 | -79 | -170.5 | 171.2 | -175 | 0 | 114.9 | G637 | G637-K641 WeakPolarHBondContact O-CB 3.33Å; G637-K641 PolarHBondContact O-N 2.85Å |
| 642 | K | 58.8 | Low | 59.8 | Low | 171 Ų | 171 | 112.1 Ų | 112.1 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -93.7 | -17.8 | 168.5 | -81.6 | -173.2 | 172.1 | -168.4 | 0 | 113.8 | R638 L639 L640 | R638-K642 WeakPolarHBondContact O-CG 3.38Å; R638-K642 PolarHBondContact O-N 3.43Å; L639-K642 PolarHBondContact O-N 3.27Å; L640-K642 PolarHBondContact O-N 3.27Å |
| 643 | R | 50.4 | Low | 57.6 | Low | 177 Ų | 177 | 110.8 Ų | 110.8 | 67% | 0.668 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -84.8 | -37.8 | 168.3 | -82.2 | -171 | 165.9 | 94 | -2 | 112.3 | L639 L640 A645 A646 | L639-R643 PolarHBondContact O-N 3.03Å; L639-R643 VanDerWaalsContact O-N 3.08Å; L640-R643 CarbonylContact O-C 3.55Å; L640-R643 WeakPolarHBondContact O-CA 3.5Å; L640-R643 WeakPolarHBondContact O-CB 3.41Å; L640-R643 PolarHBondContact O-N 3.48Å; R643-A645 PolarHBondContact O-N 2.9Å; R643-A646 PolarHBondContact O-N 3.36Å |
| 644 | D | 46.4 | Very low | 55.7 | Low | 123 Ų | 123 | 112 Ų | 112 | 66% | 0.658 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 8.7 | -177.9 | -54.5 | -35.6 | 0 | 0 | 0 | 114.3 | L640 | L640-D644 VanDerWaalsContact C-OD2 3.26Å; L640-D644 PolarHBondContact O-N 2.99Å; L640-D644 VanDerWaalsContact O-OD2 3.05Å |
| 645 | A | 47.7 | Very low | 53.8 | Low | 91 Ų | 91 | 117.1 Ų | 117.1 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R643 | R643-A645 PolarHBondContact O-N 2.9Š|
| 646 | A | 41.1 | Very low | 52.2 | Low | 81 Ų | 81 | 122 Ų | 122 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -150 | 149.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R643 | R643-A646 PolarHBondContact O-N 3.36Š|
| 647 | H | 32.6 | Very low | 50.6 | Low | 188 Ų | 188 | 125.9 Ų | 125.9 | 87% | 0.87 | 68% | 0.684 | S | S | * | * | trans | -67.4 | 154 | -170.9 | -100.8 | -91 | 0 | 0 | 0 | 115 | ||||
| 648 | P | 56.2 | Low | 49.4 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | trans | -85.9 | -174.2 | 172.8 | 41.7 | -38.6 | 0 | 0 | 0 | 110.8 | ||||
| 649 | P | 58.3 | Low | 48.3 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 70% | 0.702 | S | S | * | * | cis | -130.3 | -174.4 | 3.7 | 42.5 | -26.3 | 0 | 0 | 0 | 114.4 | ||||
| 650 | V | 38.8 | Very low | 47.8 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | 175 | 140.1 | 126.7 | 148.8 | 0 | 0 | 0 | 0 | 109 | C652 | V650-C652 HydrophobicContact CG1-CB 4.43Š| |||
| 651 | A | 41.8 | Very low | 47.5 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -80.6 | 115.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 652 | C | 40.8 | Very low | 47.1 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -159.7 | 79.6 | 170.1 | -144.1 | 0 | 0 | 0 | 0 | 112 | V650 | V650-C652 HydrophobicContact CG1-CB 4.43Š| ||
| 653 | S | 40.1 | Very low | 46.8 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | trans | -154.5 | 8.6 | 169.1 | -164.4 | 0 | 0 | 0 | 0 | 115.4 | Q655 | S653-Q655 PolarHBondContact O-N 3.12Š| ||
| 654 | L | 44.2 | Very low | 46.7 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 60.1 | 171.3 | -74.8 | 172.6 | 0 | 0 | 0 | 111 | ||
| 655 | Q | 43.5 | Very low | 46.6 | Very low | 151 Ų | 151 | 117.9 Ų | 117.9 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | 13.3 | 174.2 | -144.5 | 175.1 | 17 | 0 | 0 | 112.7 | S653 | S653-Q655 PolarHBondContact O-N 3.12Š|
| 656 | K | 46.9 | Very low | 46.5 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -115.9 | -18.7 | 177.1 | -73.5 | -171.3 | 174.8 | -177.9 | 0 | 114.3 | ||
| 657 | E | 44.3 | Very low | 46.5 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 64% | 0.64 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75.8 | -37.1 | 174 | -63.9 | -167.6 | 136.3 | 0 | 0 | 111.7 | N659 L660 V661 | E657-N659 VanDerWaalsContact C-N 3.31Å; E657-N659 PolarHBondContact O-N 3.13Å; E657-L660 PolarHBondContact O-N 3.35Å; E657-V661 WeakPolarHBondContact O-CG2 3.46Å; E657-V661 PolarHBondContact O-N 2.72Å |
| 658 | E | 50.3 | Low | 47.2 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 64% | 0.64 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -57.9 | -40.1 | 178.2 | -62 | -179.6 | 136.6 | 0 | 0 | 112.6 | L660 V661 S662 | E658-L660 VanDerWaalsContact C-N 3.33Å; E658-L660 PolarHBondContact O-N 2.98Å; E658-V661 PolarHBondContact O-N 3.42Å; E658-S662 VanDerWaalsContact O-CB 3.3Å; E658-S662 WeakPolarHBondContact O-CB 3.44Å; E658-S662 PolarHBondContact O-N 2.71Å |
| 659 | N | 49.4 | Very low | 46.5 | Very low | 118 Ų | 118 | 120 Ų | 120 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.1 | -27.6 | 175.1 | -84.1 | -33 | 0 | 0 | 0 | 113.4 | E657 M663 | E657-N659 VanDerWaalsContact C-N 3.31Å; E657-N659 PolarHBondContact O-N 3.13Å; N659-M663 PolarHBondContact O-N 3.21Å |
| 660 | L | 52.8 | Low | 45.5 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 59% | 0.586 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79.8 | -39.2 | 173.9 | -77.1 | 169.4 | 0 | 0 | 0 | 111.7 | E657 E658 S662 M663 L664 | E657-L660 PolarHBondContact O-N 3.35Å; E658-L660 VanDerWaalsContact C-N 3.33Å; E658-L660 PolarHBondContact O-N 2.98Å; L660-S662 VanDerWaalsContact C-N 3.32Å; L660-S662 PolarHBondContact O-N 3.04Å; L660-M663 HydrophobicContact CD2-CE 4.2Å; L660-M663 PolarHBondContact O-N 3.41Å; L660-L664 PolarHBondContact O-N 3.48Å |
| 661 | V | 54.5 | Low | 45.7 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -61.5 | -41.1 | 172.1 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | E657 E658 M663 L664 G665 | E657-V661 WeakPolarHBondContact O-CG2 3.46Å; E657-V661 PolarHBondContact O-N 2.72Å; E658-V661 PolarHBondContact O-N 3.42Å; V661-M663 PolarHBondContact O-N 2.84Å; V661-L664 PolarHBondContact O-N 3.36Å; V661-G665 PolarHBondContact O-N 3.04Å |
| 662 | S | 51.5 | Low | 45.6 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65 | -35.3 | 176.9 | -165.2 | 0 | 0 | 0 | 0 | 113 | E658 L660 A666 | E658-S662 VanDerWaalsContact O-CB 3.3Å; E658-S662 WeakPolarHBondContact O-CB 3.44Å; E658-S662 PolarHBondContact O-N 2.71Å; L660-S662 VanDerWaalsContact C-N 3.32Å; L660-S662 PolarHBondContact O-N 3.04Å; S662-A666 PolarHBondContact O-N 3.08Å |
| 663 | M | 50.6 | Low | 45.6 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 59% | 0.591 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.2 | -36 | 170.7 | -71.3 | -152.1 | -55.6 | 0 | 0 | 113.1 | N659 L660 V661 G665 A666 | N659-M663 PolarHBondContact O-N 3.21Å; L660-M663 HydrophobicContact CD2-CE 4.2Å; L660-M663 PolarHBondContact O-N 3.41Å; V661-M663 PolarHBondContact O-N 2.84Å; M663-G665 VanDerWaalsContact C-N 3.34Å; M663-A666 PolarHBondContact O-N 3.38Å |
| 664 | L | 49.3 | Very low | 45.7 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.6 | -34.6 | 178.4 | -138 | 74 | 0 | 0 | 0 | 112.1 | L660 V661 A666 F667 | L660-L664 PolarHBondContact O-N 3.48Å; V661-L664 PolarHBondContact O-N 3.36Å; L664-A666 VanDerWaalsContact C-N 3.34Å; L664-F667 PolarHBondContact O-N 3.48Å |
| 665 | G | 44.7 | Very low | 45.7 | Very low | 44 Ų | 44 | 126.3 Ų | 126.3 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -61.5 | -39.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | V661 M663 F667 S668 | V661-G665 PolarHBondContact O-N 3.04Å; M663-G665 VanDerWaalsContact C-N 3.34Å; G665-F667 VanDerWaalsContact C-N 3.26Å; G665-F667 PolarHBondContact O-N 3.06Å; G665-S668 PolarHBondContact O-N 2.87Å; G665-S668 VanDerWaalsContact O-N 3.09Å |
