| 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 | 29.6 | Very low | 32.3 | Very low | 232 Ų | 232 | 139.7 Ų | 139.7 | 100% | 1.143 | 77% | 0.769 | S | S | * | * | 0 | 109.2 | 0 | -65.6 | 173 | 176.8 | 0 | 0 | 105.9 | |||||
| 2 | S | 31.9 | Very low | 32.2 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 88.5 | 103.4 | 65.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 3 | L | 31.2 | Very low | 32.1 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 20.4 | 165.4 | 136.8 | -56.4 | 170.9 | 0 | 0 | 0 | 120.9 | ||||
| 4 | P | 58 | Low | 31.9 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -119.9 | 175.4 | -13.9 | 12.4 | 14.5 | 0 | 0 | 0 | 111.5 | ||||
| 5 | S | 34.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 67.3 | 117.9 | 57.5 | -36.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 6 | Q | 29.8 | Very low | 31.9 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 175.7 | 146.2 | 153.9 | -90.7 | -80.2 | 0.9 | 0 | 0 | 106.7 | ||||
| 7 | V | 31.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | cis | 108.2 | 137.5 | -0.9 | -180 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 8 | N | 27.3 | Very low | 32.5 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 67.3 | 173.9 | 171.3 | -70.4 | -4.6 | 0 | 0 | 0 | 120.5 | ||||
| 9 | T | 28.1 | Very low | 32.3 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | -173.2 | 169.1 | -75.8 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 10 | D | 24 | Very low | 32.2 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | trans | 71.2 | 138.2 | 164.8 | -60.8 | -65.4 | 0 | 0 | 0 | 117.6 | ||||
| 11 | K | 30.1 | Very low | 32.5 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | cis | 90.7 | 140.2 | 36.4 | -69.2 | 176.3 | -141.1 | 138.2 | 0 | 114 | ||||
| 12 | S | 30.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -175.9 | 141.2 | -18.4 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | K | 30.9 | Very low | 32.3 | Very low | 214 Ų | 214 | 141.7 Ų | 141.7 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | trans | -166.6 | 173.7 | 177.5 | -103.7 | 159.9 | -174.1 | 174.5 | 0 | 112.6 | ||||
| 14 | L | 29.6 | Very low | 32.2 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | -161.6 | 124.9 | -84.8 | -137.3 | 174.6 | 0 | 0 | 0 | 112.3 | |||||
| 15 | R | 35.5 | Very low | 30.6 | Very low | 249 Ų | 249 | 145.8 Ų | 145.8 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | -173 | 163.4 | 159 | -115.9 | 176.6 | -179.3 | 176.8 | 0.1 | 113.6 | ||||
| 16 | T | 28.4 | Very low | 31.3 | Very low | 130 Ų | 130 | 147 Ų | 147 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -139.5 | 168.4 | -173.6 | 13.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | P | 43.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -147.5 | -170.8 | 39.4 | 44.7 | -24.3 | 0 | 0 | 0 | 118.5 | ||||
| 18 | A | 31.8 | Very low | 30.8 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | 102.4 | 115.6 | 153 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 19 | M | 28.3 | Very low | 30.8 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 55.9 | 126.7 | 163.4 | -66.4 | -175.1 | 162.7 | 0 | 0 | 119 | D21 | M19-D21 VanDerWaalsContact C-OD2 3.25Š|
| 20 | K | 29.3 | Very low | 30.7 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | cis | -168.6 | 73.3 | -14.3 | -177.7 | -175.1 | 177.7 | -177.5 | 0 | 106.5 | ||||
| 21 | D | 38.4 | Very low | 30.9 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | 72.9 | 126.3 | 60.7 | -59.7 | -50 | 0 | 0 | 0 | 114.7 | M19 | M19-D21 VanDerWaalsContact C-OD2 3.25Š| |||
| 22 | G | 30.9 | Very low | 30.7 | Very low | 82 Ų | 82 | 148 Ų | 148 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 172.2 | 52.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 23 | V | 26.4 | Very low | 30.5 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 70% | 0.697 | 82% | 0.815 | S | S | * | * | trans | -84.3 | 135.8 | 169.9 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 24 | Q | 28.8 | Very low | 30.2 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -156.5 | 119.4 | 151.6 | -120 | 136.7 | 99.2 | 0 | 0 | 113.3 | ||||
| 25 | H | 25.8 | Very low | 30.1 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -90.8 | -160.8 | 151.6 | -50.6 | -98.3 | 0 | 0 | 0 | 107.5 | ||||
| 26 | P | 47.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | cis | -130.7 | -165.5 | -18.8 | 34.2 | -12.6 | 0 | 0 | 0 | 112.7 | ||||
| 27 | G | 25.8 | Very low | 30.7 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 135.8 | 109.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 28 | E | 26.1 | Very low | 30.1 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | cis | 92.3 | 115.2 | 45.5 | -73.9 | -150 | 123.9 | 0 | 0 | 115.3 | ||||
| 29 | V | 27.6 | Very low | 29.9 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | 82.3 | 127.6 | 125 | 172.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 30 | Y | 26.2 | Very low | 29.8 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | 93.1 | 128.2 | 149.6 | -106.6 | -131.4 | 0 | 0 | 0 | 124.8 | ||||
| 31 | Y | 26.2 | Very low | 29.7 | Very low | 200 Ų | 200 | 132 Ų | 132 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 14.2 | 138.6 | 139.4 | -74.4 | -102.9 | 0 | 0 | 0 | 121.9 | ||||
| 32 | G | 26.3 | Very low | 29.3 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -162.6 | 124.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 33 | M | 26.6 | Very low | 29.1 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 97% | 0.966 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 155.5 | 171.6 | -70.1 | -125.4 | -63.7 | 0 | 0 | 111.2 | ||||
| 34 | G | 26.2 | Very low | 29.3 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -176.7 | 124.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 35 | S | 26.7 | Very low | 29.5 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -141.8 | 175.8 | 164.3 | -64 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 36 | P | 49.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -109.6 | -114.9 | -1.1 | 36 | -16.6 | 0 | 0 | 0 | 112.7 | ||||
| 37 | A | 27 | Very low | 29 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | cis | -148.1 | 128.5 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | L | 30.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | 72.4 | 113.4 | 92.1 | -68 | 179.3 | 0 | 0 | 0 | 119 | |||||
| 39 | K | 26.9 | Very low | 29.5 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | 64 | 160.2 | 144.8 | -64 | 178.7 | 179.1 | -178.6 | 0 | 118 | ||||
| 40 | A | 27.2 | Very low | 29.6 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | cis | -164.8 | 162.9 | -29.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 41 | S | 25.6 | Very low | 29.8 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | 161.2 | 150 | 75 | -97.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 42 | H | 30.3 | Very low | 29.7 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | 59.8 | 138.3 | 145.1 | -70.8 | -69.8 | 0 | 0 | 0 | 126.2 | ||||
| 43 | S | 27.8 | Very low | 29.7 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 74.4 | 93.6 | 136.4 | 62.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 44 | D | 29.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 119.5 Ų | 119.5 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | 57.1 | 148.4 | 104 | -64.8 | -55.6 | 0 | 0 | 0 | 124.8 | |||||
| 45 | S | 34.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 77.2 | 150 | 156.9 | -62 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 46 | A | 32.9 | Very low | 31 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | cis | -170.6 | 163.2 | -22.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 47 | S | 30.3 | Very low | 29.9 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | trans | 66.4 | 158.7 | 165.6 | -58.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 48 | G | 28.6 | Very low | 30 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -174.7 | 171 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 49 | S | 32.2 | Very low | 29.9 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -62.3 | 155.9 | 178 | -178 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 50 | G | 30.2 | Very low | 29.9 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | cis | 152.1 | -178 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 51 | V | 30.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | 66.8 | 115.6 | 161.8 | -163.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 52 | Y | 23.9 | Very low | 30.7 | Very low | 223 Ų | 223 | 131.4 Ų | 131.4 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | -176.5 | 175.6 | 115.4 | -143.5 | -104.7 | 0 | 0 | 0 | 113.1 | |||||
| 53 | N | 27.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -106.9 | -172.8 | -174.1 | -142.8 | 8.8 | 0 | 0 | 0 | 110.5 | ||||
| 54 | P | 48.4 | Very low | 30.4 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 60% | 0.597 | 78% | 0.777 | S | S | * | * | cis | -145.8 | -171.1 | -6.2 | 45.3 | -25 | 0 | 0 | 0 | 118.2 | ||||
| 55 | E | 26.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | 80.6 | 141.3 | 142.3 | -82.8 | -153.1 | 114.9 | 0 | 0 | 126.5 | ||||
| 56 | K | 31.2 | Very low | 29.8 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | trans | 74.7 | 137.2 | 143.8 | -76.7 | 163.7 | 174.9 | 136.6 | 0 | 122.9 | ||||
| 57 | G | 27.1 | Very low | 30.1 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 151 | 121 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 58 | H | 28.6 | Very low | 29.7 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -115.4 | 153.3 | 168.3 | -76.9 | -113.3 | 0 | 0 | 0 | 110.3 | ||||
| 59 | Q | 29.1 | Very low | 29.9 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 160.3 | 137.6 | 108.9 | -84.4 | -163.4 | 22.6 | 0 | 0 | 116.2 | |||||
| 60 | N | 26 | Very low | 29.6 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 75 | 149.2 | 138 | -77.1 | -40.6 | 0 | 0 | 0 | 126.4 | ||||
| 61 | L | 26.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -69.7 | -177.7 | 169.2 | -122.8 | 60.8 | 0 | 0 | 0 | 111.8 | ||||
| 62 | P | 44.6 | Very low | 29 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | cis | -141.2 | 177.1 | 2.1 | 42.4 | -24.5 | 0 | 0 | 0 | 117.2 | ||||
| 63 | H | 27.4 | Very low | 28.9 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | -176.5 | -173.7 | 110.6 | -139.9 | 63.2 | 0 | 0 | 0 | 112.5 | |||||
| 64 | Y | 24.6 | Very low | 28.7 | Very low | 187 Ų | 187 | 145 Ų | 145 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -147.3 | 154.1 | -158.1 | -172.3 | -116.7 | 0 | 0 | 0 | 114.3 | ||||
| 65 | Q | 26.8 | Very low | 27.5 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 69.9 | 132.8 | 178.4 | -76.8 | 177.6 | 112.7 | 0 | 0 | 116.6 | ||||