| 666 | A | 44.8 | Very low | 45.3 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.1 | -29.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S662 M663 L664 S668 | S662-A666 PolarHBondContact O-N 3.08Å; M663-A666 PolarHBondContact O-N 3.38Å; L664-A666 VanDerWaalsContact C-N 3.34Å; A666-S668 VanDerWaalsContact C-N 3.32Å; A666-S668 PolarHBondContact O-N 3.37Å |
| 667 | F | 41.4 | Very low | 45 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 82% | 0.816 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -6.9 | 176.9 | -84.1 | -79.1 | 0 | 0 | 0 | 114.8 | L664 G665 | L664-F667 PolarHBondContact O-N 3.48Å; G665-F667 VanDerWaalsContact C-N 3.26Å; G665-F667 PolarHBondContact O-N 3.06Å |
| 668 | S | 47.1 | Very low | 44.9 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -11 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 113.6 | G665 A666 D670 | G665-S668 PolarHBondContact O-N 2.87Å; G665-S668 VanDerWaalsContact O-N 3.09Å; A666-S668 VanDerWaalsContact C-N 3.32Å; A666-S668 PolarHBondContact O-N 3.37Å; S668-D670 PolarHBondContact O-N 3.18Å |
| 669 | Q | 40.9 | Very low | 44.4 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 76% | 0.757 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 26.2 | -171.5 | -150.1 | -178.5 | 2.8 | 0 | 0 | 114.9 | ||
| 670 | D | 38.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 26.7 | 177.8 | -146.5 | 27.9 | 0 | 0 | 0 | 113.7 | S668 | S668-D670 PolarHBondContact O-N 3.18Š|
| 671 | K | 41.6 | Very low | 44 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -105.2 | -19.3 | 171.3 | -78.3 | -172 | 171.6 | -178.1 | 0 | 114.9 | K673 | K671-K673 VanDerWaalsContact C-N 3.28Å; K671-K673 PolarHBondContact O-N 2.98Å |
| 672 | D | 39.4 | Very low | 43.3 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 2.7 | 179.7 | -63 | -38.9 | 0 | 0 | 0 | 114.1 | ||
| 673 | K | 42.2 | Very low | 43.1 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -0.4 | 174.1 | -73.9 | 179.2 | -177.3 | 164.1 | 0 | 114.7 | K671 | K671-K673 VanDerWaalsContact C-N 3.28Å; K671-K673 PolarHBondContact O-N 2.98Å |
| 674 | L | 42.4 | Very low | 43.8 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -106.1 | 4.6 | 177.7 | -165.4 | 53.1 | 0 | 0 | 0 | 113.5 | ||
| 675 | V | 43 | Very low | 44.6 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -105.4 | -17.4 | -178.8 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | L677 | V675-L677 VanDerWaalsContact C-N 3.33Å; V675-L677 PolarHBondContact O-N 3.44Å |
| 676 | H | 35.9 | Very low | 45.9 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -93.8 | 38.3 | 176.6 | -92.5 | -70.5 | 0 | 0 | 0 | 114.3 | ||
| 677 | L | 39.9 | Very low | 47.3 | Very low | 156 Ų | 156 | 118.9 Ų | 118.9 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -123.9 | 45.3 | 165.2 | -84.3 | 171.1 | 0 | 0 | 0 | 110.9 | V675 | V675-L677 VanDerWaalsContact C-N 3.33Å; V675-L677 PolarHBondContact O-N 3.44Å |
| 678 | S | 42.3 | Very low | 49.2 | Very low | 104 Ų | 104 | 112.7 Ų | 112.7 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -135.2 | 134.1 | 170.7 | -75.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 679 | S | 40.4 | Very low | 50.9 | Low | 132 Ų | 132 | 108.9 Ų | 108.9 | 92% | 0.923 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 65 | 50.9 | 172.6 | -164.5 | 0 | 0 | 0 | 0 | 117.5 | ||
| 680 | A | 45.3 | Very low | 52.9 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 87% | 0.868 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -147.7 | 112.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 681 | G | 47.8 | Very low | 55.1 | Low | 76 Ų | 76 | 104.6 Ų | 104.6 | 78% | 0.784 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 101.9 | 127.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 682 | S | 40.7 | Very low | 57.2 | Low | 122 Ų | 122 | 98.2 Ų | 98.2 | 85% | 0.853 | 58% | 0.578 | S | S | * | * | trans | 57.3 | 94.4 | -176.6 | -155.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 683 | M | 45.9 | Very low | 59.3 | Low | 100 Ų | 100 | 96 Ų | 96 | 49% | 0.493 | 56% | 0.564 | S | S | . | * | trans | -69.5 | 140.4 | 148.2 | -75.7 | -173.4 | 63 | 0 | 0 | 107.6 | D687 K691 | M683-D687 HydrophobicContact CB-CB 4.32Å; M683-D687 HydrophobicContact CE-CB 3.59Å; M683-K691 HydrophobicContact CE-CD 3.92Å; M683-K691 HydrophobicContact SD-CD 4.35Å | ||
| 684 | S | 66.4 | Low | 61.4 | Low | 55 Ų | 55 | 91.3 Ų | 91.3 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | trans | -59.4 | 148.9 | 173.7 | 178.8 | 0 | 0 | 0 | 0 | 110 | V686 D687 E688 | S684-V686 PolarHBondContact O-N 2.94Å; S684-V686 PolarHBondContact OG-N 3.15Å; S684-D687 WeakPolarHBondContact CB-OD2 3.48Å; S684-D687 PolarHBondContact N-OD2 3.12Å; S684-D687 PolarHBondContact O-N 3.43Å; S684-E688 PolarHBondContact O-N 3.01Å | ||
| 685 | G | 65.6 | Low | 63.4 | Low | 31 Ų | 31 | 88 Ų | 88 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56 | -24.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L689 | G685-L689 WeakPolarHBondContact O-CB 3.47Å; G685-L689 PolarHBondContact O-N 3.45Å |
| 686 | V | 72.1 | Confident | 65.4 | Low | 78 Ų | 78 | 83 Ų | 83 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.6 | -39.4 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | S684 L689 L690 | S684-V686 PolarHBondContact O-N 2.94Å; S684-V686 PolarHBondContact OG-N 3.15Å; V686-L689 PolarHBondContact O-N 3.38Å; V686-L690 HydrophobicContact CG1-CD1 4.05Å; V686-L690 HydrophobicContact CG1-CG 4.46Å; V686-L690 WeakPolarHBondContact O-CB 3.39Å; V686-L690 VanDerWaalsContact O-CG 3.25Å; V686-L690 WeakPolarHBondContact O-CG 3.34Å; V686-L690 PolarHBondContact O-N 3.16Å |
| 687 | D | 73.6 | Confident | 67.7 | Low | 76 Ų | 76 | 79.9 Ų | 79.9 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.7 | -42.1 | -178.6 | -57.5 | -38.7 | 0 | 0 | 0 | 111.5 | M683 S684 L689 L690 K691 | M683-D687 HydrophobicContact CB-CB 4.32Å; M683-D687 HydrophobicContact CE-CB 3.59Å; S684-D687 WeakPolarHBondContact CB-OD2 3.48Å; S684-D687 PolarHBondContact N-OD2 3.12Å; S684-D687 PolarHBondContact O-N 3.43Å; D687-L689 VanDerWaalsContact C-N 3.35Å; D687-L690 PolarHBondContact O-N 2.69Å; D687-K691 VanDerWaalsContact O-CB 3.25Å; D687-K691 WeakPolarHBondContact O-CB 3.39Å; D687-K691 PolarHBondContact O-N 2.98Å |
| 688 | E | 81.1 | Confident | 69.9 | Low | 56 Ų | 56 | 78 Ų | 78 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 176.5 | -166.6 | 60.5 | -130.7 | 0 | 0 | 111.1 | S684 K691 E692 | S684-E688 PolarHBondContact O-N 3.01Å; E688-K691 PolarHBondContact O-N 3.42Å; E688-K691 WeakPolarHBondContact OE1-CD 3.41Å; E688-K691 WeakPolarHBondContact OE1-CE 3.38Å; E688-K691 IonicContact OE1-NZ 2.65Å; E688-K691 PolarHBondContact OE1-NZ 3.28Å; E688-K691 IonicContact OE2-NZ 3.67Å; E688-K691 PolarHBondContact OE2-NZ 2.87Å; E688-E692 PolarHBondContact O-N 3.18Å |
| 689 | L | 83.1 | Confident | 71.8 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.073 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 170.8 | 176.9 | 65.3 | 0 | 0 | 0 | 111.9 | G685 V686 D687 K691 E692 M693 K748 L749 V752 | G685-L689 WeakPolarHBondContact O-CB 3.47Å; G685-L689 PolarHBondContact O-N 3.45Å; V686-L689 PolarHBondContact O-N 3.38Å; D687-L689 VanDerWaalsContact C-N 3.35Å; L689-K691 VanDerWaalsContact C-N 3.3Å; L689-K691 PolarHBondContact O-N 3.49Å; L689-E692 PolarHBondContact O-N 3.42Å; L689-M693 HydrophobicContact CD1-CG 4.2Å; L689-M693 HydrophobicContact CD1-SD 4.16Å; L689-M693 HydrophobicContact CG-CG 4.48Å; L689-M693 HydrophobicContact CG-SD 4.09Å; L689-M693 WeakPolarHBondContact O-CB 3.43Å; L689-M693 VanDerWaalsContact O-CG 3.26Å; L689-M693 WeakPolarHBondContact O-CG 3.42Å; L689-M693 PolarHBondContact O-N 3.05Å; L689-K748 HydrophobicContact CD1-CB 3.73Å; L689-K748 HydrophobicContact CD2-CB 3.63Å; L689-K748 HydrophobicContact CD2-CD 3.79Å; L689-K748 HydrophobicContact CD2-CG 4.37Å; L689-K748 HydrophobicContact CG-CB 4.36Å; L689-L749 HydrophobicContact CB-CD1 4.05Å; L689-L749 HydrophobicContact CB-CG 4.28Å; L689-L749 HydrophobicContact CD1-CG 4.09Å; L689-V752 HydrophobicContact CD1-CG2 3.79Å |
| 690 | L | 82.6 | Confident | 73.8 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 178 | -76.2 | 169.2 | 0 | 0 | 0 | 111.7 | V686 D687 S694 | V686-L690 HydrophobicContact CG1-CD1 4.05Å; V686-L690 HydrophobicContact CG1-CG 4.46Å; V686-L690 WeakPolarHBondContact O-CB 3.39Å; V686-L690 VanDerWaalsContact O-CG 3.25Å; V686-L690 WeakPolarHBondContact O-CG 3.34Å; V686-L690 PolarHBondContact O-N 3.16Å; D687-L690 PolarHBondContact O-N 2.69Å; L690-S694 WeakPolarHBondContact O-CB 3.2Å; L690-S694 PolarHBondContact O-N 3.32Å |
| 691 | K | 85.4 | Confident | 75.7 | Confident | 89 Ų | 89 | 76.6 Ų | 76.6 | 39% | 0.387 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -53.2 | 175.6 | 173.3 | 178.6 | 162 | -139.3 | 0 | 111.6 | M683 D687 E688 L689 M693 S694 L695 | M683-K691 HydrophobicContact CE-CD 3.92Å; M683-K691 HydrophobicContact SD-CD 4.35Å; D687-K691 VanDerWaalsContact O-CB 3.25Å; D687-K691 WeakPolarHBondContact O-CB 3.39Å; D687-K691 PolarHBondContact O-N 2.98Å; E688-K691 PolarHBondContact O-N 3.42Å; E688-K691 WeakPolarHBondContact OE1-CD 3.41Å; E688-K691 WeakPolarHBondContact OE1-CE 3.38Å; E688-K691 IonicContact OE1-NZ 2.65Å; E688-K691 PolarHBondContact OE1-NZ 3.28Å; E688-K691 IonicContact OE2-NZ 3.67Å; E688-K691 PolarHBondContact OE2-NZ 2.87Å; L689-K691 VanDerWaalsContact C-N 3.3Å; L689-K691 PolarHBondContact O-N 3.49Å; K691-M693 PolarHBondContact O-N 2.87Å; K691-S694 PolarHBondContact O-N 3.44Å; K691-S694 PolarHBondContact O-OG 2.9Å; K691-L695 PolarHBondContact O-N 3.48Å; K691-L695 VanDerWaalsContact O-N 3.08Å |
| 692 | E | 85.3 | Confident | 77.1 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.3 | -84.4 | -69.5 | 141 | 0 | 0 | 113.1 | E688 L689 S694 L695 C696 V752 K756 | E688-E692 PolarHBondContact O-N 3.18Å; L689-E692 PolarHBondContact O-N 3.42Å; E692-S694 VanDerWaalsContact C-N 3.35Å; E692-S694 PolarHBondContact O-N 2.93Å; E692-L695 PolarHBondContact O-N 3.24Å; E692-C696 PolarHBondContact O-N 3.28Å; E692-C696 PolarHBondContact O-SG 2.97Å; E692-V752 HydrophobicContact CB-CG1 3.89Å; E692-K756 IonicContact OE1-NZ 2.61Å; E692-K756 PolarHBondContact OE1-NZ 2.73Å; E692-K756 WeakPolarHBondContact OE2-CD 3.25Å; E692-K756 WeakPolarHBondContact OE2-CE 3.32Å; E692-K756 IonicContact OE2-NZ 3.76Å; E692-K756 PolarHBondContact OE2-NZ 3.2Å |
| 693 | M | 84 | Confident | 78.9 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 170.8 | -74.5 | -176.2 | 70.8 | 0 | 0 | 112.1 | L689 K691 L695 C696 L697 V752 | L689-M693 HydrophobicContact CD1-CG 4.2Å; L689-M693 HydrophobicContact CD1-SD 4.16Å; L689-M693 HydrophobicContact CG-CG 4.48Å; L689-M693 HydrophobicContact CG-SD 4.09Å; L689-M693 WeakPolarHBondContact O-CB 3.43Å; L689-M693 VanDerWaalsContact O-CG 3.26Å; L689-M693 WeakPolarHBondContact O-CG 3.42Å; L689-M693 PolarHBondContact O-N 3.05Å; K691-M693 PolarHBondContact O-N 2.87Å; M693-L695 VanDerWaalsContact C-N 3.34Å; M693-L695 PolarHBondContact O-N 2.91Å; M693-C696 PolarHBondContact O-N 3.25Å; M693-L697 WeakPolarHBondContact O-CB 3.18Å; M693-L697 WeakPolarHBondContact O-CG 3.32Å; M693-L697 PolarHBondContact O-N 3.47Å; M693-V752 HydrophobicContact CG-CG1 4.43Å; M693-V752 HydrophobicContact CG-CG2 3.52Å; M693-V752 HydrophobicContact SD-CG2 4.42Å |
| 694 | S | 85.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 179.1 | 78.6 | 0 | 0 | 0 | 0 | 112.6 | L690 K691 E692 L697 L698 | L690-S694 WeakPolarHBondContact O-CB 3.2Å; L690-S694 PolarHBondContact O-N 3.32Å; K691-S694 PolarHBondContact O-N 3.44Å; K691-S694 PolarHBondContact O-OG 2.9Å; E692-S694 VanDerWaalsContact C-N 3.35Å; E692-S694 PolarHBondContact O-N 2.93Å; S694-L697 PolarHBondContact O-N 3.43Å; S694-L698 WeakPolarHBondContact O-CB 3.49Å; S694-L698 PolarHBondContact O-N 3.36Å |
| 695 | L | 84.3 | Confident | 81 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -47.7 | 174 | -72.2 | 165.6 | 0 | 0 | 0 | 111.1 | K691 E692 M693 L697 L698 D699 | K691-L695 PolarHBondContact O-N 3.48Å; K691-L695 VanDerWaalsContact O-N 3.08Å; E692-L695 PolarHBondContact O-N 3.24Å; M693-L695 VanDerWaalsContact C-N 3.34Å; M693-L695 PolarHBondContact O-N 2.91Å; L695-L697 VanDerWaalsContact C-N 3.3Å; L695-L697 PolarHBondContact O-N 3.1Å; L695-L698 WeakPolarHBondContact O-CB 3.25Å; L695-L698 PolarHBondContact O-N 3.34Å; L695-L698 VanDerWaalsContact O-N 3.16Å; L695-D699 PolarHBondContact O-N 3.41Å |
| 696 | C | 85.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 177 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | E692 M693 L700 L755 I759 | E692-C696 PolarHBondContact O-N 3.28Å; E692-C696 PolarHBondContact O-SG 2.97Å; M693-C696 PolarHBondContact O-N 3.25Å; C696-L700 WeakPolarHBondContact O-CB 3.42Å; C696-L700 WeakPolarHBondContact O-CG 3.47Å; C696-L700 PolarHBondContact O-N 2.95Å; C696-L755 HydrophobicContact CB-CD2 3.98Å; C696-L755 HydrophobicContact CB-CG 4.42Å; C696-I759 HydrophobicContact CB-CD1 3.91Å |
| 697 | L | 85.6 | Confident | 81.9 | Confident | 111 Ų | 111 | 66.2 Ų | 66.2 | 58% | 0.581 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.3 | -35.3 | 174.9 | -74 | 170.5 | 0 | 0 | 0 | 112.8 | M693 S694 L695 R701 | M693-L697 WeakPolarHBondContact O-CB 3.18Å; M693-L697 WeakPolarHBondContact O-CG 3.32Å; M693-L697 PolarHBondContact O-N 3.47Å; S694-L697 PolarHBondContact O-N 3.43Å; L695-L697 VanDerWaalsContact C-N 3.3Å; L695-L697 PolarHBondContact O-N 3.1Å; L697-R701 VanDerWaalsContact O-CB 3.27Å; L697-R701 WeakPolarHBondContact O-CB 3.36Å; L697-R701 PolarHBondContact O-N 3.06Å |
| 698 | L | 84.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66 | -46.1 | 175.4 | -176.8 | 62.6 | 0 | 0 | 0 | 111.2 | S694 L695 R701 G702 | S694-L698 WeakPolarHBondContact O-CB 3.49Å; S694-L698 PolarHBondContact O-N 3.36Å; L695-L698 WeakPolarHBondContact O-CB 3.25Å; L695-L698 PolarHBondContact O-N 3.34Å; L695-L698 VanDerWaalsContact O-N 3.16Å; L698-R701 PolarHBondContact O-N 2.93Å; L698-G702 PolarHBondContact O-N 3.23Å |
| 699 | D | 82.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -51 | 175.4 | -94.8 | 19.4 | 0 | 0 | 0 | 111.6 | L695 R701 G702 F703 I759 R763 | L695-D699 PolarHBondContact O-N 3.41Å; D699-R701 VanDerWaalsContact C-N 3.27Å; D699-R701 PolarHBondContact O-N 3.3Å; D699-G702 CarbonylContact O-C 3.58Å; D699-G702 VanDerWaalsContact O-CA 3.31Å; D699-G702 WeakPolarHBondContact O-CA 3.49Å; D699-G702 PolarHBondContact O-N 3.39Å; D699-F703 VanDerWaalsContact O-CD2 3.24Å; D699-F703 WeakPolarHBondContact O-CD2 3.48Å; D699-F703 PolarHBondContact O-N 3.1Å; D699-I759 HydrophobicContact CB-CG2 4.01Å; D699-R763 IonicContact OD1-NH2 3.57Å; D699-R763 IonicContact OD2-CZ 2.73Å; D699-R763 IonicContact OD2-NH1 2.67Å; D699-R763 PolarHBondContact OD2-NH1 3.16Å; D699-R763 IonicContact OD2-NH2 3.17Å; D699-R763 PolarHBondContact OD2-NH2 3.35Å |