| 66 | Q | 24.9 | Very low | 28 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | 72 | 147.8 | 62.8 | -74 | -92.7 | 10.3 | 0 | 0 | 113.3 | |||||
| 67 | P | 38.1 | Very low | 27.7 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -139.8 | -177.9 | 5.5 | 41.4 | -22.9 | 0 | 0 | 0 | 117.7 | ||||
| 68 | S | 22.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 73.5 | 167.3 | 146 | 69.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 69 | A | 33.1 | Very low | 27.4 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -148 | 151.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 70 | V | 26.2 | Very low | 27.6 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -150.9 | 128.7 | 175 | -176.5 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 71 | K | 22.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 42% | 0.417 | 75% | 0.753 | S | S | . | * | cis | 96.5 | 109.5 | 37.4 | -172 | 173.1 | 169.4 | 179.4 | 0 | 112.4 | D574 E576 | K71-D574 WeakPolarHBondContact CE-OD2 3.36Å; K71-D574 IonicContact NZ-OD1 2.67Å; K71-D574 PolarHBondContact NZ-OD1 3.49Å; K71-D574 IonicContact NZ-OD2 3.83Å; K71-D574 PolarHBondContact NZ-OD2 3.11Å; K71-D574 VanDerWaalsContact NZ-OD2 3.17Å; K71-E576 IonicContact NZ-OE2 3.9Å; K71-E576 PolarHBondContact NZ-OE2 3.4Å | ||
| 72 | W | 23.3 | Very low | 27.5 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 71% | 0.705 | 76% | 0.757 | S | S | * | * | trans | 67.3 | 155.8 | 178 | -51.8 | 138.6 | 0 | 0 | 0 | 116.8 | D574 | W72-D574 HydrophobicContact CZ2-CB 3.78Š| ||
| 73 | M | 23.8 | Very low | 26.5 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | cis | -147.9 | -171.2 | 30.4 | -140 | 165.1 | -170 | 0 | 0 | 113.4 | ||||
| 74 | Q | 23.3 | Very low | 26.3 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -99.1 | 147.7 | -168.3 | -70.6 | 175.2 | -65.4 | 0 | 0 | 116.2 | ||||
| 75 | D | 22.1 | Very low | 26.4 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 21.2 | 153.5 | 131.6 | -105.5 | -23.7 | 0 | 0 | 0 | 121.1 | ||||
| 76 | P | 36.8 | Very low | 26.3 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | -156.3 | -179.5 | 52.4 | 44.4 | -23.2 | 0 | 0 | 0 | 120.2 | |||||
| 77 | L | 25.4 | Very low | 26.7 | Very low | 142 Ų | 142 | 137 Ų | 137 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 81.1 | 138.5 | 157.2 | -60.4 | 176.8 | 0 | 0 | 0 | 119.8 | ||||
| 78 | Q | 24 | Very low | 26.2 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | cis | -168.3 | 149.2 | -22.3 | -144.9 | -176.3 | 19.5 | 0 | 0 | 113.4 | ||||
| 79 | A | 24.3 | Very low | 26.5 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | 62.6 | 169.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 80 | P | 34.8 | Very low | 26.3 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | cis | -117.4 | 177.8 | -27.6 | 35.9 | -20.8 | 0 | 0 | 0 | 112.3 | ||||
| 81 | G | 24.4 | Very low | 26.4 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | cis | 161.1 | 154.4 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 82 | W | 23.8 | Very low | 26.7 | Very low | 245 Ų | 245 | 140.7 Ų | 140.7 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | 69.2 | 132.5 | 165.5 | -61.8 | 59.7 | 0 | 0 | 0 | 117 | ||||
| 83 | T | 23.7 | Very low | 27.2 | Very low | 109 Ų | 109 | 141 Ų | 141 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | cis | 76.3 | 134.3 | 39.4 | 66.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 84 | Q | 25.1 | Very low | 27.4 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | cis | -167.1 | 176 | -4.3 | 167.1 | 170.4 | -8.9 | 0 | 0 | 109.5 | ||||
| 85 | E | 25.2 | Very low | 27.7 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 98 | 139.4 | 168.8 | -59.8 | -162.6 | 165.4 | 0 | 0 | 117 | ||||
| 86 | A | 25.3 | Very low | 28 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | cis | -158.8 | 140.4 | -21.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 87 | P | 32.5 | Very low | 27.9 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 135.6 | 175.9 | 32.8 | -29.4 | 0 | 0 | 0 | 113.5 | ||
| 88 | V | 28.5 | Very low | 27.9 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 152.2 | 169.7 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | G90 | V88-G90 PolarHBondContact O-N 2.78Š|
| 89 | A | 28.3 | Very low | 28.2 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 90 | G | 27.9 | Very low | 28.4 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 142.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V88 G92 | V88-G90 PolarHBondContact O-N 2.78Å; G90-G92 PolarHBondContact O-N 3.34Å |
| 91 | W | 29.2 | Very low | 28 | Very low | 262 Ų | 262 | 141.2 Ų | 141.2 | 99% | 0.992 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 124.1 | -177.9 | -77.9 | 36.8 | 0 | 0 | 0 | 111.4 | ||
| 92 | G | 28.3 | Very low | 28.1 | Very low | 58 Ų | 58 | 144.5 Ų | 144.5 | 60% | 0.598 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 145.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G90 N94 | G90-G92 PolarHBondContact O-N 3.34Å; G92-N94 PolarHBondContact O-N 3.22Å |
| 93 | Q | 35.1 | Very low | 28.2 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 114.4 | 174.1 | -67.1 | 178.8 | -13.1 | 0 | 0 | 110.6 | F95 | Q93-F95 PolarHBondContact O-N 3.05Š| ||
| 94 | N | 26.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -90.9 | 97.5 | 177.4 | -76.5 | -47.5 | 0 | 0 | 0 | 111.3 | G92 | G92-N94 PolarHBondContact O-N 3.22Š| ||
| 95 | F | 30 | Very low | 28.4 | Very low | 206 Ų | 206 | 144.2 Ų | 144.2 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -115.7 | 92 | 156 | -84.9 | -71.7 | 0 | 0 | 0 | 109.2 | Q93 | Q93-F95 PolarHBondContact O-N 3.05Š| ||
| 96 | G | 29.4 | Very low | 28.4 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82 | 149 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 97 | P | 34.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.4 | 175 | 31.4 | -32.8 | 0 | 0 | 0 | 111.1 | ||
| 98 | Y | 26.2 | Very low | 28.2 | Very low | 224 Ų | 224 | 148.9 Ų | 148.9 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 141 | 179.4 | -170 | -98.1 | 0 | 0 | 0 | 112.7 | ||
| 99 | M | 29.8 | Very low | 27.9 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 124.8 | -176.7 | -78.3 | -76.4 | 174.6 | 0 | 0 | 111.7 | ||
| 100 | S | 27.4 | Very low | 27.7 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77 | 122.2 | 160.2 | -175 | 0 | 0 | 0 | 0 | 108.9 | ||
| 101 | S | 27.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 155.8 Ų | 155.8 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 150.3 | 179.8 | 50.6 | 0 | 0 | 0 | 0 | 113 | ||
| 102 | V | 25.8 | Very low | 27.3 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 153.4 | 170.3 | -84.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 103 | N | 26.9 | Very low | 27.2 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -134.3 | 127.1 | 160.8 | -123.1 | -22.5 | 0 | 0 | 0 | 108.6 | ||||
| 104 | V | 25.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -145.2 | 95.7 | -175.7 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 105 | R | 27 | Very low | 26.7 | Very low | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | 173.3 | 153.4 | 154 | -101 | -179 | 137.8 | 135.8 | 1.7 | 108.5 | ||||
| 106 | D | 24.6 | Very low | 26.3 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | cis | -141.1 | 172 | -7 | -138.6 | -27.6 | 0 | 0 | 0 | 110.8 | ||||
| 107 | Q | 27.1 | Very low | 26.1 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -97.3 | 137.6 | 170.6 | -68 | 177 | 60 | 0 | 0 | 111 | ||||
| 108 | M | 26.3 | Very low | 25.6 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 97% | 0.97 | 79% | 0.789 | S | S | * | * | trans | -144.4 | 152.2 | 144.7 | -78.6 | -150.9 | 174.6 | 0 | 0 | 110.6 | ||||
| 109 | A | 23.2 | Very low | 25.4 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -150.8 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 110 | F | 22.9 | Very low | 25.1 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 151.4 | -169 | -53.5 | -86.3 | 0 | 0 | 0 | 113.5 | ||||
| 111 | H | 25.5 | Very low | 25.4 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | cis | -110.2 | 155.4 | 2.6 | -100.2 | -92.6 | 0 | 0 | 0 | 113.8 | ||||
| 112 | K | 23.2 | Very low | 25.1 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -104.3 | 116.9 | 167.2 | -175.2 | -174 | -178.6 | -169.9 | 0 | 107.7 | V114 | K112-V114 HydrophobicContact CG-CG2 4.38Š| ||
| 113 | G | 26.3 | Very low | 25 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 129.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 114 | V | 23.7 | Very low | 24.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | -145.7 | 123.9 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 107.3 | K112 | K112-V114 HydrophobicContact CG-CG2 4.38Š| ||
| 115 | H | 26.7 | Very low | 24.8 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -155.9 | 164.6 | 139.9 | -123 | -99.1 | 0 | 0 | 0 | 110.6 | ||||
| 116 | E | 23.1 | Very low | 24.8 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -39.8 | 171.6 | 176 | -65.5 | 153.7 | 168.5 | 0 | 0 | 117.4 | ||||
| 117 | G | 24.6 | Very low | 24.9 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | 124.8 | 170.9 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 118 | V | 23.8 | Very low | 24.8 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | 68.1 | 123.6 | -172.7 | -169.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 119 | A | 22.9 | Very low | 24.7 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | 103.5 | 142.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 120 | M | 23.3 | Very low | 24.6 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 74 | 160.2 | 174.2 | -55.5 | -54 | -75.3 | 0 | 0 | 115.9 | M122 | M120-M122 HydrophobicContact CE-CG 4.26Š| ||
| 121 | P | 32.9 | Very low | 25.5 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | cis | -132.2 | -174.1 | 12.9 | 44.4 | -27.3 | 0 | 0 | 0 | 118.7 | ||||
| 122 | M | 22.4 | Very low | 25.6 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | -58.1 | 155.8 | -174.2 | -51.6 | 163.7 | 173.9 | 0 | 0 | 118.9 | M120 | M120-M122 HydrophobicContact CE-CG 4.26Š| ||
| 123 | A | 22.8 | Very low | 25.7 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | -175.3 | 138.7 | 119.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 124 | A | 23.2 | Very low | 25.7 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | cis | 67.9 | 130.7 | 45.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 125 | E | 25.5 | Very low | 25.8 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | cis | -160.9 | 163.5 | 32.5 | -89.9 | -163.3 | 100.8 | 0 | 0 | 114.1 | ||||