| 700 | L | 84.1 | Confident | 81.5 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -39.1 | 176.7 | -77.9 | 168.5 | 0 | 0 | 0 | 112.2 | C696 G702 F703 C704 L755 I759 | C696-L700 WeakPolarHBondContact O-CB 3.42Å; C696-L700 WeakPolarHBondContact O-CG 3.47Å; C696-L700 PolarHBondContact O-N 2.95Å; L700-G702 VanDerWaalsContact C-N 3.31Å; L700-G702 PolarHBondContact O-N 3.27Å; L700-F703 PolarHBondContact O-N 2.87Å; L700-C704 PolarHBondContact O-N 3.12Å; L700-C704 PolarHBondContact O-SG 2.85Å; L700-C704 VanDerWaalsContact O-SG 3.35Å; L700-L755 HydrophobicContact CD1-CD1 4.45Å; L700-I759 HydrophobicContact CD1-CD1 4.04Å; L700-I759 HydrophobicContact CD1-CG1 4.47Å; L700-I759 HydrophobicContact CD2-CD1 4.23Å; L700-I759 HydrophobicContact CD2-CG1 3.84Å; L700-I759 HydrophobicContact CG-CD1 3.72Å; L700-I759 HydrophobicContact CG-CG1 3.92Å |
| 701 | R | 83.3 | Confident | 81.1 | Confident | 199 Ų | 199 | 68.6 Ų | 68.6 | 75% | 0.751 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.9 | -35.9 | 174.2 | -173.4 | 175.9 | -178.5 | 173.7 | 0.5 | 111.9 | L697 L698 D699 S705 | L697-R701 VanDerWaalsContact O-CB 3.27Å; L697-R701 WeakPolarHBondContact O-CB 3.36Å; L697-R701 PolarHBondContact O-N 3.06Å; L698-R701 PolarHBondContact O-N 2.93Å; D699-R701 VanDerWaalsContact C-N 3.27Å; D699-R701 PolarHBondContact O-N 3.3Å; R701-S705 WeakPolarHBondContact O-CB 3.47Å; R701-S705 PolarHBondContact O-N 3.09Å |
| 702 | G | 78.7 | Confident | 80.7 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | L698 D699 L700 S705 I706 | L698-G702 PolarHBondContact O-N 3.23Å; D699-G702 CarbonylContact O-C 3.58Å; D699-G702 VanDerWaalsContact O-CA 3.31Å; D699-G702 WeakPolarHBondContact O-CA 3.49Å; D699-G702 PolarHBondContact O-N 3.39Å; L700-G702 VanDerWaalsContact C-N 3.31Å; L700-G702 PolarHBondContact O-N 3.27Å; G702-S705 WeakPolarHBondContact O-CB 3.5Å; G702-S705 PolarHBondContact O-N 3.34Å; G702-S705 VanDerWaalsContact O-N 3.17Å; G702-I706 WeakPolarHBondContact O-CG1 3.41Å; G702-I706 PolarHBondContact O-N 3.41Å |
| 703 | F | 77.4 | Confident | 80 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 176.4 | -80.7 | -73.3 | 0 | 0 | 0 | 113.2 | D699 L700 S705 I706 L707 L721 I759 R763 | D699-F703 VanDerWaalsContact O-CD2 3.24Å; D699-F703 WeakPolarHBondContact O-CD2 3.48Å; D699-F703 PolarHBondContact O-N 3.1Å; L700-F703 PolarHBondContact O-N 2.87Å; F703-S705 PolarHBondContact O-N 2.94Å; F703-I706 PolarHBondContact O-N 3.26Å; F703-L707 WeakPolarHBondContact O-CB 3.32Å; F703-L707 WeakPolarHBondContact O-CG 3.34Å; F703-L707 PolarHBondContact O-N 2.84Å; F703-L721 HydrophobicContact CE1-CD1 3.64Å; F703-L721 HydrophobicContact CZ-CD1 4.3Å; F703-I759 HydrophobicContact CD2-CG2 4.02Å; F703-I759 HydrophobicContact CE2-CG2 3.59Å; F703-R763 HydrophobicContact CE1-CB 4.18Å; F703-R763 HydrophobicContact CE1-CG 4.49Å; F703-R763 HydrophobicContact CZ-CB 3.56Å; F703-R763 HydrophobicContact CZ-CG 3.84Å |
| 704 | C | 79.2 | Confident | 79.5 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.3 | -35.3 | 176.1 | -69 | 0 | 0 | 0 | 0 | 112.1 | L700 A708 | L700-C704 PolarHBondContact O-N 3.12Å; L700-C704 PolarHBondContact O-SG 2.85Å; L700-C704 VanDerWaalsContact O-SG 3.35Å; C704-A708 WeakPolarHBondContact O-CB 3.48Å; C704-A708 PolarHBondContact O-N 3.36Å |
| 705 | S | 78.4 | Confident | 78.7 | Confident | 53 Ų | 53 | 79.1 Ų | 79.1 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 173.8 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | R701 G702 F703 L707 A708 Q709 | R701-S705 WeakPolarHBondContact O-CB 3.47Å; R701-S705 PolarHBondContact O-N 3.09Å; G702-S705 WeakPolarHBondContact O-CB 3.5Å; G702-S705 PolarHBondContact O-N 3.34Å; G702-S705 VanDerWaalsContact O-N 3.17Å; F703-S705 PolarHBondContact O-N 2.94Å; S705-L707 PolarHBondContact O-N 2.8Å; S705-A708 PolarHBondContact O-N 3.28Å; S705-Q709 WeakPolarHBondContact O-CB 3.5Å; S705-Q709 VanDerWaalsContact O-CG 3.28Å; S705-Q709 WeakPolarHBondContact O-CG 3.5Å; S705-Q709 PolarHBondContact O-N 3.17Å |
| 706 | I | 77.6 | Confident | 77.9 | Confident | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.1 | -69.9 | 166.4 | 0 | 0 | 0 | 110.9 | G702 F703 Q709 R710 P716 L720 L721 | G702-I706 WeakPolarHBondContact O-CG1 3.41Å; G702-I706 PolarHBondContact O-N 3.41Å; F703-I706 PolarHBondContact O-N 3.26Å; I706-Q709 PolarHBondContact O-N 2.87Å; I706-R710 WeakPolarHBondContact O-CB 3.38Å; I706-R710 PolarHBondContact O-N 3Å; I706-P716 HydrophobicContact CB-CB 4.49Å; I706-P716 HydrophobicContact CG2-CB 3.96Å; I706-P716 HydrophobicContact CG2-CG 4.35Å; I706-L720 HydrophobicContact CD1-CB 3.9Å; I706-L721 HydrophobicContact CD1-CB 4.34Å |
| 707 | L | 77.6 | Confident | 76.7 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | -179.7 | -67.8 | 172.6 | 0 | 0 | 0 | 111.6 | F703 S705 R710 A711 | F703-L707 WeakPolarHBondContact O-CB 3.32Å; F703-L707 WeakPolarHBondContact O-CG 3.34Å; F703-L707 PolarHBondContact O-N 2.84Å; S705-L707 PolarHBondContact O-N 2.8Å; L707-R710 PolarHBondContact O-N 3.01Å; L707-A711 VanDerWaalsContact O-CB 3.27Å; L707-A711 WeakPolarHBondContact O-CB 3.15Å; L707-A711 PolarHBondContact O-N 2.73Å |
| 708 | A | 79 | Confident | 75.6 | Confident | 46 Ų | 46 | 79.7 Ų | 79.7 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C704 S705 Q712 | C704-A708 WeakPolarHBondContact O-CB 3.48Å; C704-A708 PolarHBondContact O-N 3.36Å; S705-A708 PolarHBondContact O-N 3.28Å; A708-Q712 WeakPolarHBondContact O-CB 3.26Å; A708-Q712 VanDerWaalsContact O-CG 3.26Å; A708-Q712 WeakPolarHBondContact O-CG 3.43Å; A708-Q712 PolarHBondContact O-N 2.7Å |
| 709 | Q | 76.3 | Confident | 74.5 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 26% | 0.262 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 174.1 | -74.4 | 172.8 | 3.4 | 0 | 0 | 111.1 | S705 I706 A711 Q712 G713 K714 P716 | S705-Q709 WeakPolarHBondContact O-CB 3.5Å; S705-Q709 VanDerWaalsContact O-CG 3.28Å; S705-Q709 WeakPolarHBondContact O-CG 3.5Å; S705-Q709 PolarHBondContact O-N 3.17Å; I706-Q709 PolarHBondContact O-N 2.87Å; Q709-A711 PolarHBondContact O-N 2.85Å; Q709-Q712 CarbonylContact O-C 3.56Å; Q709-Q712 WeakPolarHBondContact O-CA 3.43Å; Q709-Q712 PolarHBondContact O-N 2.69Å; Q709-Q712 VanDerWaalsContact O-N 3.09Å; Q709-G713 PolarHBondContact O-N 2.7Å; Q709-K714 CarbonylContact C-O 3.55Å; Q709-K714 HydrophobicContact CB-CB 4.48Å; Q709-K714 PolarHBondContact O-N 3.16Å; Q709-P716 HydrophobicContact CB-CB 4.41Å |
| 710 | R | 75.1 | Confident | 73.3 | Confident | 109 Ų | 109 | 80.2 Ų | 80.2 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.3 | -168.2 | 171 | 179.9 | 170.9 | -2.3 | 112.2 | I706 L707 Q712 G713 Y769 | I706-R710 WeakPolarHBondContact O-CB 3.38Å; I706-R710 PolarHBondContact O-N 3Å; L707-R710 PolarHBondContact O-N 3.01Å; R710-Q712 VanDerWaalsContact C-N 3.28Å; R710-Q712 PolarHBondContact O-N 2.83Å; R710-G713 PolarHBondContact O-N 3.07Å; R710-G713 VanDerWaalsContact O-N 3.1Å; R710-Y769 PolarHBondContact NH1-O 2.76Å; R710-Y769 PolarHBondContact NH2-O 3Å |
| 711 | A | 73.9 | Confident | 72.2 | Confident | 90 Ų | 90 | 78.2 Ų | 78.2 | 74% | 0.744 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.6 | -24.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L707 Q709 G713 | L707-A711 VanDerWaalsContact O-CB 3.27Å; L707-A711 WeakPolarHBondContact O-CB 3.15Å; L707-A711 PolarHBondContact O-N 2.73Å; Q709-A711 PolarHBondContact O-N 2.85Å; A711-G713 VanDerWaalsContact C-N 3.29Å |
| 712 | Q | 77.1 | Confident | 71 | Confident | 125 Ų | 125 | 75 Ų | 75 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 7.5 | 171.4 | -70.4 | 174.5 | 24.5 | 0 | 0 | 113.4 | A708 Q709 R710 K714 | A708-Q712 WeakPolarHBondContact O-CB 3.26Å; A708-Q712 VanDerWaalsContact O-CG 3.26Å; A708-Q712 WeakPolarHBondContact O-CG 3.43Å; A708-Q712 PolarHBondContact O-N 2.7Å; Q709-Q712 CarbonylContact O-C 3.56Å; Q709-Q712 WeakPolarHBondContact O-CA 3.43Å; Q709-Q712 PolarHBondContact O-N 2.69Å; Q709-Q712 VanDerWaalsContact O-N 3.09Å; R710-Q712 VanDerWaalsContact C-N 3.28Å; R710-Q712 PolarHBondContact O-N 2.83Å; Q712-K714 HydrophobicContact CB-CD 4.33Å; Q712-K714 PolarHBondContact O-N 2.68Å |
| 713 | G | 71.1 | Confident | 69.7 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 76% | 0.763 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 16.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q709 R710 A711 | Q709-G713 PolarHBondContact O-N 2.7Å; R710-G713 PolarHBondContact O-N 3.07Å; R710-G713 VanDerWaalsContact O-N 3.1Å; A711-G713 VanDerWaalsContact C-N 3.29Å |
| 714 | K | 72.8 | Confident | 68.5 | Low | 122 Ų | 122 | 83.9 Ų | 83.9 | 53% | 0.53 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 142.4 | 176.5 | -65 | 166.1 | -174.9 | 162.7 | 0 | 109.7 | Q709 Q712 P716 | Q709-K714 CarbonylContact C-O 3.55Å; Q709-K714 HydrophobicContact CB-CB 4.48Å; Q709-K714 PolarHBondContact O-N 3.16Å; Q712-K714 HydrophobicContact CB-CD 4.33Å; Q712-K714 PolarHBondContact O-N 2.68Å; K714-P716 WeakPolarHBondContact O-CD 3.43Å |
| 715 | E | 69.1 | Low | 67 | Low | 177 Ų | 177 | 90 Ų | 90 | 83% | 0.827 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 121.2 | 171.3 | -171.5 | 168.8 | -158 | 0 | 0 | 109.6 | ||
| 716 | P | 67.5 | Low | 65.1 | Low | 23 Ų | 23 | 92.4 Ų | 92.4 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 148.7 | -177.8 | 32.5 | -34.1 | 0 | 0 | 0 | 111.2 | I706 Q709 K714 L718 | I706-P716 HydrophobicContact CB-CB 4.49Å; I706-P716 HydrophobicContact CG2-CB 3.96Å; I706-P716 HydrophobicContact CG2-CG 4.35Å; Q709-P716 HydrophobicContact CB-CB 4.41Å; K714-P716 WeakPolarHBondContact O-CD 3.43Å; P716-L718 HydrophobicContact CG-CD2 4.35Å; P716-L718 PolarHBondContact O-N 3.03Å |
| 717 | N | 59.7 | Low | 62.9 | Low | 103 Ų | 103 | 100.2 Ų | 100.2 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | trans | -68.2 | 92.9 | 173.6 | -80.6 | -70.4 | 0 | 0 | 0 | 111.2 | S719 L720 | N717-S719 PolarHBondContact O-N 3.16Å; N717-L720 PolarHBondContact O-N 3.45Å; N717-L720 VanDerWaalsContact O-N 3.11Å | ||
| 718 | L | 63.3 | Low | 60.8 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 41% | 0.408 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | -178.1 | -65.5 | 175.9 | 0 | 0 | 0 | 114.1 | P716 L720 L721 L722 | P716-L718 HydrophobicContact CG-CD2 4.35Å; P716-L718 PolarHBondContact O-N 3.03Å; L718-L720 PolarHBondContact O-N 2.93Å; L718-L721 HydrophobicContact CD2-CD2 4.11Å; L718-L721 WeakPolarHBondContact O-CB 3.38Å; L718-L721 PolarHBondContact O-N 2.76Å; L718-L722 PolarHBondContact O-N 2.87Å |
| 719 | S | 61.7 | Low | 58.6 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -29.9 | 171.2 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | N717 | N717-S719 PolarHBondContact O-N 3.16Š|
| 720 | L | 57.3 | Low | 56.5 | Low | 97 Ų | 97 | 107.5 Ų | 107.5 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -28.4 | 172.8 | -79.1 | 159.4 | 0 | 0 | 0 | 112.9 | I706 N717 L718 | I706-L720 HydrophobicContact CD1-CB 3.9Å; N717-L720 PolarHBondContact O-N 3.45Å; N717-L720 VanDerWaalsContact O-N 3.11Å; L718-L720 PolarHBondContact O-N 2.93Å |
| 721 | L | 59.4 | Low | 54.6 | Low | 12 Ų | 12 | 107.4 Ų | 107.4 | 6% | 0.063 | 63% | 0.632 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -35.7 | 175.8 | -168.7 | 68.3 | 0 | 0 | 0 | 111.3 | F703 I706 L718 R763 V766 A767 | F703-L721 HydrophobicContact CE1-CD1 3.64Å; F703-L721 HydrophobicContact CZ-CD1 4.3Å; I706-L721 HydrophobicContact CD1-CB 4.34Å; L718-L721 HydrophobicContact CD2-CD2 4.11Å; L718-L721 WeakPolarHBondContact O-CB 3.38Å; L718-L721 PolarHBondContact O-N 2.76Å; L721-R763 HydrophobicContact CD1-CG 4.38Å; L721-R763 WeakPolarHBondContact O-CG 3.18Å; L721-V766 HydrophobicContact CD1-CB 4.14Å; L721-V766 HydrophobicContact CD1-CG1 3.8Å; L721-V766 HydrophobicContact CD2-CG1 4.21Å; L721-A767 HydrophobicContact CD2-CB 4.19Å |
| 722 | L | 59.7 | Low | 52.6 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -83.6 | -4.5 | -176.6 | -69.4 | 170.4 | 0 | 0 | 0 | 115 | L718 M724 | L718-L722 PolarHBondContact O-N 2.87Å; L722-M724 VanDerWaalsContact C-N 3.34Å; L722-M724 PolarHBondContact O-N 3.39Å |
| 723 | G | 51.1 | Low | 50.8 | Low | 35 Ų | 35 | 114.7 Ų | 114.7 | 36% | 0.361 | 65% | 0.651 | S | S | . | * | trans | 52.7 | 35.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | K725 | G723-K725 PolarHBondContact O-N 3.39Š| ||
| 724 | M | 50.8 | Low | 48.9 | Very low | 175 Ų | 175 | 119.7 Ų | 119.7 | 86% | 0.862 | 65% | 0.654 | S | S | * | * | trans | -72 | 67.7 | -176.2 | -71.1 | -173.9 | 70.3 | 0 | 0 | 114 | L722 | L722-M724 VanDerWaalsContact C-N 3.34Å; L722-M724 PolarHBondContact O-N 3.39Å | ||
| 725 | K | 49 | Very low | 47.2 | Very low | 211 Ų | 211 | 122.5 Ų | 122.5 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | trans | 170.5 | 94.1 | 147.3 | -94.9 | 158 | -175.5 | 178.7 | 0 | 111.3 | G723 | G723-K725 PolarHBondContact O-N 3.39Š| ||
| 726 | S | 37.1 | Very low | 45.5 | Very low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -137.6 | 125.5 | 150.5 | 53 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 727 | L | 31.5 | Very low | 43.9 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 88% | 0.88 | 69% | 0.692 | S | S | * | * | trans | -69.1 | 137.6 | -175.6 | -140.6 | 72.9 | 0 | 0 | 0 | 109.9 | V729 | L727-V729 PolarHBondContact O-N 2.79Å; L727-V729 VanDerWaalsContact O-N 3.11Å | ||
| 728 | S | 34.5 | Very low | 43.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | trans | -67 | 106.3 | 167.7 | 51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 729 | V | 33.3 | Very low | 41.7 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -68.5 | 129.3 | 159.1 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | L727 | L727-V729 PolarHBondContact O-N 2.79Å; L727-V729 VanDerWaalsContact O-N 3.11Å | ||
| 730 | S | 31.4 | Very low | 40.9 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | trans | -63.9 | 146.6 | -171.8 | -160 | 0 | 0 | 0 | 0 | 111.8 | E732 | S730-E732 VanDerWaalsContact C-N 3.33Å; S730-E732 PolarHBondContact O-N 3.18Å | ||
| 731 | A | 35.8 | Very low | 40.2 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 88% | 0.884 | 75% | 0.753 | S | S | * | * | trans | -83.7 | 82.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 732 | E | 31.4 | Very low | 39.6 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -121.4 | 146.9 | 166.1 | -71.4 | -173.3 | 159.9 | 0 | 0 | 109.6 | S730 | S730-E732 VanDerWaalsContact C-N 3.33Å; S730-E732 PolarHBondContact O-N 3.18Å | ||
| 733 | E | 40.4 | Very low | 39.3 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -81.2 | 132.5 | -169.1 | -62.8 | 161.5 | 135.4 | 0 | 0 | 110.5 | ||||