| 126 | N | 26.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | trans | 70.9 | 153 | 135.9 | -70.7 | -10.4 | 0 | 0 | 0 | 124.6 | ||||
| 127 | Q | 26.5 | Very low | 26.2 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -174.1 | 171.8 | -29.6 | -137.5 | -175.7 | 94.7 | 0 | 0 | 112.2 | ||||
| 128 | L | 25.5 | Very low | 26.3 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | 69.9 | 156.8 | 158.7 | -60.8 | 155.3 | 0 | 0 | 0 | 117.2 | ||||
| 129 | T | 23.3 | Very low | 26.5 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | cis | -150.7 | 136.8 | 6.1 | -20.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 130 | A | 20.9 | Very low | 27 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | cis | 69 | 147.7 | 46.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 131 | P | 42.3 | Very low | 27.4 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | cis | -137.4 | -141.6 | -16 | 41.1 | -19.8 | 0 | 0 | 0 | 113.5 | ||||
| 132 | V | 27.3 | Very low | 27.2 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | trans | 97.3 | 139.1 | 168.3 | 177.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 133 | E | 25.7 | Very low | 27.4 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | cis | -173.4 | 161.2 | -40.7 | -133 | -176.6 | 159 | 0 | 0 | 110.4 | ||||
| 134 | V | 27.1 | Very low | 27.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | 67.5 | 135.3 | 156.6 | 164.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 135 | Y | 25.1 | Very low | 27.7 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 66% | 0.655 | 73% | 0.728 | S | S | * | * | cis | -160.6 | 150.5 | 19.5 | -147.1 | -145.4 | 0 | 0 | 0 | 112.8 | ||||
| 136 | R | 29.7 | Very low | 27.8 | Very low | 180 Ų | 180 | 135 Ų | 135 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | 37.3 | 153.6 | 136.5 | -76.8 | -157.1 | -166.9 | 137.5 | 11.6 | 124.6 | ||||
| 137 | D | 27.4 | Very low | 27.7 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | cis | -171.8 | 162.7 | -19.8 | -146.9 | -31.2 | 0 | 0 | 0 | 110.8 | ||||
| 138 | A | 27.7 | Very low | 27.8 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | 60.7 | 147.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 139 | S | 28.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | cis | -148.5 | 136.4 | 6.1 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 140 | Q | 33.4 | Very low | 27.9 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | 48.2 | 140.8 | 138.4 | -64 | -179.3 | 7.8 | 0 | 0 | 120.9 | ||||
| 141 | A | 32.1 | Very low | 28.4 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | cis | -160.1 | 178.2 | -8.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 142 | Q | 28.6 | Very low | 27.8 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | cis | -156.8 | 127.1 | 17.5 | -150.4 | 162.4 | -16 | 0 | 0 | 106.6 | ||||
| 143 | T | 26.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | 33.6 | 128.2 | 96 | 29.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 144 | Q | 28.2 | Very low | 29.1 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | cis | -146.4 | 174.1 | 13.6 | -86.3 | 141.7 | 20.7 | 0 | 0 | 109.3 | ||||
| 145 | G | 24.5 | Very low | 29.6 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | cis | 131.5 | 141.8 | 3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 146 | R | 27.4 | Very low | 30 | Very low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | trans | 67.9 | 140.1 | -168.8 | -65.6 | -173.2 | -93.1 | -104.4 | 4 | 114.5 | ||||
| 147 | G | 23.4 | Very low | 30.2 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | cis | 101.5 | 149.8 | -3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 148 | L | 29.3 | Very low | 30.8 | Very low | 149 Ų | 149 | 134 Ų | 134 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 70.4 | 150.8 | -172 | -46.1 | 176.3 | 0 | 0 | 0 | 112.8 | ||||
| 149 | E | 23.7 | Very low | 31.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | cis | -171.6 | -165.4 | -19.4 | 53.2 | -175.5 | -153.5 | 0 | 0 | 108.9 | ||||
| 150 | W | 28.1 | Very low | 32.3 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | 64.8 | 89.1 | 174.4 | -61.7 | 116.6 | 0 | 0 | 0 | 119.8 | Q152 | W150-Q152 PolarHBondContact O-N 3.34Š| ||
| 151 | E | 29.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | -25.7 | 116 | 121.7 | 175 | 177.5 | -166.5 | 0 | 0 | 114.6 | |||||
| 152 | Q | 30.5 | Very low | 33.2 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -164.9 | 115.4 | 148.3 | -120.2 | 174.3 | 83.1 | 0 | 0 | 114.2 | W150 | W150-Q152 PolarHBondContact O-N 3.34Š| ||
| 153 | H | 34.2 | Very low | 33.8 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | 42.9 | 151.9 | 144.2 | -74.6 | -90.2 | 0 | 0 | 0 | 124 | ||||
| 154 | P | 45.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -96.9 | 133.6 | -167 | 35.9 | -33.1 | 0 | 0 | 0 | 115.1 | ||||
| 155 | S | 37.7 | Very low | 35 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -176.2 | 14.2 | 151.3 | 42.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 156 | A | 33.7 | Very low | 35.8 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -111.2 | -7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | A158 | A156-A158 PolarHBondContact O-N 2.88Š| ||
| 157 | A | 34.2 | Very low | 36.1 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 7.3 | -165 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 158 | A | 39.8 | Very low | 36.4 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 1.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A156 | A156-A158 PolarHBondContact O-N 2.88Š|
| 159 | V | 42.9 | Very low | 36.6 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -113 | -26.1 | -165.8 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | H161 | V159-H161 PolarHBondContact O-N 3.3Š|
| 160 | M | 44 | Very low | 36.9 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 93% | 0.931 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 10.3 | -169.6 | -72.2 | -155.8 | -70.9 | 0 | 0 | 117 | ||
| 161 | H | 39.6 | Very low | 36.9 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 20.2 | 172.1 | -156.5 | -77.5 | 0 | 0 | 0 | 113.6 | V159 | V159-H161 PolarHBondContact O-N 3.3Š|
| 162 | Q | 45.3 | Very low | 36.9 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -125.5 | 26.8 | 174 | -152.1 | 179.1 | -0.3 | 0 | 0 | 113.3 | ||
| 163 | A | 40.8 | Very low | 37 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -133.5 | 28.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 164 | Q | 40.5 | Very low | 36.7 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -142.3 | 24.8 | -179.9 | -146.1 | -179.9 | 1.3 | 0 | 0 | 116.6 | ||
| 165 | L | 39.8 | Very low | 35.8 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -137.4 | 24.2 | 175.2 | -78.4 | -179.6 | 0 | 0 | 0 | 115.2 | ||
| 166 | Q | 41.1 | Very low | 35.4 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -137 | 49.4 | 175.6 | -70.6 | -165.1 | -11.3 | 0 | 0 | 113.8 | ||
| 167 | A | 33.3 | Very low | 35.5 | Very low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -156.6 | 58.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 168 | Y | 30.8 | Very low | 35.2 | Very low | 238 Ų | 238 | 153.5 Ų | 153.5 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | trans | -154.5 | 73 | 163.5 | -121.3 | -73.7 | 0 | 0 | 0 | 113.7 | ||||
| 169 | Q | 32.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | trans | -142.3 | 133.3 | 162.4 | -94.2 | -65 | -4.2 | 0 | 0 | 110 | ||||
| 170 | H | 30.2 | Very low | 33.7 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | trans | 72.5 | 133.2 | 169.5 | -67.9 | 34.7 | 0 | 0 | 0 | 119.6 | ||||
| 171 | G | 28 | Very low | 33.8 | Very low | 68 Ų | 68 | 151.3 Ų | 151.3 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | 93.1 | 126.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 172 | H | 30.2 | Very low | 33.5 | Very low | 201 Ų | 201 | 149 Ų | 149 | 93% | 0.931 | 80% | 0.804 | S | S | * | * | cis | -149.9 | 179.4 | 44.9 | -92.8 | -94.4 | 0 | 0 | 0 | 113.5 | ||||
| 173 | K | 31.8 | Very low | 33.1 | Very low | 205 Ų | 205 | 146 Ų | 146 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -120.1 | 129.5 | -178.4 | -60.9 | 177.4 | 179.8 | 178.8 | 0 | 112.6 | ||||
| 174 | G | 29.2 | Very low | 33.5 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 61.1 | 167.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 175 | V | 26.5 | Very low | 33 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 70.3 | 126.7 | 153 | 177.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 176 | D | 29.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | cis | -166.9 | 164.9 | -12.2 | -123.9 | -47.2 | 0 | 0 | 0 | 112.6 | ||||
| 177 | L | 34.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 60.1 | 159.3 | 154.7 | -66.4 | 165.9 | 0 | 0 | 0 | 118.9 | ||||
| 178 | Q | 27.8 | Very low | 32 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | cis | -150.8 | 151.7 | 2.4 | -158.8 | 167.9 | -13.9 | 0 | 0 | 111.5 | ||||
| 179 | G | 26 | Very low | 32.1 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 153 | 104.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 180 | Q | 26.7 | Very low | 31.9 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -104 | 142.3 | 174.2 | -98.6 | -76.5 | -43.4 | 0 | 0 | 110.6 | ||||
| 181 | P | 46.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -143 | -176.8 | 87.7 | 23 | 0.1 | 0 | 0 | 0 | 115.3 | |||||
| 182 | H | 32.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | cis | -177.9 | 102.6 | -39.3 | 173.6 | -92.4 | 0 | 0 | 0 | 111.8 | ||||
| 183 | V | 37.5 | Very low | 33.2 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | trans | 63.5 | 150.4 | 137.2 | 177 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 184 | P | 49.8 | Very low | 33.2 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | cis | -113.6 | 174.6 | -22.6 | 33.3 | -16.4 | 0 | 0 | 0 | 112 | ||||
| 185 | A | 29.4 | Very low | 34.1 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | cis | -147.1 | -166.3 | 22.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 186 | H | 33.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | cis | -147.2 | -134.2 | 3.6 | -150.2 | -60.1 | 0 | 0 | 0 | 111.1 | ||||
| 187 | T | 28.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 138 Ų | 138 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | -144.8 | 153.3 | -167.5 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 188 | M | 31.6 | Very low | 34 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | 80.4 | 135.7 | 22.9 | -56 | -63.1 | 174.1 | 0 | 0 | 114.6 | ||||
| 189 | Q | 31.9 | Very low | 34.1 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | -157.8 | -169.5 | -17.4 | -142.2 | -172.5 | 98.7 | 0 | 0 | 110.5 | ||||
| 190 | G | 27.8 | Very low | 34.5 | Very low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | trans | -90 | -155.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 191 | P | 56.1 | Low | 34.5 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -140.5 | -158.2 | -3.7 | 39.8 | -18.2 | 0 | 0 | 0 | 114.6 | ||||
| 192 | I | 29.7 | Very low | 33.7 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 98.9 | 130.3 | 143.4 | -104.2 | 169.4 | 0 | 0 | 0 | 123.1 | ||||
| 193 | L | 30.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 141 Ų | 141 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 68.8 | 116.1 | 155.7 | -70 | 171.4 | 0 | 0 | 0 | 126 | ||||
| 194 | Q | 31.2 | Very low | 33.6 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | 50.6 | 164.8 | 129.9 | -79.9 | -169.2 | -12.7 | 0 | 0 | 123.8 | |||||
| 195 | P | 47.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -134.4 | -170.7 | -29.3 | 37.7 | -18.4 | 0 | 0 | 0 | 114.7 | ||||
| 196 | F | 27.8 | Very low | 32.8 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -18 | 131.5 | 173 | -75.9 | -93.7 | 0 | 0 | 0 | 121.4 | ||||
| 197 | Q | 30.7 | Very low | 32.7 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | -163.3 | 179 | 117.7 | -108.3 | -178.9 | 46.3 | 0 | 0 | 111.4 | |||||
| 198 | A | 31.5 | Very low | 32.6 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -140.3 | 160 | -157.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 199 | S | 29.9 | Very low | 32.7 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 104.3 | 140.3 | 151.1 | -42.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 200 | F | 32.7 | Very low | 32.7 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 57.4 | 126.9 | 164.8 | -47.4 | -63.8 | 0 | 0 | 0 | 117.9 | ||||
| 201 | R | 27.3 | Very low | 32.8 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | cis | -137.4 | 163.4 | 30.7 | -72 | -175.4 | 173.5 | -148.2 | -0.4 | 114.1 | ||||
| 202 | S | 30.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 160 Ų | 160 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 157.9 | 165.5 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 203 | N | 28.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 134.6 | 154.4 | -165.9 | -4.5 | 0 | 0 | 0 | 109.5 | ||||
| 204 | K | 37.4 | Very low | 31.6 | Very low | 202 Ų | 202 | 157.6 Ų | 157.6 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | -159.1 | 105.8 | -178.5 | -115.1 | -167.2 | 178.7 | -173.8 | 0 | 109 | ||||
| 205 | Q | 31.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 158.4 Ų | 158.4 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -150.7 | 143.1 | 170.5 | -86.2 | -169.4 | -36.4 | 0 | 0 | 108.6 | ||||
| 206 | Q | 30.5 | Very low | 31.6 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | cis | -158.2 | 157.9 | -14.8 | -140.7 | 165 | -28.3 | 0 | 0 | 109.9 | ||||
| 207 | F | 32.2 | Very low | 31.8 | Very low | 205 Ų | 205 | 153.8 Ų | 153.8 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | trans | -90.6 | 157.2 | 160.2 | -80.1 | -92.2 | 0 | 0 | 0 | 109.7 | ||||
| 208 | S | 25.7 | Very low | 31.9 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -139.2 | 150.8 | 162.1 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 209 | S | 33.9 | Very low | 32.5 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -158.4 | 136.9 | -175.8 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 210 | G | 31.8 | Very low | 32.7 | Very low | 65 Ų | 65 | 155.2 Ų | 155.2 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | trans | 75.7 | 125.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 211 | Y | 31.4 | Very low | 33.2 | Very low | 246 Ų | 246 | 153.4 Ų | 153.4 | 97% | 0.965 | 82% | 0.816 | S | S | * | * | trans | -151 | 166.3 | 140.2 | -119.9 | -83 | 0 | 0 | 0 | 109.9 | ||||
| 212 | Y | 30.9 | Very low | 33.5 | Very low | 214 Ų | 214 | 149.7 Ų | 149.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -114.9 | 137.1 | -157 | -153.4 | -92.1 | 0 | 0 | 0 | 112.3 | ||||
| 213 | S | 30.5 | Very low | 34 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -168.4 | 119.5 | 155.8 | -88.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 214 | V | 29.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 59.9 | 124.4 | 130.2 | -174.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 215 | F | 35.8 | Very low | 34.3 | Very low | 189 Ų | 189 | 151 Ų | 151 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -63.9 | 150 | 166.2 | -77.5 | -93.3 | 0 | 0 | 0 | 112.8 | ||||
| 216 | P | 42.5 | Very low | 35.1 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | -132.5 | 163.6 | 100.9 | 38.2 | -31.7 | 0 | 0 | 0 | 113.3 | |||||
| 217 | A | 31.7 | Very low | 36 | Very low | 84 Ų | 84 | 149.9 Ų | 149.9 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | trans | -106.4 | 128 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 218 | N | 33.8 | Very low | 37 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -169.9 | 137.1 | 133.2 | -111.5 | -57.1 | 0 | 0 | 0 | 114.2 | ||||
| 219 | K | 44.1 | Very low | 38.8 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | 21.5 | 125 | 146.5 | -59.8 | 165 | -169.3 | 173.9 | 0 | 120.2 | ||||
| 220 | G | 33.8 | Very low | 40.3 | Very low | 80 Ų | 80 | 148.2 Ų | 148.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 180 | 113.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 221 | I | 44 | Very low | 42 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 82% | 0.821 | 80% | 0.799 | S | S | * | * | trans | -104.2 | 120.7 | 174.1 | -57.9 | 168.2 | 0 | 0 | 0 | 108.8 | ||||
| 222 | I | 33.7 | Very low | 44 | Very low | 166 Ų | 166 | 147 Ų | 147 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -145 | 139.3 | 154.4 | -66.8 | -168.2 | 0 | 0 | 0 | 108.9 | ||||
| 223 | Y | 41.3 | Very low | 46.1 | Very low | 224 Ų | 224 | 141.5 Ų | 141.5 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -87.8 | 152 | 172.8 | -98.1 | -103.9 | 0 | 0 | 0 | 111.7 | ||||
| 224 | G | 35.5 | Very low | 48.3 | Very low | 83 Ų | 83 | 141 Ų | 141 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -173 | 65.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 225 | E | 35.8 | Very low | 50.8 | Low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -122.9 | 126 | 162.4 | -164.8 | 174.6 | -149.8 | 0 | 0 | 108.9 | ||||
| 226 | Q | 47.9 | Very low | 53.1 | Low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 130.5 | -175.7 | -84.1 | -162.3 | -6.8 | 0 | 0 | 111.8 | K228 | Q226-K228 PolarHBondContact O-N 3.38Š|
| 227 | P | 49.6 | Very low | 55 | Low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 127 | 168 | 29.4 | -32.7 | 0 | 0 | 0 | 109.7 | T229 | P227-T229 PolarHBondContact O-N 3.12Š|
| 228 | K | 53.4 | Low | 57.5 | Low | 157 Ų | 157 | 136.1 Ų | 136.1 | 68% | 0.683 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.9 | 166 | -67.9 | 177.1 | -177.8 | 172.5 | 0 | 108.4 | Q226 Q230 | Q226-K228 PolarHBondContact O-N 3.38Å; K228-Q230 PolarHBondContact O-N 3.23Å |
| 229 | T | 64.6 | Low | 59.9 | Low | 97 Ų | 97 | 134.8 Ų | 134.8 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.5 | -172.1 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | P227 Q231 Q232 | P227-T229 PolarHBondContact O-N 3.12Å; T229-Q231 PolarHBondContact O-N 3.21Å; T229-Q232 WeakPolarHBondContact O-CB 3.37Å; T229-Q232 PolarHBondContact O-N 3.06Å |
| 230 | Q | 64.7 | Low | 61.9 | Low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -53.1 | -34.6 | -170.3 | -168.1 | 177.4 | 19 | 0 | 0 | 113.1 | K228 Q232 I233 L234 | K228-Q230 PolarHBondContact O-N 3.23Å; Q230-Q232 PolarHBondContact O-N 3.18Å; Q230-I233 PolarHBondContact O-N 3.31Å; Q230-L234 PolarHBondContact O-N 2.73Å; Q230-L234 VanDerWaalsContact O-N 3.11Å |
| 231 | Q | 68 | Low | 64.3 | Low | 163 Ų | 163 | 133.4 Ų | 133.4 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.4 | -38.4 | 175.4 | -67.8 | 178.8 | -14.4 | 0 | 0 | 113.5 | T229 L234 H235 | T229-Q231 PolarHBondContact O-N 3.21Å; Q231-L234 PolarHBondContact O-N 3.27Å; Q231-H235 WeakPolarHBondContact O-CB 3.45Å; Q231-H235 PolarHBondContact O-N 2.82Å |
| 232 | Q | 72 | Confident | 66.3 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.6 | -36.2 | -178.1 | -164.1 | -179.9 | 51.7 | 0 | 0 | 111.6 | T229 Q230 Q236 | T229-Q232 WeakPolarHBondContact O-CB 3.37Å; T229-Q232 PolarHBondContact O-N 3.06Å; Q230-Q232 PolarHBondContact O-N 3.18Å; Q232-Q236 WeakPolarHBondContact O-CB 3.26Å; Q232-Q236 PolarHBondContact O-N 2.65Å |
| 233 | I | 76 | Confident | 68.8 | Low | 99 Ų | 99 | 131.1 Ų | 131.1 | 51% | 0.508 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.9 | -42.9 | 173.3 | -59.6 | 174.6 | 0 | 0 | 0 | 110.3 | Q230 Q236 M237 | Q230-I233 PolarHBondContact O-N 3.31Å; I233-Q236 PolarHBondContact O-N 3.4Å; I233-M237 WeakPolarHBondContact O-CB 3.32Å; I233-M237 PolarHBondContact O-N 2.98Å |
| 234 | L | 75.8 | Confident | 71 | Confident | 100 Ų | 100 | 126.7 Ų | 126.7 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 178.2 | -133.4 | 163.9 | 0 | 0 | 0 | 111.7 | Q230 Q231 M237 Q238 | Q230-L234 PolarHBondContact O-N 2.73Å; Q230-L234 VanDerWaalsContact O-N 3.11Å; Q231-L234 PolarHBondContact O-N 3.27Å; L234-M237 HydrophobicContact CD2-CE 4.07Å; L234-M237 HydrophobicContact CG-CE 4.28Å; L234-M237 PolarHBondContact O-N 3.49Å; L234-Q238 PolarHBondContact O-N 2.7Å |
| 235 | H | 83.1 | Confident | 73.5 | Confident | 102 Ų | 102 | 128.2 Ų | 128.2 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.9 | -40.7 | 176.1 | -166.3 | 72.7 | 0 | 0 | 0 | 112.3 | Q231 M237 Q238 Q239 | Q231-H235 WeakPolarHBondContact O-CB 3.45Å; Q231-H235 PolarHBondContact O-N 2.82Å; H235-M237 VanDerWaalsContact C-N 3.35Å; H235-M237 PolarHBondContact O-N 3.46Å; H235-Q238 PolarHBondContact O-N 3.49Å; H235-Q239 PolarHBondContact CD2-NE2 2.78Å; H235-Q239 PolarHBondContact NE2-NE2 2.93Å; H235-Q239 WeakPolarHBondContact O-CG 3.22Å; H235-Q239 PolarHBondContact O-N 3.42Å |
| 236 | Q | 84.1 | Confident | 76.1 | Confident | 121 Ų | 121 | 124.3 Ų | 124.3 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | 173.8 | 180 | 167.4 | 93.7 | 0 | 0 | 112.1 | Q232 I233 Q239 Q240 | Q232-Q236 WeakPolarHBondContact O-CB 3.26Å; Q232-Q236 PolarHBondContact O-N 2.65Å; I233-Q236 PolarHBondContact O-N 3.4Å; Q236-Q239 PolarHBondContact O-N 2.99Å; Q236-Q240 WeakPolarHBondContact O-CG 3.46Å; Q236-Q240 PolarHBondContact O-N 3.19Å |
| 237 | M | 81.6 | Confident | 78.1 | Confident | 89 Ų | 89 | 120.1 Ų | 120.1 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.7 | -40.8 | 174.9 | -176 | -113.3 | -65.6 | 0 | 0 | 111.8 | I233 L234 H235 Q240 Q241 | I233-M237 WeakPolarHBondContact O-CB 3.32Å; I233-M237 PolarHBondContact O-N 2.98Å; L234-M237 HydrophobicContact CD2-CE 4.07Å; L234-M237 HydrophobicContact CG-CE 4.28Å; L234-M237 PolarHBondContact O-N 3.49Å; H235-M237 VanDerWaalsContact C-N 3.35Å; H235-M237 PolarHBondContact O-N 3.46Å; M237-Q240 PolarHBondContact O-N 2.94Å; M237-Q241 WeakPolarHBondContact O-CG 3.28Å; M237-Q241 PolarHBondContact O-N 3.08Å; M237-Q241 PolarHBondContact SD-NE2 2.87Å |