| 734 | Q | 30.3 | Very low | 39.7 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -137.2 | 80 | 166.1 | -166 | 149.1 | 43.4 | 0 | 0 | 110.8 | H736 | Q734-H736 PolarHBondContact O-N 2.85Š| ||
| 735 | E | 36.9 | Very low | 40.1 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -55.7 | 128.2 | 148.5 | -66.7 | -169.1 | 119.3 | 0 | 0 | 108.3 | ||||
| 736 | H | 33.9 | Very low | 40.8 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | -163.2 | 101.6 | 141.8 | -109 | -74.6 | 0 | 0 | 0 | 111.1 | Q734 | Q734-H736 PolarHBondContact O-N 2.85Š| ||
| 737 | Q | 33.8 | Very low | 42.6 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 55.5 | 130.6 | 136.5 | -65 | 168.3 | -1.9 | 0 | 0 | 120.6 | A739 | Q737-A739 PolarHBondContact O-N 3.44Š| ||
| 738 | L | 44.3 | Very low | 44.9 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 93% | 0.927 | 70% | 0.702 | S | S | * | * | trans | -51.5 | 124.4 | 168.2 | -70.6 | 151.2 | 0 | 0 | 0 | 112.6 | ||||
| 739 | A | 33.2 | Very low | 47 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 68% | 0.679 | S | S | * | * | trans | -137.2 | 111.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q737 G741 | Q737-A739 PolarHBondContact O-N 3.44Å; A739-G741 PolarHBondContact O-N 3.47Å | ||
| 740 | E | 44 | Very low | 49.2 | Very low | 202 Ų | 202 | 125.3 Ų | 125.3 | 94% | 0.944 | 67% | 0.67 | S | S | * | * | trans | -70.6 | 126.7 | -178.8 | -65.3 | -178.4 | 129.8 | 0 | 0 | 110.7 | ||||
| 741 | G | 42.3 | Very low | 51.6 | Low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 125.5 | 57.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | A739 | A739-G741 PolarHBondContact O-N 3.47Š|
| 742 | E | 47.3 | Very low | 53.9 | Low | 158 Ų | 158 | 122.5 Ų | 122.5 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | trans | -178 | 56.3 | 149.9 | -90.9 | -100.3 | 148.6 | 0 | 0 | 109.8 | S746 | E742-S746 PolarHBondContact O-OG 3.04Š| ||
| 743 | E | 52.5 | Low | 56.1 | Low | 159 Ų | 159 | 116.3 Ų | 116.3 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.1 | -20.6 | -171.8 | -71.1 | -150.8 | 137.4 | 0 | 0 | 115.8 | S746 S747 | E743-S746 PolarHBondContact O-OG 2.85Å; E743-S746 VanDerWaalsContact O-OG 3.12Å; E743-S747 WeakPolarHBondContact O-CB 3.34Å; E743-S747 PolarHBondContact O-N 3.35Å; E743-S747 VanDerWaalsContact O-N 3.1Å |
| 744 | E | 60 | Low | 58.2 | Low | 137 Ų | 137 | 112.1 Ų | 112.1 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.4 | -41.8 | -169.1 | -144.1 | -167.3 | 155.2 | 0 | 0 | 115.4 | K748 | E744-K748 VanDerWaalsContact CD-NZ 3.31Å; E744-K748 VanDerWaalsContact O-CD 3.28Å; E744-K748 WeakPolarHBondContact O-CD 3.37Å; E744-K748 VanDerWaalsContact O-CG 3.25Å; E744-K748 WeakPolarHBondContact O-CG 3.42Å; E744-K748 WeakPolarHBondContact OE1-CE 3.42Å; E744-K748 IonicContact OE1-NZ 3.65Å; E744-K748 PolarHBondContact OE1-NZ 2.78Å |
| 745 | P | 59.3 | Low | 60.8 | Low | 19 Ų | 19 | 107.4 Ų | 107.4 | 12% | 0.123 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -76.4 | -38.6 | 177.3 | 28.3 | -31.7 | 0 | 0 | 0 | 112.3 | K748 L749 | P745-K748 PolarHBondContact O-N 3.28Å; P745-L749 PolarHBondContact O-N 3.11Å |
| 746 | S | 64.4 | Low | 63.1 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | E742 E743 K748 L749 L750 | E742-S746 PolarHBondContact O-OG 3.04Å; E743-S746 PolarHBondContact O-OG 2.85Å; E743-S746 VanDerWaalsContact O-OG 3.12Å; S746-K748 VanDerWaalsContact C-N 3.3Å; S746-K748 PolarHBondContact O-N 3.38Å; S746-L749 WeakPolarHBondContact O-CB 3.33Å; S746-L749 PolarHBondContact O-N 3.23Å; S746-L750 PolarHBondContact O-N 3.45Å; S746-L750 VanDerWaalsContact O-N 3.16Å |
| 747 | S | 74.3 | Confident | 65.4 | Low | 58 Ų | 58 | 103.1 Ų | 103.1 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | E743 Q751 | E743-S747 WeakPolarHBondContact O-CB 3.34Å; E743-S747 PolarHBondContact O-N 3.35Å; E743-S747 VanDerWaalsContact O-N 3.1Å; S747-Q751 PolarHBondContact O-N 2.75Å |
| 748 | K | 78.5 | Confident | 67.7 | Low | 82 Ų | 82 | 97 Ų | 97 | 36% | 0.357 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.8 | -37.9 | 174.8 | -70 | 171.7 | -170.8 | 166.7 | 0 | 112.3 | L689 E744 P745 S746 L750 Q751 V752 | L689-K748 HydrophobicContact CD1-CB 3.73Å; L689-K748 HydrophobicContact CD2-CB 3.63Å; L689-K748 HydrophobicContact CD2-CD 3.79Å; L689-K748 HydrophobicContact CD2-CG 4.37Å; L689-K748 HydrophobicContact CG-CB 4.36Å; E744-K748 VanDerWaalsContact CD-NZ 3.31Å; E744-K748 VanDerWaalsContact O-CD 3.28Å; E744-K748 WeakPolarHBondContact O-CD 3.37Å; E744-K748 VanDerWaalsContact O-CG 3.25Å; E744-K748 WeakPolarHBondContact O-CG 3.42Å; E744-K748 WeakPolarHBondContact OE1-CE 3.42Å; E744-K748 IonicContact OE1-NZ 3.65Å; E744-K748 PolarHBondContact OE1-NZ 2.78Å; P745-K748 PolarHBondContact O-N 3.28Å; S746-K748 VanDerWaalsContact C-N 3.3Å; S746-K748 PolarHBondContact O-N 3.38Å; K748-L750 VanDerWaalsContact C-N 3.3Å; K748-L750 PolarHBondContact O-N 2.81Å; K748-Q751 WeakPolarHBondContact O-CB 3.19Å; K748-Q751 PolarHBondContact O-N 3.38Å; K748-Q751 VanDerWaalsContact O-N 3.1Å; K748-V752 WeakPolarHBondContact O-CG2 3.26Å; K748-V752 PolarHBondContact O-N 3.45Å |
| 749 | L | 79.4 | Confident | 69.5 | Low | 57 Ų | 57 | 88.8 Ų | 88.8 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 174.9 | -105 | 136.7 | 0 | 0 | 0 | 111.7 | L689 P745 S746 Q751 V752 G753 | L689-L749 HydrophobicContact CB-CD1 4.05Å; L689-L749 HydrophobicContact CB-CG 4.28Å; L689-L749 HydrophobicContact CD1-CG 4.09Å; P745-L749 PolarHBondContact O-N 3.11Å; S746-L749 WeakPolarHBondContact O-CB 3.33Å; S746-L749 PolarHBondContact O-N 3.23Å; L749-Q751 PolarHBondContact O-N 2.93Å; L749-V752 PolarHBondContact O-N 2.82Å; L749-G753 PolarHBondContact O-N 3.44Å |
| 750 | L | 79.9 | Confident | 71.7 | Confident | 129 Ų | 129 | 87.3 Ų | 87.3 | 68% | 0.675 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 172.4 | -73.4 | 167.8 | 0 | 0 | 0 | 112.6 | S746 K748 G753 L754 | S746-L750 PolarHBondContact O-N 3.45Å; S746-L750 VanDerWaalsContact O-N 3.16Å; K748-L750 VanDerWaalsContact C-N 3.3Å; K748-L750 PolarHBondContact O-N 2.81Å; L750-G753 PolarHBondContact O-N 2.75Å; L750-L754 PolarHBondContact O-N 3.35Å |
| 751 | Q | 81.3 | Confident | 73.5 | Confident | 120 Ų | 120 | 80.8 Ų | 80.8 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.5 | -35.6 | 175.7 | -67 | 175 | 46.5 | 0 | 0 | 112.4 | S747 K748 L749 L754 L755 | S747-Q751 PolarHBondContact O-N 2.75Å; K748-Q751 WeakPolarHBondContact O-CB 3.19Å; K748-Q751 PolarHBondContact O-N 3.38Å; K748-Q751 VanDerWaalsContact O-N 3.1Å; L749-Q751 PolarHBondContact O-N 2.93Å; Q751-L754 PolarHBondContact O-N 2.87Å; Q751-L755 PolarHBondContact O-N 3.42Å |
| 752 | V | 84.4 | Confident | 75.2 | Confident | 12 Ų | 12 | 81 Ų | 81 | 7% | 0.073 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | L689 E692 M693 K748 L749 L754 L755 K756 | L689-V752 HydrophobicContact CD1-CG2 3.79Å; E692-V752 HydrophobicContact CB-CG1 3.89Å; M693-V752 HydrophobicContact CG-CG1 4.43Å; M693-V752 HydrophobicContact CG-CG2 3.52Å; M693-V752 HydrophobicContact SD-CG2 4.42Å; K748-V752 WeakPolarHBondContact O-CG2 3.26Å; K748-V752 PolarHBondContact O-N 3.45Å; L749-V752 PolarHBondContact O-N 2.82Å; V752-L754 VanDerWaalsContact C-N 3.32Å; V752-L754 PolarHBondContact O-N 3.26Å; V752-L755 WeakPolarHBondContact O-CB 3.45Å; V752-L755 PolarHBondContact O-N 2.96Å; V752-K756 WeakPolarHBondContact O-CB 3.42Å; V752-K756 PolarHBondContact O-N 2.68Å |