| 238 | Q | 85.6 | Confident | 80.1 | Confident | 113 Ų | 113 | 119.5 Ų | 119.5 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 175.6 | -170.5 | 173.1 | 46 | 0 | 0 | 112.5 | L234 H235 Q240 Q241 M242 | L234-Q238 PolarHBondContact O-N 2.7Å; H235-Q238 PolarHBondContact O-N 3.49Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q238-Q241 PolarHBondContact O-N 3.35Å; Q238-M242 PolarHBondContact O-N 2.96Å |
| 239 | Q | 84.2 | Confident | 81.9 | Confident | 108 Ų | 108 | 117.3 Ų | 117.3 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.6 | -39.6 | 174 | -71.4 | -177.4 | 5.2 | 0 | 0 | 112.2 | H235 Q236 M242 H243 | H235-Q239 PolarHBondContact CD2-NE2 2.78Å; H235-Q239 PolarHBondContact NE2-NE2 2.93Å; H235-Q239 WeakPolarHBondContact O-CG 3.22Å; H235-Q239 PolarHBondContact O-N 3.42Å; Q236-Q239 PolarHBondContact O-N 2.99Å; Q239-M242 PolarHBondContact O-N 3.48Å; Q239-H243 PolarHBondContact O-N 3.46Å |
| 240 | Q | 84.8 | Confident | 83.1 | Confident | 128 Ų | 128 | 117.7 Ų | 117.7 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.4 | -38.7 | 175.2 | -72.9 | -179.9 | 8.8 | 0 | 0 | 112.5 | Q236 M237 Q238 H243 H244 | Q236-Q240 WeakPolarHBondContact O-CG 3.46Å; Q236-Q240 PolarHBondContact O-N 3.19Å; M237-Q240 PolarHBondContact O-N 2.94Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q240-H243 PolarHBondContact O-N 2.92Å; Q240-H244 WeakPolarHBondContact O-CB 3.43Å; Q240-H244 PolarHBondContact O-N 2.96Å |
| 241 | Q | 84.6 | Confident | 84.3 | Confident | 120 Ų | 120 | 115 Ų | 115 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 174.2 | -71.7 | -179.1 | 9.4 | 0 | 0 | 112.1 | M237 Q238 H243 H244 H245 | M237-Q241 WeakPolarHBondContact O-CG 3.28Å; M237-Q241 PolarHBondContact O-N 3.08Å; M237-Q241 PolarHBondContact SD-NE2 2.87Å; Q238-Q241 PolarHBondContact O-N 3.35Å; Q241-H243 PolarHBondContact O-N 2.71Å; Q241-H244 PolarHBondContact O-N 2.73Å; Q241-H245 PolarHBondContact O-N 2.94Å |
| 242 | M | 85.8 | Confident | 85.4 | Confident | 133 Ų | 133 | 113.6 Ų | 113.6 | 66% | 0.655 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.1 | -46.1 | 174.3 | -78.5 | -66.5 | -67.8 | 0 | 0 | 112.1 | Q238 Q239 H244 H245 H246 | Q238-M242 PolarHBondContact O-N 2.96Å; Q239-M242 PolarHBondContact O-N 3.48Å; M242-H244 PolarHBondContact O-N 3.44Å; M242-H245 PolarHBondContact O-N 3.17Å; M242-H246 PolarHBondContact O-N 3.48Å |
| 243 | H | 85.9 | Confident | 86.4 | Confident | 145 Ų | 145 | 114.4 Ų | 114.4 | 67% | 0.671 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 176.4 | -107.1 | -68.4 | 0 | 0 | 0 | 112.8 | Q239 Q240 Q241 H247 | Q239-H243 PolarHBondContact O-N 3.46Å; Q240-H243 PolarHBondContact O-N 2.92Å; Q241-H243 PolarHBondContact O-N 2.71Å; H243-H247 WeakPolarHBondContact O-CB 3.49Å; H243-H247 PolarHBondContact O-N 3.44Å |
| 244 | H | 87.3 | Confident | 87.1 | Confident | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 177.2 | -169.1 | 81.1 | 0 | 0 | 0 | 111.8 | Q240 Q241 M242 H247 Q248 | Q240-H244 WeakPolarHBondContact O-CB 3.43Å; Q240-H244 PolarHBondContact O-N 2.96Å; Q241-H244 PolarHBondContact O-N 2.73Å; M242-H244 PolarHBondContact O-N 3.44Å; H244-H247 PolarHBondContact O-N 3.33Å; H244-Q248 WeakPolarHBondContact O-CB 3.42Å; H244-Q248 PolarHBondContact O-N 3.27Å |
| 245 | H | 88.5 | Confident | 87.9 | Confident | 116 Ų | 116 | 118 Ų | 118 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -44.5 | 177.8 | -170 | 70.3 | 0 | 0 | 0 | 112.1 | Q241 M242 H247 Q248 Q249 | Q241-H245 PolarHBondContact O-N 2.94Å; M242-H245 PolarHBondContact O-N 3.17Å; H245-H247 PolarHBondContact O-N 3.38Å; H245-Q248 PolarHBondContact O-N 3.25Å; H245-Q249 WeakPolarHBondContact O-CB 3.33Å; H245-Q249 PolarHBondContact O-N 2.93Å |
| 246 | H | 90.1 | Very high | 88.3 | Confident | 107 Ų | 107 | 119.7 Ų | 119.7 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | 176.4 | -173.4 | 68.1 | 0 | 0 | 0 | 112.2 | M242 Q249 Q250 | M242-H246 PolarHBondContact O-N 3.48Å; H246-Q249 PolarHBondContact O-N 3.24Å; H246-Q250 WeakPolarHBondContact O-CB 3.22Å; H246-Q250 PolarHBondContact O-N 3.34Å |
| 247 | H | 90.5 | Very high | 88.7 | Confident | 96 Ų | 96 | 120.5 Ų | 120.5 | 44% | 0.444 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.7 | -40.1 | 175.9 | -171.3 | 66.4 | 0 | 0 | 0 | 112.3 | H243 H244 H245 Q250 Q251 | H243-H247 WeakPolarHBondContact O-CB 3.49Å; H243-H247 PolarHBondContact O-N 3.44Å; H244-H247 PolarHBondContact O-N 3.33Å; H245-H247 PolarHBondContact O-N 3.38Å; H247-Q250 PolarHBondContact O-N 3.3Å; H247-Q251 PolarHBondContact CD2-NE2 3.32Å; H247-Q251 PolarHBondContact NE2-NE2 3.15Å; H247-Q251 WeakPolarHBondContact O-CG 3.3Å; H247-Q251 PolarHBondContact O-N 2.95Å |
| 248 | Q | 90.8 | Very high | 89.2 | Confident | 98 Ų | 98 | 122 Ų | 122 | 46% | 0.458 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | 175.2 | -170.9 | 178.6 | 39.6 | 0 | 0 | 112.1 | H244 H245 Q251 Q252 | H244-Q248 WeakPolarHBondContact O-CB 3.42Å; H244-Q248 PolarHBondContact O-N 3.27Å; H245-Q248 PolarHBondContact O-N 3.25Å; Q248-Q251 PolarHBondContact O-N 3.06Å; Q248-Q252 PolarHBondContact O-N 3.24Å; Q248-Q252 VanDerWaalsContact O-N 3.09Å |
| 249 | Q | 91 | Very high | 89.5 | Confident | 111 Ų | 111 | 123 Ų | 123 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -42.6 | 175.4 | -171.3 | 179 | 49.6 | 0 | 0 | 111.7 | H245 H246 Q252 Q253 | H245-Q249 WeakPolarHBondContact O-CB 3.33Å; H245-Q249 PolarHBondContact O-N 2.93Å; H246-Q249 PolarHBondContact O-N 3.24Å; Q249-Q252 PolarHBondContact O-N 3.05Å; Q249-Q253 PolarHBondContact O-N 3.4Å |
| 250 | Q | 91.2 | Very high | 89.9 | Confident | 105 Ų | 105 | 124.4 Ų | 124.4 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 176.8 | -170 | 174.8 | 68 | 0 | 0 | 112.1 | H246 H247 Q253 Q254 | H246-Q250 WeakPolarHBondContact O-CB 3.22Å; H246-Q250 PolarHBondContact O-N 3.34Å; H247-Q250 PolarHBondContact O-N 3.3Å; Q250-Q253 PolarHBondContact O-N 3.07Å; Q250-Q254 WeakPolarHBondContact O-CB 3.46Å; Q250-Q254 PolarHBondContact O-N 3.3Å |
| 251 | Q | 89.8 | Confident | 90.3 | Very high | 108 Ų | 108 | 124 Ų | 124 | 51% | 0.505 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.1 | -44.6 | 173 | -72.7 | -170.6 | 20.4 | 0 | 0 | 112.4 | H247 Q248 Q253 Q254 Q255 | H247-Q251 PolarHBondContact CD2-NE2 3.32Å; H247-Q251 PolarHBondContact NE2-NE2 3.15Å; H247-Q251 WeakPolarHBondContact O-CG 3.3Å; H247-Q251 PolarHBondContact O-N 2.95Å; Q248-Q251 PolarHBondContact O-N 3.06Å; Q251-Q253 VanDerWaalsContact C-N 3.35Å; Q251-Q253 PolarHBondContact O-N 3.29Å; Q251-Q254 PolarHBondContact O-N 2.65Å; Q251-Q255 WeakPolarHBondContact O-CB 3.48Å; Q251-Q255 PolarHBondContact O-N 2.94Å |
| 252 | Q | 90.6 | Very high | 90.6 | Very high | 133 Ų | 133 | 124.2 Ų | 124.2 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.1 | -43.9 | 176.4 | -76.6 | -170 | 2.6 | 0 | 0 | 112.1 | Q248 Q249 Q255 Q256 | Q248-Q252 PolarHBondContact O-N 3.24Å; Q248-Q252 VanDerWaalsContact O-N 3.09Å; Q249-Q252 PolarHBondContact O-N 3.05Å; Q252-Q255 PolarHBondContact O-N 3.23Å; Q252-Q256 WeakPolarHBondContact O-CB 3.35Å; Q252-Q256 PolarHBondContact O-N 3.41Å |
| 253 | Q | 92.3 | Very high | 91 | Very high | 140 Ų | 140 | 121.1 Ų | 121.1 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64 | -43 | -179.5 | -167.9 | 175.7 | 78.9 | 0 | 0 | 111.7 | Q249 Q250 Q251 Q256 Q257 | Q249-Q253 PolarHBondContact O-N 3.4Å; Q250-Q253 PolarHBondContact O-N 3.07Å; Q251-Q253 VanDerWaalsContact C-N 3.35Å; Q251-Q253 PolarHBondContact O-N 3.29Å; Q253-Q256 PolarHBondContact O-N 2.99Å; Q253-Q257 WeakPolarHBondContact O-CB 3.28Å; Q253-Q257 PolarHBondContact O-N 3.37Å |
| 254 | Q | 91.5 | Very high | 91.3 | Very high | 132 Ų | 132 | 120.1 Ų | 120.1 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 176.1 | -169 | 174.5 | 92.9 | 0 | 0 | 112.1 | Q250 Q251 Q257 Q258 | Q250-Q254 WeakPolarHBondContact O-CB 3.46Å; Q250-Q254 PolarHBondContact O-N 3.3Å; Q251-Q254 PolarHBondContact O-N 2.65Å; Q254-Q257 PolarHBondContact O-N 3.21Å; Q254-Q258 WeakPolarHBondContact O-CB 3.5Å; Q254-Q258 PolarHBondContact O-N 3.18Å |
| 255 | Q | 91.8 | Very high | 91.5 | Very high | 142 Ų | 142 | 119.3 Ų | 119.3 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.4 | -39.3 | 177.2 | -164.1 | 176 | 99.6 | 0 | 0 | 112 | Q251 Q252 Q258 Q259 | Q251-Q255 WeakPolarHBondContact O-CB 3.48Å; Q251-Q255 PolarHBondContact O-N 2.94Å; Q252-Q255 PolarHBondContact O-N 3.23Å; Q255-Q258 PolarHBondContact O-N 3.1Å; Q255-Q259 WeakPolarHBondContact O-CB 3.29Å; Q255-Q259 PolarHBondContact O-N 3.29Å |
| 256 | Q | 92.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 118.6 Ų | 118.6 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 175.4 | -171.7 | 174.3 | 100.5 | 0 | 0 | 112.1 | Q252 Q253 Q259 Q260 | Q252-Q256 WeakPolarHBondContact O-CB 3.35Å; Q252-Q256 PolarHBondContact O-N 3.41Å; Q253-Q256 PolarHBondContact O-N 2.99Å; Q256-Q259 PolarHBondContact O-N 3.49Å; Q256-Q260 WeakPolarHBondContact O-CB 3.47Å; Q256-Q260 PolarHBondContact O-N 2.89Å |
| 257 | Q | 92.4 | Very high | 91.7 | Very high | 139 Ų | 139 | 117.8 Ų | 117.8 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 176.2 | -165.8 | 176.6 | 75.2 | 0 | 0 | 111.7 | Q253 Q254 Q260 Q261 | Q253-Q257 WeakPolarHBondContact O-CB 3.28Å; Q253-Q257 PolarHBondContact O-N 3.37Å; Q254-Q257 PolarHBondContact O-N 3.21Å; Q257-Q260 PolarHBondContact O-N 3.04Å; Q257-Q261 PolarHBondContact O-N 2.94Å |
| 258 | Q | 92.2 | Very high | 91.8 | Very high | 120 Ų | 120 | 119.3 Ų | 119.3 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.4 | -40.1 | 176.1 | -168.4 | 176 | 95.4 | 0 | 0 | 112.5 | Q254 Q255 Q261 Q262 | Q254-Q258 WeakPolarHBondContact O-CB 3.5Å; Q254-Q258 PolarHBondContact O-N 3.18Å; Q255-Q258 PolarHBondContact O-N 3.1Å; Q258-Q261 PolarHBondContact O-N 2.95Å; Q258-Q262 PolarHBondContact O-N 3.28Å; Q258-Q262 VanDerWaalsContact O-N 3.09Å |
| 259 | Q | 92.6 | Very high | 91.9 | Very high | 134 Ų | 134 | 120.5 Ų | 120.5 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.1 | -39.9 | 174.1 | -175.8 | 179 | 88.4 | 0 | 0 | 112.1 | Q255 Q256 Q261 Q262 Q263 | Q255-Q259 WeakPolarHBondContact O-CB 3.29Å; Q255-Q259 PolarHBondContact O-N 3.29Å; Q256-Q259 PolarHBondContact O-N 3.49Å; Q259-Q261 VanDerWaalsContact C-N 3.34Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q259-Q262 PolarHBondContact O-N 2.86Å; Q259-Q263 PolarHBondContact O-N 3.42Å; Q259-Q263 VanDerWaalsContact O-N 3.08Å |
| 260 | Q | 92.3 | Very high | 92 | Very high | 137 Ų | 137 | 119.1 Ų | 119.1 | 64% | 0.64 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.7 | -39.8 | 176.5 | -168.6 | 174.6 | 94 | 0 | 0 | 111.7 | Q256 Q257 Q263 Q264 | Q256-Q260 WeakPolarHBondContact O-CB 3.47Å; Q256-Q260 PolarHBondContact O-N 2.89Å; Q257-Q260 PolarHBondContact O-N 3.04Å; Q260-Q263 PolarHBondContact O-N 2.92Å; Q260-Q264 PolarHBondContact O-N 3.1Å |
| 261 | Q | 92.8 | Very high | 92.1 | Very high | 119 Ų | 119 | 120.4 Ų | 120.4 | 56% | 0.556 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.2 | -42.6 | 176.9 | -166.1 | 175.5 | 78.4 | 0 | 0 | 112.6 | Q257 Q258 Q259 Q263 Q264 Q265 | Q257-Q261 PolarHBondContact O-N 2.94Å; Q258-Q261 PolarHBondContact O-N 2.95Å; Q259-Q261 VanDerWaalsContact C-N 3.34Å; Q259-Q261 PolarHBondContact O-N 3.45Å; Q261-Q263 VanDerWaalsContact C-N 3.33Å; Q261-Q263 PolarHBondContact O-N 3.32Å; Q261-Q264 WeakPolarHBondContact O-CB 3.44Å; Q261-Q264 PolarHBondContact O-N 2.99Å; Q261-Q265 PolarHBondContact O-N 2.97Å; Q261-Q265 VanDerWaalsContact O-N 3.11Å |
| 262 | Q | 92.1 | Very high | 92.2 | Very high | 126 Ų | 126 | 121.1 Ų | 121.1 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.9 | -43.7 | 171.7 | -76.3 | -171.4 | 0.8 | 0 | 0 | 112.1 | Q258 Q259 Q264 Q265 Q266 | Q258-Q262 PolarHBondContact O-N 3.28Å; Q258-Q262 VanDerWaalsContact O-N 3.09Å; Q259-Q262 PolarHBondContact O-N 2.86Å; Q262-Q264 PolarHBondContact O-N 3.3Å; Q262-Q265 PolarHBondContact O-N 3.33Å; Q262-Q266 WeakPolarHBondContact O-CB 3.25Å; Q262-Q266 PolarHBondContact O-N 2.94Å |
| 263 | Q | 92.3 | Very high | 92.4 | Very high | 67 Ų | 67 | 120.1 Ų | 120.1 | 31% | 0.313 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.5 | -31 | 179.2 | -161.7 | -173.1 | 99.4 | 0 | 0 | 111.8 | Q259 Q260 Q261 Q267 | Q259-Q263 PolarHBondContact O-N 3.42Å; Q259-Q263 VanDerWaalsContact O-N 3.08Å; Q260-Q263 PolarHBondContact O-N 2.92Å; Q261-Q263 VanDerWaalsContact C-N 3.33Å; Q261-Q263 PolarHBondContact O-N 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.42Å; Q263-Q267 PolarHBondContact O-N 3.5Å; Q263-Q267 PolarHBondContact O-NE2 3.46Å |
| 264 | Q | 92.4 | Very high | 92.4 | Very high | 125 Ų | 125 | 118.5 Ų | 118.5 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.6 | -46.1 | 175.3 | -154.6 | 173.7 | 42.5 | 0 | 0 | 111.7 | Q260 Q261 Q262 Q266 Q267 Q268 | Q260-Q264 PolarHBondContact O-N 3.1Å; Q261-Q264 WeakPolarHBondContact O-CB 3.44Å; Q261-Q264 PolarHBondContact O-N 2.99Å; Q262-Q264 PolarHBondContact O-N 3.3Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q266 PolarHBondContact O-N 3.12Å; Q264-Q267 PolarHBondContact O-N 2.95Å; Q264-Q268 PolarHBondContact O-N 3.26Å; Q264-Q268 VanDerWaalsContact O-N 3.13Å |
| 265 | Q | 91.8 | Very high | 92.5 | Very high | 114 Ų | 114 | 117.9 Ų | 117.9 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.2 | -41.2 | 174.2 | -67.7 | 175.4 | 3.2 | 0 | 0 | 112.2 | Q261 Q262 Q267 Q268 H269 | Q261-Q265 PolarHBondContact O-N 2.97Å; Q261-Q265 VanDerWaalsContact O-N 3.11Å; Q262-Q265 PolarHBondContact O-N 3.33Å; Q265-Q267 VanDerWaalsContact C-N 3.34Å; Q265-Q267 PolarHBondContact O-N 3.31Å; Q265-Q268 PolarHBondContact O-N 3.33Å; Q265-H269 PolarHBondContact O-N 3.38Å |
| 266 | Q | 92.5 | Very high | 92.5 | Very high | 100 Ų | 100 | 115.7 Ų | 115.7 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 177.7 | -173.3 | 173.8 | 83.1 | 0 | 0 | 112.3 | Q262 Q264 H269 I270 | Q262-Q266 WeakPolarHBondContact O-CB 3.25Å; Q262-Q266 PolarHBondContact O-N 2.94Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q266 PolarHBondContact O-N 3.12Å; Q266-H269 PolarHBondContact O-N 2.93Å; Q266-I270 HydrophobicContact CG-CD1 4.23Å; Q266-I270 WeakPolarHBondContact O-CG1 3.48Å; Q266-I270 PolarHBondContact O-N 3.25Å; Q266-I270 VanDerWaalsContact O-N 3.1Å |
| 267 | Q | 91.6 | Very high | 92.6 | Very high | 90 Ų | 90 | 115.2 Ų | 115.2 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 174.9 | -74 | 164 | 114.1 | 0 | 0 | 112.1 | Q263 Q264 Q265 I270 H271 | Q263-Q267 WeakPolarHBondContact O-CG 3.42Å; Q263-Q267 PolarHBondContact O-N 3.5Å; Q263-Q267 PolarHBondContact O-NE2 3.46Å; Q264-Q267 PolarHBondContact O-N 2.95Å; Q265-Q267 VanDerWaalsContact C-N 3.34Å; Q265-Q267 PolarHBondContact O-N 3.31Å; Q267-I270 PolarHBondContact O-N 2.75Å; Q267-H271 PolarHBondContact O-N 2.66Å |
| 268 | Q | 91.5 | Very high | 92.5 | Very high | 129 Ų | 129 | 115.6 Ų | 115.6 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 174.3 | -70.7 | 173.7 | -19.4 | 0 | 0 | 111.9 | Q264 Q265 H271 Q272 | Q264-Q268 PolarHBondContact O-N 3.26Å; Q264-Q268 VanDerWaalsContact O-N 3.13Å; Q265-Q268 PolarHBondContact O-N 3.33Å; Q268-H271 PolarHBondContact O-N 3.41Å; Q268-Q272 PolarHBondContact O-N 3.27Å |
| 269 | H | 92.4 | Very high | 92.5 | Very high | 123 Ų | 123 | 116.5 Ų | 116.5 | 57% | 0.569 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -43.6 | 177.2 | -171.6 | -69.6 | 0 | 0 | 0 | 112.3 | Q265 Q266 H271 Q272 Q273 | Q265-H269 PolarHBondContact O-N 3.38Å; Q266-H269 PolarHBondContact O-N 2.93Å; H269-H271 VanDerWaalsContact C-N 3.32Å; H269-H271 PolarHBondContact O-N 2.94Å; H269-Q272 PolarHBondContact O-N 3.07Å; H269-Q273 WeakPolarHBondContact O-CB 3.24Å; H269-Q273 PolarHBondContact O-N 2.99Å |
| 270 | I | 93.5 | Very high | 92.4 | Very high | 82 Ų | 82 | 115.7 Ų | 115.7 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 176.1 | -69.3 | 165.1 | 0 | 0 | 0 | 110.8 | Q266 Q267 Q273 L274 | Q266-I270 HydrophobicContact CG-CD1 4.23Å; Q266-I270 WeakPolarHBondContact O-CG1 3.48Å; Q266-I270 PolarHBondContact O-N 3.25Å; Q266-I270 VanDerWaalsContact O-N 3.1Å; Q267-I270 PolarHBondContact O-N 2.75Å; I270-Q273 PolarHBondContact O-N 3.11Å; I270-L274 PolarHBondContact O-N 2.98Å |
| 271 | H | 92.8 | Very high | 92.3 | Very high | 132 Ų | 132 | 115.9 Ų | 115.9 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 179 | -163.4 | 90.1 | 0 | 0 | 0 | 112.2 | Q267 Q268 H269 L274 Q275 | Q267-H271 PolarHBondContact O-N 2.66Å; Q268-H271 PolarHBondContact O-N 3.41Å; H269-H271 VanDerWaalsContact C-N 3.32Å; H269-H271 PolarHBondContact O-N 2.94Å; H271-L274 PolarHBondContact O-N 3.28Å; H271-Q275 PolarHBondContact O-N 3.15Å |
| 272 | Q | 92.9 | Very high | 92.2 | Very high | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 176.4 | -175.2 | 169.4 | 86.5 | 0 | 0 | 112.3 | Q268 H269 L274 Q275 L276 | Q268-Q272 PolarHBondContact O-N 3.27Å; H269-Q272 PolarHBondContact O-N 3.07Å; Q272-L274 PolarHBondContact O-N 2.64Å; Q272-Q275 PolarHBondContact O-N 2.88Å; Q272-L276 HydrophobicContact CG-CD1 4.45Å; Q272-L276 WeakPolarHBondContact O-CG 3.48Å; Q272-L276 PolarHBondContact O-N 3.35Å |
| 273 | Q | 93.6 | Very high | 92.2 | Very high | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.1 | -172.3 | 177.1 | 14.2 | 0 | 0 | 112.1 | H269 I270 L276 Q277 | H269-Q273 WeakPolarHBondContact O-CB 3.24Å; H269-Q273 PolarHBondContact O-N 2.99Å; I270-Q273 PolarHBondContact O-N 3.11Å; Q273-L276 PolarHBondContact O-N 2.84Å; Q273-Q277 PolarHBondContact O-N 2.97Å |
| 274 | L | 93.3 | Very high | 92.2 | Very high | 105 Ų | 105 | 118.1 Ų | 118.1 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -39 | 177.4 | -168.1 | 67.4 | 0 | 0 | 0 | 111.9 | I270 H271 Q272 Q277 Q278 | I270-L274 PolarHBondContact O-N 2.98Å; H271-L274 PolarHBondContact O-N 3.28Å; Q272-L274 PolarHBondContact O-N 2.64Å; L274-Q277 PolarHBondContact O-N 2.92Å; L274-Q278 PolarHBondContact O-N 3.39Å |
| 275 | Q | 93.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 116.1 Ų | 116.1 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.3 | -43.4 | 175.3 | -167.9 | 178.8 | 36.1 | 0 | 0 | 112 | H271 Q272 Q278 Q279 | H271-Q275 PolarHBondContact O-N 3.15Å; Q272-Q275 PolarHBondContact O-N 2.88Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-Q279 PolarHBondContact O-N 2.72Å |
| 276 | L | 93.1 | Very high | 92.2 | Very high | 95 Ų | 95 | 116.1 Ų | 116.1 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.4 | -73.5 | 167 | 0 | 0 | 0 | 112 | Q272 Q273 Q279 Q280 | Q272-L276 HydrophobicContact CG-CD1 4.45Å; Q272-L276 WeakPolarHBondContact O-CG 3.48Å; Q272-L276 PolarHBondContact O-N 3.35Å; Q273-L276 PolarHBondContact O-N 2.84Å; L276-Q279 PolarHBondContact O-N 3.37Å; L276-Q280 WeakPolarHBondContact O-CG 3.39Å; L276-Q280 PolarHBondContact O-N 3.22Å |
| 277 | Q | 92.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 115.7 Ų | 115.7 | 59% | 0.593 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 177 | -175.6 | 175.2 | 83.4 | 0 | 0 | 112.1 | Q273 L274 Q279 Q280 H281 | Q273-Q277 PolarHBondContact O-N 2.97Å; L274-Q277 PolarHBondContact O-N 2.92Å; Q277-Q279 VanDerWaalsContact C-N 3.35Å; Q277-Q279 PolarHBondContact O-N 2.91Å; Q277-Q280 PolarHBondContact O-N 2.86Å; Q277-H281 PolarHBondContact O-N 3.42Å |
| 278 | Q | 90.9 | Very high | 92.3 | Very high | 148 Ų | 148 | 116.9 Ų | 116.9 | 69% | 0.692 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -41.8 | 175.5 | -168 | -173.1 | 99.2 | 0 | 0 | 111.5 | L274 Q275 H281 M282 | L274-Q278 PolarHBondContact O-N 3.39Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q278-H281 PolarHBondContact O-N 2.99Å; Q278-M282 PolarHBondContact O-N 2.77Å |
| 279 | Q | 91.9 | Very high | 92.3 | Very high | 138 Ų | 138 | 116.3 Ų | 116.3 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -41 | 177.5 | -167.1 | 176.3 | 100 | 0 | 0 | 112.2 | Q275 L276 Q277 H281 M282 Q283 | Q275-Q279 PolarHBondContact O-N 2.72Å; L276-Q279 PolarHBondContact O-N 3.37Å; Q277-Q279 VanDerWaalsContact C-N 3.35Å; Q277-Q279 PolarHBondContact O-N 2.91Å; Q279-H281 PolarHBondContact O-N 3.11Å; Q279-M282 PolarHBondContact O-N 3.22Å; Q279-Q283 PolarHBondContact O-N 2.72Å |
| 280 | Q | 91.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 115.2 Ų | 115.2 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 173.5 | -71.6 | 178.7 | 13.9 | 0 | 0 | 112.6 | L276 Q277 Q283 Q284 | L276-Q280 WeakPolarHBondContact O-CG 3.39Å; L276-Q280 PolarHBondContact O-N 3.22Å; Q277-Q280 PolarHBondContact O-N 2.86Å; Q280-Q283 PolarHBondContact O-N 3.47Å; Q280-Q284 PolarHBondContact O-N 3.3Å |
| 281 | H | 90.1 | Very high | 92.2 | Very high | 142 Ų | 142 | 117.3 Ų | 117.3 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -42.7 | 175.8 | -169.2 | -81 | 0 | 0 | 0 | 111.7 | Q277 Q278 Q279 Q283 Q284 H285 | Q277-H281 PolarHBondContact O-N 3.42Å; Q278-H281 PolarHBondContact O-N 2.99Å; Q279-H281 PolarHBondContact O-N 3.11Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-Q283 PolarHBondContact O-N 3.31Å; H281-Q284 PolarHBondContact O-N 3.22Å; H281-H285 WeakPolarHBondContact O-CB 3.34Å; H281-H285 PolarHBondContact O-N 3.01Å |
| 282 | M | 90.5 | Very high | 92.2 | Very high | 100 Ų | 100 | 115.6 Ų | 115.6 | 49% | 0.493 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.9 | -44.3 | 173.9 | -119.4 | -73.5 | -79.8 | 0 | 0 | 111.9 | Q278 Q279 H285 Q286 | Q278-M282 PolarHBondContact O-N 2.77Å; Q279-M282 PolarHBondContact O-N 3.22Å; M282-H285 PolarHBondContact O-N 2.77Å; M282-Q286 PolarHBondContact O-N 3.16Å; M282-Q286 VanDerWaalsContact O-N 3.1Å |