| 753 | G | 78.4 | Confident | 76.8 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L749 L750 R757 | L749-G753 PolarHBondContact O-N 3.44Å; L750-G753 PolarHBondContact O-N 2.75Å; G753-R757 PolarHBondContact O-N 3.27Å; G753-R757 VanDerWaalsContact O-N 3.16Å |
| 754 | L | 83.6 | Confident | 77.9 | Confident | 112 Ų | 112 | 74 Ų | 74 | 59% | 0.586 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.9 | -39.8 | 171.9 | -68.7 | 174.1 | 0 | 0 | 0 | 112.3 | L750 Q751 V752 R757 G758 | L750-L754 PolarHBondContact O-N 3.35Å; Q751-L754 PolarHBondContact O-N 2.87Å; V752-L754 VanDerWaalsContact C-N 3.32Å; V752-L754 PolarHBondContact O-N 3.26Å; L754-R757 PolarHBondContact O-N 3.39Å; L754-G758 PolarHBondContact O-N 2.91Å |
| 755 | L | 85 | Confident | 78.6 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.3 | 178.7 | 62.4 | 0 | 0 | 0 | 111.4 | C696 L700 Q751 V752 R757 G758 I759 | C696-L755 HydrophobicContact CB-CD2 3.98Å; C696-L755 HydrophobicContact CB-CG 4.42Å; L700-L755 HydrophobicContact CD1-CD1 4.45Å; Q751-L755 PolarHBondContact O-N 3.42Å; V752-L755 WeakPolarHBondContact O-CB 3.45Å; V752-L755 PolarHBondContact O-N 2.96Å; L755-R757 VanDerWaalsContact C-N 3.35Å; L755-R757 PolarHBondContact O-N 3.09Å; L755-G758 PolarHBondContact O-N 3.48Å; L755-G758 VanDerWaalsContact O-N 3.12Å; L755-I759 HydrophobicContact CD1-CD1 4.44Å; L755-I759 HydrophobicContact CG-CD1 4.07Å; L755-I759 WeakPolarHBondContact O-CG1 3.47Å; L755-I759 PolarHBondContact O-N 3.42Å |
| 756 | K | 84.4 | Confident | 79.2 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 32% | 0.317 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 176.4 | -156.9 | 169.7 | -170.6 | 171.4 | 0 | 111.2 | E692 V752 G758 I759 D760 | E692-K756 IonicContact OE1-NZ 2.61Å; E692-K756 PolarHBondContact OE1-NZ 2.73Å; E692-K756 WeakPolarHBondContact OE2-CD 3.25Å; E692-K756 WeakPolarHBondContact OE2-CE 3.32Å; E692-K756 IonicContact OE2-NZ 3.76Å; E692-K756 PolarHBondContact OE2-NZ 3.2Å; V752-K756 WeakPolarHBondContact O-CB 3.42Å; V752-K756 PolarHBondContact O-N 2.68Å; K756-G758 PolarHBondContact O-N 3.48Å; K756-I759 WeakPolarHBondContact O-CB 3.4Å; K756-I759 PolarHBondContact O-N 3.01Å; K756-I759 VanDerWaalsContact O-N 3.15Å; K756-D760 PolarHBondContact O-N 2.96Å |
| 757 | R | 81.9 | Confident | 79.3 | Confident | 163 Ų | 163 | 70 Ų | 70 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 173.6 | -168.4 | -179.1 | -58.6 | -175.6 | 2 | 112.9 | G753 L754 L755 I759 D760 D761 | G753-R757 PolarHBondContact O-N 3.27Å; G753-R757 VanDerWaalsContact O-N 3.16Å; L754-R757 PolarHBondContact O-N 3.39Å; L755-R757 VanDerWaalsContact C-N 3.35Å; L755-R757 PolarHBondContact O-N 3.09Å; R757-I759 VanDerWaalsContact C-N 3.3Å; R757-I759 PolarHBondContact O-N 2.75Å; R757-D760 PolarHBondContact O-N 2.77Å; R757-D761 PolarHBondContact O-N 2.95Å |
| 758 | G | 82.5 | Confident | 78.9 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -32 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L754 L755 K756 L762 | L754-G758 PolarHBondContact O-N 2.91Å; L755-G758 PolarHBondContact O-N 3.48Å; L755-G758 VanDerWaalsContact O-N 3.12Å; K756-G758 PolarHBondContact O-N 3.48Å; G758-L762 WeakPolarHBondContact O-CB 3.44Å; G758-L762 PolarHBondContact O-N 2.97Å |
| 759 | I | 83.1 | Confident | 78 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 171.5 | -66.6 | 162.5 | 0 | 0 | 0 | 110.4 | C696 D699 L700 F703 L755 K756 R757 L762 R763 | C696-I759 HydrophobicContact CB-CD1 3.91Å; D699-I759 HydrophobicContact CB-CG2 4.01Å; L700-I759 HydrophobicContact CD1-CD1 4.04Å; L700-I759 HydrophobicContact CD1-CG1 4.47Å; L700-I759 HydrophobicContact CD2-CD1 4.23Å; L700-I759 HydrophobicContact CD2-CG1 3.84Å; L700-I759 HydrophobicContact CG-CD1 3.72Å; L700-I759 HydrophobicContact CG-CG1 3.92Å; F703-I759 HydrophobicContact CD2-CG2 4.02Å; F703-I759 HydrophobicContact CE2-CG2 3.59Å; L755-I759 HydrophobicContact CD1-CD1 4.44Å; L755-I759 HydrophobicContact CG-CD1 4.07Å; L755-I759 WeakPolarHBondContact O-CG1 3.47Å; L755-I759 PolarHBondContact O-N 3.42Å; K756-I759 WeakPolarHBondContact O-CB 3.4Å; K756-I759 PolarHBondContact O-N 3.01Å; K756-I759 VanDerWaalsContact O-N 3.15Å; R757-I759 VanDerWaalsContact C-N 3.3Å; R757-I759 PolarHBondContact O-N 2.75Å; I759-L762 PolarHBondContact O-N 3.35Å; I759-R763 WeakPolarHBondContact O-CB 3.48Å; I759-R763 PolarHBondContact O-N 2.95Å |
| 760 | D | 79.9 | Confident | 76.9 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 35% | 0.353 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 175.7 | -69.9 | -41.2 | 0 | 0 | 0 | 113.4 | K756 R757 R763 R764 | K756-D760 PolarHBondContact O-N 2.96Å; R757-D760 PolarHBondContact O-N 2.77Å; D760-R763 WeakPolarHBondContact O-CB 3.43Å; D760-R763 PolarHBondContact O-N 3.36Å; D760-R763 IonicContact OD1-CZ 3.44Å; D760-R763 IonicContact OD1-NH1 2.82Å; D760-R763 PolarHBondContact OD1-NH1 3.24Å; D760-R764 PolarHBondContact O-N 2.96Å |
| 761 | D | 80.9 | Confident | 75.3 | Confident | 64 Ų | 64 | 75.7 Ų | 75.7 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 172.5 | -70.5 | -31.1 | 0 | 0 | 0 | 111 | R757 R763 R764 T765 | R757-D761 PolarHBondContact O-N 2.95Å; D761-R763 VanDerWaalsContact C-N 3.34Å; D761-R763 PolarHBondContact O-N 3.49Å; D761-R764 WeakPolarHBondContact O-CB 3.4Å; D761-R764 PolarHBondContact O-N 3.17Å; D761-R764 IonicContact OD1-CZ 3.75Å; D761-R764 IonicContact OD1-NH1 3.99Å; D761-R764 PolarHBondContact OD1-NH1 3.45Å; D761-R764 IonicContact OD1-NH2 2.71Å; D761-R764 PolarHBondContact OD1-NH2 3.46Å; D761-T765 PolarHBondContact O-N 2.88Å; D761-T765 PolarHBondContact O-OG1 3.29Å |
| 762 | L | 78.3 | Confident | 73.7 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 172.8 | -177.9 | 63.5 | 0 | 0 | 0 | 112 | G758 I759 R764 T765 V766 | G758-L762 WeakPolarHBondContact O-CB 3.44Å; G758-L762 PolarHBondContact O-N 2.97Å; I759-L762 PolarHBondContact O-N 3.35Å; L762-R764 VanDerWaalsContact C-N 3.3Å; L762-R764 PolarHBondContact O-N 2.8Å; L762-T765 PolarHBondContact O-N 2.85Å; L762-V766 HydrophobicContact CD1-CG2 4.08Å; L762-V766 HydrophobicContact CG-CG2 4.37Å; L762-V766 WeakPolarHBondContact O-CB 3.47Å; L762-V766 VanDerWaalsContact O-CG2 3.3Å; L762-V766 WeakPolarHBondContact O-CG2 3.43Å; L762-V766 PolarHBondContact O-N 3.22Å |
| 763 | R | 79.8 | Confident | 71.8 | Confident | 43 Ų | 43 | 88.6 Ų | 88.6 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 172.4 | -170.8 | 172 | -87 | 128.5 | -4.1 | 110.8 | D699 F703 L721 I759 D760 D761 A767 | D699-R763 IonicContact OD1-NH2 3.57Å; D699-R763 IonicContact OD2-CZ 2.73Å; D699-R763 IonicContact OD2-NH1 2.67Å; D699-R763 PolarHBondContact OD2-NH1 3.16Å; D699-R763 IonicContact OD2-NH2 3.17Å; D699-R763 PolarHBondContact OD2-NH2 3.35Å; F703-R763 HydrophobicContact CE1-CB 4.18Å; F703-R763 HydrophobicContact CE1-CG 4.49Å; F703-R763 HydrophobicContact CZ-CB 3.56Å; F703-R763 HydrophobicContact CZ-CG 3.84Å; L721-R763 HydrophobicContact CD1-CG 4.38Å; L721-R763 WeakPolarHBondContact O-CG 3.18Å; I759-R763 WeakPolarHBondContact O-CB 3.48Å; I759-R763 PolarHBondContact O-N 2.95Å; D760-R763 WeakPolarHBondContact O-CB 3.43Å; D760-R763 PolarHBondContact O-N 3.36Å; D760-R763 IonicContact OD1-CZ 3.44Å; D760-R763 IonicContact OD1-NH1 2.82Å; D760-R763 PolarHBondContact OD1-NH1 3.24Å; D761-R763 VanDerWaalsContact C-N 3.34Å; D761-R763 PolarHBondContact O-N 3.49Å; R763-A767 WeakPolarHBondContact O-CB 3.3Å; R763-A767 PolarHBondContact O-N 3.47Å; R763-A767 VanDerWaalsContact O-N 3.12Å |
| 764 | R | 75.4 | Confident | 70 | Confident | 128 Ų | 128 | 92.5 Ų | 92.5 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -52.2 | 177.8 | -159.1 | -174 | -51.8 | 108.8 | 15.4 | 111.9 | D760 D761 L762 V766 A767 E768 | D760-R764 PolarHBondContact O-N 2.96Å; D761-R764 WeakPolarHBondContact O-CB 3.4Å; D761-R764 PolarHBondContact O-N 3.17Å; D761-R764 IonicContact OD1-CZ 3.75Å; D761-R764 IonicContact OD1-NH1 3.99Å; D761-R764 PolarHBondContact OD1-NH1 3.45Å; D761-R764 IonicContact OD1-NH2 2.71Å; D761-R764 PolarHBondContact OD1-NH2 3.46Å; L762-R764 VanDerWaalsContact C-N 3.3Å; L762-R764 PolarHBondContact O-N 2.8Å; R764-V766 PolarHBondContact O-N 2.92Å; R764-A767 WeakPolarHBondContact O-CB 3.44Å; R764-A767 PolarHBondContact O-N 3.47Å; R764-A767 VanDerWaalsContact O-N 3.13Å; R764-E768 WeakPolarHBondContact CG-OE1 3.36Å; R764-E768 WeakPolarHBondContact O-CG 3.14Å; R764-E768 PolarHBondContact O-N 3.29Å |
| 765 | T | 76 | Confident | 67.8 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | D761 L762 A767 E768 Y769 | D761-T765 PolarHBondContact O-N 2.88Å; D761-T765 PolarHBondContact O-OG1 3.29Å; L762-T765 PolarHBondContact O-N 2.85Å; T765-A767 VanDerWaalsContact C-N 3.29Å; T765-A767 PolarHBondContact O-N 2.97Å; T765-E768 PolarHBondContact O-N 3.3Å; T765-Y769 HydrophobicContact CG2-CD2 3.89Å; T765-Y769 HydrophobicContact CG2-CE2 4.03Å; T765-Y769 WeakPolarHBondContact O-CD2 3.31Å; T765-Y769 PolarHBondContact O-N 3.49Å |
| 766 | V | 70.6 | Confident | 65.7 | Low | 16 Ų | 16 | 93.4 Ų | 93.4 | 10% | 0.097 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66.5 | -32.6 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | L721 L762 R764 C770 | L721-V766 HydrophobicContact CD1-CB 4.14Å; L721-V766 HydrophobicContact CD1-CG1 3.8Å; L721-V766 HydrophobicContact CD2-CG1 4.21Å; L762-V766 HydrophobicContact CD1-CG2 4.08Å; L762-V766 HydrophobicContact CG-CG2 4.37Å; L762-V766 WeakPolarHBondContact O-CB 3.47Å; L762-V766 VanDerWaalsContact O-CG2 3.3Å; L762-V766 WeakPolarHBondContact O-CG2 3.43Å; L762-V766 PolarHBondContact O-N 3.22Å; R764-V766 PolarHBondContact O-N 2.92Å; V766-C770 PolarHBondContact O-SG 2.8Å |
| 767 | A | 67 | Low | 63.2 | Low | 50 Ų | 50 | 93.2 Ų | 93.2 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.9 | -41.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L721 R763 R764 T765 Y769 C770 | L721-A767 HydrophobicContact CD2-CB 4.19Å; R763-A767 WeakPolarHBondContact O-CB 3.3Å; R763-A767 PolarHBondContact O-N 3.47Å; R763-A767 VanDerWaalsContact O-N 3.12Å; R764-A767 WeakPolarHBondContact O-CB 3.44Å; R764-A767 PolarHBondContact O-N 3.47Å; R764-A767 VanDerWaalsContact O-N 3.13Å; T765-A767 VanDerWaalsContact C-N 3.29Å; T765-A767 PolarHBondContact O-N 2.97Å; A767-Y769 VanDerWaalsContact C-N 3.27Å; A767-Y769 PolarHBondContact O-N 3.31Å; A767-C770 WeakPolarHBondContact O-CB 3.36Å; A767-C770 PolarHBondContact O-N 3.44Å; A767-C770 VanDerWaalsContact O-N 3.08Å |
| 768 | E | 65.6 | Low | 61 | Low | 127 Ų | 127 | 92.1 Ų | 92.1 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -35.4 | 174.5 | -71.6 | 164.6 | -179.7 | 0 | 0 | 112 | R764 T765 C770 | R764-E768 WeakPolarHBondContact CG-OE1 3.36Å; R764-E768 WeakPolarHBondContact O-CG 3.14Å; R764-E768 PolarHBondContact O-N 3.29Å; T765-E768 PolarHBondContact O-N 3.3Å; E768-C770 VanDerWaalsContact C-N 3.26Å; E768-C770 PolarHBondContact O-N 2.99Å |
| 769 | Y | 59.5 | Low | 59.1 | Low | 169 Ų | 169 | 94.8 Ų | 94.8 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 24.1 | 174.1 | -78.1 | -100.8 | 0 | 0 | 0 | 113.7 | R710 T765 A767 P771 | R710-Y769 PolarHBondContact NH1-O 2.76Å; R710-Y769 PolarHBondContact NH2-O 3Å; T765-Y769 HydrophobicContact CG2-CD2 3.89Å; T765-Y769 HydrophobicContact CG2-CE2 4.03Å; T765-Y769 WeakPolarHBondContact O-CD2 3.31Å; T765-Y769 PolarHBondContact O-N 3.49Å; A767-Y769 VanDerWaalsContact C-N 3.27Å; A767-Y769 PolarHBondContact O-N 3.31Å; Y769-P771 VanDerWaalsContact O-CD 3.26Å; Y769-P771 WeakPolarHBondContact O-CD 3.43Å |
| 770 | C | 57 | Low | 57.1 | Low | 50 Ų | 50 | 101.8 Ų | 101.8 | 34% | 0.338 | 58% | 0.581 | S | S | . | * | trans | -101 | 89.6 | 163.1 | -75 | 0 | 0 | 0 | 0 | 109.6 | V766 A767 E768 Q772 | V766-C770 PolarHBondContact O-SG 2.8Å; A767-C770 WeakPolarHBondContact O-CB 3.36Å; A767-C770 PolarHBondContact O-N 3.44Å; A767-C770 VanDerWaalsContact O-N 3.08Å; E768-C770 VanDerWaalsContact C-N 3.26Å; E768-C770 PolarHBondContact O-N 2.99Å; C770-Q772 PolarHBondContact O-N 2.86Å | ||
| 771 | P | 47.7 | Very low | 54.8 | Low | 100 Ų | 100 | 111.3 Ų | 111.3 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | trans | -62.3 | 136 | 179.2 | 26.6 | -34.6 | 0 | 0 | 0 | 110.7 | Y769 Y773 | Y769-P771 VanDerWaalsContact O-CD 3.26Å; Y769-P771 WeakPolarHBondContact O-CD 3.43Å; P771-Y773 PolarHBondContact O-N 3.08Å | ||
| 772 | Q | 46.6 | Very low | 53.5 | Low | 179 Ų | 179 | 113.7 Ų | 113.7 | 84% | 0.836 | 64% | 0.637 | S | S | * | * | trans | -56.1 | 126.3 | 167.2 | -77.9 | 177.4 | -32.5 | 0 | 0 | 109.1 | C770 V774 | C770-Q772 PolarHBondContact O-N 2.86Å; Q772-V774 HydrophobicContact CB-CG2 4.25Å; Q772-V774 PolarHBondContact O-N 3.48Å | ||
| 773 | Y | 44 | Very low | 52.2 | Low | 223 Ų | 223 | 116 Ų | 116 | 88% | 0.875 | 65% | 0.651 | S | S | * | * | trans | -79.8 | 55.3 | -173.4 | -140.4 | -84.1 | 0 | 0 | 0 | 111.9 | P771 A775 | P771-Y773 PolarHBondContact O-N 3.08Å; Y773-A775 VanDerWaalsContact C-N 3.32Å; Y773-A775 PolarHBondContact O-N 3.23Å | ||
| 774 | V | 42 | Very low | 50.7 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | trans | -74.1 | 87.6 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 108 | Q772 P776 | Q772-V774 HydrophobicContact CB-CG2 4.25Å; Q772-V774 PolarHBondContact O-N 3.48Å; V774-P776 VanDerWaalsContact O-CD 3.26Å; V774-P776 WeakPolarHBondContact O-CD 3.45Å | ||
| 775 | A | 35.7 | Very low | 49.2 | Very low | 77 Ų | 77 | 119.6 Ų | 119.6 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | trans | -72.5 | 117.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y773 G777 | Y773-A775 VanDerWaalsContact C-N 3.32Å; Y773-A775 PolarHBondContact O-N 3.23Å; A775-G777 PolarHBondContact O-N 2.85Å | ||
| 776 | P | 40.8 | Very low | 47.5 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | trans | -98.1 | 85.4 | 177.4 | 34.6 | -23.6 | 0 | 0 | 0 | 109.7 | V774 | V774-P776 VanDerWaalsContact O-CD 3.26Å; V774-P776 WeakPolarHBondContact O-CD 3.45Å | ||
| 777 | G | 33 | Very low | 46 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 169.1 | 46.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | A775 | A775-G777 PolarHBondContact O-N 2.85Š| ||
| 778 | C | 36.6 | Very low | 44.5 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -128.4 | 95 | 160.8 | -91.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 779 | A | 41.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -147.1 | 55.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 780 | T | 40.7 | Very low | 41.5 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -153.6 | 55.3 | 173.1 | 12.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 781 | Q | 32.4 | Very low | 40.1 | Very low | 266 Ų | 266 | 141.4 Ų | 141.4 | 100% | 1.243 | 84% | 0.838 | S | S | * | * | -157.8 | 0 | 119.4 | -162.6 | 153.3 | 27.9 | 0 | 0 | 110.6 |
Retrieved 781 of 781 residues in 174 ms
(Link to these results)