| 283 | Q | 92.7 | Very high | 92.1 | Very high | 126 Ų | 126 | 115.6 Ų | 115.6 | 59% | 0.589 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.5 | -42.9 | 177.4 | -172.8 | 174.3 | 62.4 | 0 | 0 | 112.5 | Q279 Q280 H281 H285 Q286 I287 | Q279-Q283 PolarHBondContact O-N 2.72Å; Q280-Q283 PolarHBondContact O-N 3.47Å; H281-Q283 VanDerWaalsContact C-N 3.34Å; H281-Q283 PolarHBondContact O-N 3.31Å; Q283-H285 VanDerWaalsContact C-N 3.33Å; Q283-H285 PolarHBondContact O-N 3.09Å; Q283-Q286 PolarHBondContact O-N 3.4Å; Q283-I287 HydrophobicContact CG-CD1 4.07Å; Q283-I287 VanDerWaalsContact O-CG1 3.32Å; Q283-I287 WeakPolarHBondContact O-CG1 3.38Å; Q283-I287 PolarHBondContact O-N 3.44Å |
| 284 | Q | 90.6 | Very high | 92 | Very high | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.1 | -39.6 | 174.5 | -78.7 | -173 | 60.7 | 0 | 0 | 112.3 | Q280 H281 I287 Q288 | Q280-Q284 PolarHBondContact O-N 3.3Å; H281-Q284 PolarHBondContact O-N 3.22Å; Q284-I287 PolarHBondContact O-N 2.77Å; Q284-Q288 WeakPolarHBondContact O-CB 3.33Å; Q284-Q288 PolarHBondContact O-N 2.88Å |
| 285 | H | 93 | Very high | 91.9 | Very high | 83 Ų | 83 | 116.4 Ų | 116.4 | 38% | 0.384 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -43.1 | 177.2 | -177.6 | -104.2 | 0 | 0 | 0 | 112.3 | H281 M282 Q283 Q288 Q289 | H281-H285 WeakPolarHBondContact O-CB 3.34Å; H281-H285 PolarHBondContact O-N 3.01Å; M282-H285 PolarHBondContact O-N 2.77Å; Q283-H285 VanDerWaalsContact C-N 3.33Å; Q283-H285 PolarHBondContact O-N 3.09Å; H285-Q288 PolarHBondContact O-N 3.24Å; H285-Q289 PolarHBondContact CE1-NE2 3.47Å; H285-Q289 PolarHBondContact NE2-NE2 3.48Å; H285-Q289 PolarHBondContact O-N 3.13Å |
| 286 | Q | 92.1 | Very high | 91.8 | Very high | 113 Ų | 113 | 116.2 Ų | 116.2 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -44.1 | 173.8 | -73.5 | -172.4 | -12.9 | 0 | 0 | 112.4 | M282 Q283 Q288 Q289 H290 | M282-Q286 PolarHBondContact O-N 3.16Å; M282-Q286 VanDerWaalsContact O-N 3.1Å; Q283-Q286 PolarHBondContact O-N 3.4Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å; Q286-Q288 PolarHBondContact O-N 3.07Å; Q286-Q289 PolarHBondContact O-N 3.13Å; Q286-H290 PolarHBondContact O-N 2.65Å |
| 287 | I | 93.6 | Very high | 91.6 | Very high | 91 Ų | 91 | 117.7 Ų | 117.7 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -41.3 | 176.5 | -67.8 | 165.6 | 0 | 0 | 0 | 110.8 | Q283 Q284 H290 Q291 | Q283-I287 HydrophobicContact CG-CD1 4.07Å; Q283-I287 VanDerWaalsContact O-CG1 3.32Å; Q283-I287 WeakPolarHBondContact O-CG1 3.38Å; Q283-I287 PolarHBondContact O-N 3.44Å; Q284-I287 PolarHBondContact O-N 2.77Å; I287-H290 PolarHBondContact O-N 3.34Å; I287-Q291 WeakPolarHBondContact O-CG 3.3Å; I287-Q291 PolarHBondContact O-N 3.07Å |
| 288 | Q | 92.5 | Very high | 91.5 | Very high | 116 Ų | 116 | 117.4 Ų | 117.4 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -45.2 | 178.1 | -178.5 | 169.1 | 67.4 | 0 | 0 | 112.2 | Q284 H285 Q286 H290 Q291 I292 | Q284-Q288 WeakPolarHBondContact O-CB 3.33Å; Q284-Q288 PolarHBondContact O-N 2.88Å; H285-Q288 PolarHBondContact O-N 3.24Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å; Q286-Q288 PolarHBondContact O-N 3.07Å; Q288-H290 VanDerWaalsContact C-N 3.32Å; Q288-H290 PolarHBondContact O-N 3.32Å; Q288-Q291 PolarHBondContact O-N 2.86Å; Q288-I292 HydrophobicContact CG-CD1 4.05Å; Q288-I292 WeakPolarHBondContact O-CG1 3.35Å; Q288-I292 PolarHBondContact O-N 2.77Å |
| 289 | Q | 91.3 | Very high | 91.4 | Very high | 116 Ų | 116 | 116 Ų | 116 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 175.6 | -72.2 | -161 | -11.6 | 0 | 0 | 112.1 | H285 Q286 Q291 I292 Q293 | H285-Q289 PolarHBondContact CE1-NE2 3.47Å; H285-Q289 PolarHBondContact NE2-NE2 3.48Å; H285-Q289 PolarHBondContact O-N 3.13Å; Q286-Q289 PolarHBondContact O-N 3.13Å; Q289-Q291 PolarHBondContact O-N 3.43Å; Q289-I292 PolarHBondContact O-N 3.47Å; Q289-Q293 PolarHBondContact O-N 3.24Å |
| 290 | H | 92.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 114.4 Ų | 114.4 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 176.3 | -165.5 | 68.7 | 0 | 0 | 0 | 112.5 | Q286 I287 Q288 Q293 Q294 | Q286-H290 PolarHBondContact O-N 2.65Å; I287-H290 PolarHBondContact O-N 3.34Å; Q288-H290 VanDerWaalsContact C-N 3.32Å; Q288-H290 PolarHBondContact O-N 3.32Å; H290-Q293 PolarHBondContact O-N 2.89Å; H290-Q294 PolarHBondContact CD2-NE2 2.72Å; H290-Q294 VanDerWaalsContact CD2-NE2 3.26Å; H290-Q294 PolarHBondContact NE2-NE2 2.83Å; H290-Q294 WeakPolarHBondContact O-CG 3.39Å; H290-Q294 PolarHBondContact O-N 3.02Å |
| 291 | Q | 92.3 | Very high | 91.3 | Very high | 126 Ų | 126 | 115.6 Ų | 115.6 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 172.4 | -74.6 | -177 | 8 | 0 | 0 | 112.7 | I287 Q288 Q289 Q293 Q294 Q295 | I287-Q291 WeakPolarHBondContact O-CG 3.3Å; I287-Q291 PolarHBondContact O-N 3.07Å; Q288-Q291 PolarHBondContact O-N 2.86Å; Q289-Q291 PolarHBondContact O-N 3.43Å; Q291-Q293 VanDerWaalsContact C-N 3.35Å; Q291-Q294 PolarHBondContact O-N 2.55Å; Q291-Q295 WeakPolarHBondContact O-CB 3.35Å; Q291-Q295 PolarHBondContact O-N 2.96Å |
| 292 | I | 93.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 114.9 Ų | 114.9 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176 | -68.9 | 164.8 | 0 | 0 | 0 | 110.2 | Q288 Q289 Q294 Q295 Q296 | Q288-I292 HydrophobicContact CG-CD1 4.05Å; Q288-I292 WeakPolarHBondContact O-CG1 3.35Å; Q288-I292 PolarHBondContact O-N 2.77Å; Q289-I292 PolarHBondContact O-N 3.47Å; I292-Q294 PolarHBondContact O-N 2.83Å; I292-Q295 PolarHBondContact O-N 2.72Å; I292-Q296 WeakPolarHBondContact O-CB 3.31Å; I292-Q296 PolarHBondContact O-N 3.49Å |
| 293 | Q | 91.1 | Very high | 91.1 | Very high | 122 Ų | 122 | 116.6 Ų | 116.6 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -41.8 | 178.4 | -170.9 | 174 | 61.4 | 0 | 0 | 112.5 | Q289 H290 Q291 Q296 M297 | Q289-Q293 PolarHBondContact O-N 3.24Å; H290-Q293 PolarHBondContact O-N 2.89Å; Q291-Q293 VanDerWaalsContact C-N 3.35Å; Q293-Q296 PolarHBondContact O-N 3.18Å; Q293-M297 PolarHBondContact O-N 2.77Å |
| 294 | Q | 90.4 | Very high | 90.9 | Very high | 112 Ų | 112 | 117.7 Ų | 117.7 | 52% | 0.523 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -39.5 | 173.3 | -72.1 | -173.5 | 15.5 | 0 | 0 | 112.5 | H290 Q291 I292 M297 Q298 | H290-Q294 PolarHBondContact CD2-NE2 2.72Å; H290-Q294 VanDerWaalsContact CD2-NE2 3.26Å; H290-Q294 PolarHBondContact NE2-NE2 2.83Å; H290-Q294 WeakPolarHBondContact O-CG 3.39Å; H290-Q294 PolarHBondContact O-N 3.02Å; Q291-Q294 PolarHBondContact O-N 2.55Å; I292-Q294 PolarHBondContact O-N 2.83Å; Q294-M297 WeakPolarHBondContact O-CB 3.3Å; Q294-M297 PolarHBondContact O-N 3.05Å; Q294-Q298 PolarHBondContact O-N 3.03Å |
| 295 | Q | 91.7 | Very high | 90.9 | Very high | 123 Ų | 123 | 116.9 Ų | 116.9 | 58% | 0.575 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.1 | -37.5 | 177.8 | -175.2 | 165.8 | 95.3 | 0 | 0 | 112.1 | Q291 I292 Q298 Q299 | Q291-Q295 WeakPolarHBondContact O-CB 3.35Å; Q291-Q295 PolarHBondContact O-N 2.96Å; I292-Q295 PolarHBondContact O-N 2.72Å; Q295-Q298 PolarHBondContact O-N 3.33Å; Q295-Q299 PolarHBondContact O-N 2.91Å |
| 296 | Q | 91.1 | Very high | 90.6 | Very high | 116 Ų | 116 | 119.8 Ų | 119.8 | 54% | 0.542 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -41.2 | 174.7 | -163.4 | 173.3 | 36.3 | 0 | 0 | 111.6 | I292 Q293 Q298 Q299 I300 | I292-Q296 WeakPolarHBondContact O-CB 3.31Å; I292-Q296 PolarHBondContact O-N 3.49Å; Q293-Q296 PolarHBondContact O-N 3.18Å; Q296-Q298 VanDerWaalsContact C-N 3.33Å; Q296-Q298 PolarHBondContact O-N 3.37Å; Q296-Q299 PolarHBondContact O-N 3.45Å; Q296-I300 HydrophobicContact CG-CD1 4.48Å; Q296-I300 WeakPolarHBondContact O-CG1 3.29Å; Q296-I300 PolarHBondContact O-N 2.86Å |
| 297 | M | 88.4 | Confident | 90.4 | Very high | 125 Ų | 125 | 119.7 Ų | 119.7 | 62% | 0.616 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -55.7 | -43.9 | 169.5 | -98.8 | -82.6 | -75.5 | 0 | 0 | 112.5 | Q293 Q294 Q301 | Q293-M297 PolarHBondContact O-N 2.77Å; Q294-M297 WeakPolarHBondContact O-CB 3.3Å; Q294-M297 PolarHBondContact O-N 3.05Å; M297-Q301 WeakPolarHBondContact O-CB 3.32Å; M297-Q301 PolarHBondContact O-N 2.88Å |
| 298 | Q | 89.6 | Confident | 90 | Very high | 121 Ų | 121 | 120.2 Ų | 120.2 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -37.2 | 175.9 | -75.7 | -172.8 | -8.9 | 0 | 0 | 113 | Q294 Q295 Q296 Q301 Q302 | Q294-Q298 PolarHBondContact O-N 3.03Å; Q295-Q298 PolarHBondContact O-N 3.33Å; Q296-Q298 VanDerWaalsContact C-N 3.33Å; Q296-Q298 PolarHBondContact O-N 3.37Å; Q298-Q301 PolarHBondContact O-N 3.11Å; Q298-Q302 WeakPolarHBondContact O-CB 3.4Å; Q298-Q302 VanDerWaalsContact O-CG 3.31Å; Q298-Q302 WeakPolarHBondContact O-CG 3.44Å; Q298-Q302 PolarHBondContact O-N 3.08Å |
| 299 | Q | 90.2 | Very high | 89.7 | Confident | 118 Ų | 118 | 117.8 Ų | 117.8 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -45.1 | 175.8 | -74.5 | 179.5 | -6.8 | 0 | 0 | 111.9 | Q295 Q296 Q301 Q302 Q303 | Q295-Q299 PolarHBondContact O-N 2.91Å; Q296-Q299 PolarHBondContact O-N 3.45Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å; Q299-Q301 PolarHBondContact O-N 3.43Å; Q299-Q302 PolarHBondContact O-N 2.74Å; Q299-Q303 WeakPolarHBondContact O-CB 3.17Å; Q299-Q303 PolarHBondContact O-N 2.76Å |
| 300 | I | 92.3 | Very high | 89.3 | Confident | 105 Ų | 105 | 118.5 Ų | 118.5 | 54% | 0.538 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.9 | -43.8 | 176.1 | -68.1 | 166.8 | 0 | 0 | 0 | 110.6 | Q296 Q302 Q303 Y304 | Q296-I300 HydrophobicContact CG-CD1 4.48Å; Q296-I300 WeakPolarHBondContact O-CG1 3.29Å; Q296-I300 PolarHBondContact O-N 2.86Å; I300-Q302 PolarHBondContact O-N 3.36Å; I300-Q303 PolarHBondContact O-N 3.42Å; I300-Y304 PolarHBondContact O-N 3.2Å |
| 301 | Q | 88.9 | Confident | 88.7 | Confident | 142 Ų | 142 | 119.9 Ų | 119.9 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -38.4 | 177.6 | -169.1 | 175.7 | 98.5 | 0 | 0 | 112.7 | M297 Q298 Q299 H305 | M297-Q301 WeakPolarHBondContact O-CB 3.32Å; M297-Q301 PolarHBondContact O-N 2.88Å; Q298-Q301 PolarHBondContact O-N 3.11Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å; Q299-Q301 PolarHBondContact O-N 3.43Å; Q301-H305 PolarHBondContact O-N 3.26Å |
| 302 | Q | 88.3 | Confident | 88.3 | Confident | 127 Ų | 127 | 120.6 Ų | 120.6 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -39.6 | 173.9 | -74.7 | 172.9 | 41 | 0 | 0 | 112.3 | Q298 Q299 I300 H305 Q306 | Q298-Q302 WeakPolarHBondContact O-CB 3.4Å; Q298-Q302 VanDerWaalsContact O-CG 3.31Å; Q298-Q302 WeakPolarHBondContact O-CG 3.44Å; Q298-Q302 PolarHBondContact O-N 3.08Å; Q299-Q302 PolarHBondContact O-N 2.74Å; I300-Q302 PolarHBondContact O-N 3.36Å; Q302-H305 PolarHBondContact O-N 3.38Å; Q302-Q306 WeakPolarHBondContact O-CB 3.38Å; Q302-Q306 PolarHBondContact O-N 3.04Å |
| 303 | Q | 88 | Confident | 87.8 | Confident | 136 Ų | 136 | 122.2 Ų | 122.2 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.8 | -43.2 | 176.5 | -174.4 | 175 | -8.8 | 0 | 0 | 111.4 | Q299 I300 H305 Q306 Q307 | Q299-Q303 WeakPolarHBondContact O-CB 3.17Å; Q299-Q303 PolarHBondContact O-N 2.76Å; I300-Q303 PolarHBondContact O-N 3.42Å; Q303-H305 PolarHBondContact O-N 3.4Å; Q303-Q306 PolarHBondContact O-N 3.05Å; Q303-Q307 WeakPolarHBondContact O-CB 3.49Å; Q303-Q307 PolarHBondContact O-N 2.82Å |
| 304 | Y | 89 | Confident | 87.4 | Confident | 149 Ų | 149 | 121.4 Ų | 121.4 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | 175.5 | -162.8 | -86.7 | 0 | 0 | 0 | 112.2 | I300 Q307 Q308 | I300-Y304 PolarHBondContact O-N 3.2Å; Y304-Q307 PolarHBondContact O-N 2.85Å; Y304-Q308 HydrophobicContact CD1-CG 4.49Å; Y304-Q308 HydrophobicContact CE1-CG 4.3Å; Y304-Q308 PolarHBondContact O-N 3.38Å; Y304-Q308 VanDerWaalsContact O-N 3.08Å |
| 305 | H | 89.2 | Confident | 86.9 | Confident | 117 Ų | 117 | 122 Ų | 122 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 174.6 | -177.6 | 55.3 | 0 | 0 | 0 | 112.4 | Q301 Q302 Q303 Q307 Q308 V309 | Q301-H305 PolarHBondContact O-N 3.26Å; Q302-H305 PolarHBondContact O-N 3.38Å; Q303-H305 PolarHBondContact O-N 3.4Å; H305-Q307 VanDerWaalsContact C-N 3.3Å; H305-Q307 PolarHBondContact O-N 3.44Å; H305-Q308 PolarHBondContact O-N 3.46Å; H305-V309 WeakPolarHBondContact O-CG2 3.3Å; H305-V309 PolarHBondContact O-N 2.82Å |
| 306 | Q | 86.3 | Confident | 86.3 | Confident | 143 Ų | 143 | 122.4 Ų | 122.4 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.4 | -38 | 175.5 | -170.2 | 175.2 | 114 | 0 | 0 | 111.7 | Q302 Q303 V309 Q310 | Q302-Q306 WeakPolarHBondContact O-CB 3.38Å; Q302-Q306 PolarHBondContact O-N 3.04Å; Q303-Q306 PolarHBondContact O-N 3.05Å; Q306-V309 PolarHBondContact O-N 3.42Å; Q306-Q310 WeakPolarHBondContact O-CB 3.27Å; Q306-Q310 PolarHBondContact O-N 2.99Å |
| 307 | Q | 87.9 | Confident | 85.7 | Confident | 111 Ų | 111 | 120.9 Ų | 120.9 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.3 | -45.2 | 175.7 | -168.3 | 163.8 | 38.3 | 0 | 0 | 111.9 | Q303 Y304 H305 V309 Q310 E311 | Q303-Q307 WeakPolarHBondContact O-CB 3.49Å; Q303-Q307 PolarHBondContact O-N 2.82Å; Y304-Q307 PolarHBondContact O-N 2.85Å; H305-Q307 VanDerWaalsContact C-N 3.3Å; H305-Q307 PolarHBondContact O-N 3.44Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 3.37Å; Q307-Q310 WeakPolarHBondContact O-CB 3.42Å; Q307-Q310 PolarHBondContact O-N 2.91Å; Q307-Q310 VanDerWaalsContact O-N 3.12Å; Q307-E311 PolarHBondContact O-N 3.44Å |
| 308 | Q | 86.5 | Confident | 85 | Confident | 103 Ų | 103 | 120.7 Ų | 120.7 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.1 | -40.8 | 173.4 | -76.5 | -167.3 | -31.5 | 0 | 0 | 113.1 | Y304 H305 Q310 E311 Q312 | Y304-Q308 HydrophobicContact CD1-CG 4.49Å; Y304-Q308 HydrophobicContact CE1-CG 4.3Å; Y304-Q308 PolarHBondContact O-N 3.38Å; Y304-Q308 VanDerWaalsContact O-N 3.08Å; H305-Q308 PolarHBondContact O-N 3.46Å; Q308-Q310 VanDerWaalsContact C-N 3.29Å; Q308-Q310 PolarHBondContact O-N 3.31Å; Q308-E311 PolarHBondContact O-N 3.13Å; Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.02Å |
| 309 | V | 85.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 120.8 Ų | 120.8 | 39% | 0.394 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -37.7 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | H305 Q306 Q307 Q313 | H305-V309 WeakPolarHBondContact O-CG2 3.3Å; H305-V309 PolarHBondContact O-N 2.82Å; Q306-V309 PolarHBondContact O-N 3.42Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 3.37Å; V309-Q313 VanDerWaalsContact O-CB 3.28Å; V309-Q313 WeakPolarHBondContact O-CB 3.47Å; V309-Q313 PolarHBondContact O-N 3.23Å |
| 310 | Q | 82.9 | Confident | 83.1 | Confident | 131 Ų | 131 | 121.4 Ų | 121.4 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.5 | -41.7 | 177.6 | -165.3 | 170.5 | 29.9 | 0 | 0 | 112.4 | Q306 Q307 Q308 Q313 L314 | Q306-Q310 WeakPolarHBondContact O-CB 3.27Å; Q306-Q310 PolarHBondContact O-N 2.99Å; Q307-Q310 WeakPolarHBondContact O-CB 3.42Å; Q307-Q310 PolarHBondContact O-N 2.91Å; Q307-Q310 VanDerWaalsContact O-N 3.12Å; Q308-Q310 VanDerWaalsContact C-N 3.29Å; Q308-Q310 PolarHBondContact O-N 3.31Å; Q310-Q313 PolarHBondContact O-N 3.11Å; Q310-L314 WeakPolarHBondContact O-CB 3.44Å; Q310-L314 PolarHBondContact O-N 3.5Å |
| 311 | E | 80.8 | Confident | 81.8 | Confident | 129 Ų | 129 | 121.3 Ų | 121.3 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.7 | -45.8 | 172.1 | -73.1 | -174.8 | 106.3 | 0 | 0 | 111.9 | Q307 Q308 Q313 L314 Q315 | Q307-E311 PolarHBondContact O-N 3.44Å; Q308-E311 PolarHBondContact O-N 3.13Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 3.4Å; E311-L314 PolarHBondContact O-N 3.24Å; E311-Q315 WeakPolarHBondContact O-CB 3.45Å; E311-Q315 PolarHBondContact O-N 3.43Å |
| 312 | Q | 83.8 | Confident | 80.4 | Confident | 140 Ų | 140 | 121.8 Ų | 121.8 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.7 | -39.3 | 177.8 | -176.8 | 172 | 85 | 0 | 0 | 111.8 | Q308 Q316 | Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.02Å; Q312-Q316 WeakPolarHBondContact O-CB 3.48Å; Q312-Q316 PolarHBondContact O-N 3.18Å |
| 313 | Q | 82.9 | Confident | 79 | Confident | 132 Ų | 132 | 123.2 Ų | 123.2 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.8 | -38 | 175.7 | -170.2 | 169.7 | 98.7 | 0 | 0 | 112.2 | V309 Q310 E311 Q316 M317 | V309-Q313 VanDerWaalsContact O-CB 3.28Å; V309-Q313 WeakPolarHBondContact O-CB 3.47Å; V309-Q313 PolarHBondContact O-N 3.23Å; Q310-Q313 PolarHBondContact O-N 3.11Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 3.4Å; Q313-Q316 PolarHBondContact O-N 3.13Å; Q313-M317 WeakPolarHBondContact O-CB 3.21Å; Q313-M317 PolarHBondContact O-N 3.38Å |
| 314 | L | 81.3 | Confident | 77.4 | Confident | 105 Ų | 105 | 124.8 Ų | 124.8 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.2 | -42.2 | 174.2 | -162.3 | 81.9 | 0 | 0 | 0 | 111.4 | Q310 E311 M317 Q318 | Q310-L314 WeakPolarHBondContact O-CB 3.44Å; Q310-L314 PolarHBondContact O-N 3.5Å; E311-L314 PolarHBondContact O-N 3.24Å; L314-M317 HydrophobicContact CD1-CE 3.61Å; L314-M317 HydrophobicContact CG-CE 4.27Å; L314-M317 PolarHBondContact O-N 2.86Å; L314-Q318 WeakPolarHBondContact O-CB 3Å; L314-Q318 PolarHBondContact O-N 3.42Å |
| 315 | Q | 81.1 | Confident | 75.5 | Confident | 124 Ų | 124 | 124.2 Ų | 124.2 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.2 | -34.4 | 178 | -172.6 | 156 | 80.1 | 0 | 0 | 112.4 | E311 Q318 Q319 | E311-Q315 WeakPolarHBondContact O-CB 3.45Å; E311-Q315 PolarHBondContact O-N 3.43Å; Q315-Q318 PolarHBondContact O-N 3.04Å; Q315-Q319 PolarHBondContact O-N 2.94Å |
| 316 | Q | 79.4 | Confident | 73.4 | Confident | 131 Ų | 131 | 124.6 Ų | 124.6 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.5 | -42.1 | 171.3 | -173.6 | 170 | 92.8 | 0 | 0 | 111.8 | Q312 Q313 Q318 Q319 Q320 | Q312-Q316 WeakPolarHBondContact O-CB 3.48Å; Q312-Q316 PolarHBondContact O-N 3.18Å; Q313-Q316 PolarHBondContact O-N 3.13Å; Q316-Q318 VanDerWaalsContact C-N 3.35Å; Q316-Q319 PolarHBondContact O-N 3.49Å; Q316-Q320 PolarHBondContact O-N 2.77Å |
| 317 | M | 77.1 | Confident | 71.5 | Confident | 84 Ų | 84 | 122.7 Ų | 122.7 | 41% | 0.414 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.5 | -38.9 | 173.1 | 177.6 | -91.8 | -70.9 | 0 | 0 | 112 | Q313 L314 Q320 I321 | Q313-M317 WeakPolarHBondContact O-CB 3.21Å; Q313-M317 PolarHBondContact O-N 3.38Å; L314-M317 HydrophobicContact CD1-CE 3.61Å; L314-M317 HydrophobicContact CG-CE 4.27Å; L314-M317 PolarHBondContact O-N 2.86Å; M317-Q320 WeakPolarHBondContact O-CB 3.19Å; M317-Q320 PolarHBondContact O-N 3.24Å; M317-Q320 VanDerWaalsContact O-N 3.1Å; M317-I321 PolarHBondContact O-N 3.43Å; M317-I321 HydrophobicContact SD-CD1 3.48Å; M317-I321 WeakPolarHBondContact SD-CD1 3.16Å; M317-I321 HydrophobicContact SD-CG1 4.27Å |
| 318 | Q | 74.8 | Confident | 68.9 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64 | -41.9 | 174.5 | -169 | 175 | 92.8 | 0 | 0 | 112.2 | L314 Q315 Q316 Q320 I321 Q322 | L314-Q318 WeakPolarHBondContact O-CB 3Å; L314-Q318 PolarHBondContact O-N 3.42Å; Q315-Q318 PolarHBondContact O-N 3.04Å; Q316-Q318 VanDerWaalsContact C-N 3.35Å; Q318-Q320 PolarHBondContact O-N 3.06Å; Q318-I321 PolarHBondContact O-N 3.01Å; Q318-Q322 WeakPolarHBondContact O-CB 3.42Å; Q318-Q322 PolarHBondContact O-N 3.44Å |
| 319 | Q | 72 | Confident | 66.7 | Low | 124 Ų | 124 | 126 Ų | 126 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62 | -29.6 | 171.3 | -74.6 | -176.8 | 7.9 | 0 | 0 | 113 | Q315 Q316 Q323 | Q315-Q319 PolarHBondContact O-N 2.94Å; Q316-Q319 PolarHBondContact O-N 3.49Å; Q319-Q323 PolarHBondContact O-N 3.46Å; Q319-Q323 PolarHBondContact O-NE2 3.26Å |
| 320 | Q | 66.4 | Low | 64.2 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 61% | 0.612 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.3 | -42.7 | 178.1 | -155.8 | 168.6 | 16.2 | 0 | 0 | 111.5 | Q316 M317 Q318 Q322 Q323 Q324 | Q316-Q320 PolarHBondContact O-N 2.77Å; M317-Q320 WeakPolarHBondContact O-CB 3.19Å; M317-Q320 PolarHBondContact O-N 3.24Å; M317-Q320 VanDerWaalsContact O-N 3.1Å; Q318-Q320 PolarHBondContact O-N 3.06Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.93Å; Q320-Q323 PolarHBondContact O-N 2.94Å; Q320-Q324 PolarHBondContact O-N 2.93Å |
| 321 | I | 66.3 | Low | 61.7 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 53% | 0.528 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.9 | -41.7 | 172 | -68.5 | 177.4 | 0 | 0 | 0 | 111 | M317 Q318 Q323 Q324 | M317-I321 PolarHBondContact O-N 3.43Å; M317-I321 HydrophobicContact SD-CD1 3.48Å; M317-I321 WeakPolarHBondContact SD-CD1 3.16Å; M317-I321 HydrophobicContact SD-CG1 4.27Å; Q318-I321 PolarHBondContact O-N 3.01Å; I321-Q323 PolarHBondContact O-N 3.19Å; I321-Q324 PolarHBondContact O-N 3.02Å |
| 322 | Q | 59 | Low | 59.4 | Low | 152 Ų | 152 | 133.1 Ų | 133.1 | 71% | 0.71 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -59.2 | -29 | 179.2 | -162.4 | 76.6 | 87.7 | 0 | 0 | 113 | Q318 Q320 | Q318-Q322 WeakPolarHBondContact O-CB 3.42Å; Q318-Q322 PolarHBondContact O-N 3.44Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.93Å |
| 323 | Q | 58.8 | Low | 56.8 | Low | 156 Ų | 156 | 134.7 Ų | 134.7 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -86.7 | -17.4 | 177.8 | -74.3 | 170.8 | 90 | 0 | 0 | 113.9 | Q319 Q320 I321 | Q319-Q323 PolarHBondContact O-N 3.46Å; Q319-Q323 PolarHBondContact O-NE2 3.26Å; Q320-Q323 PolarHBondContact O-N 2.94Å; I321-Q323 PolarHBondContact O-N 3.19Å |
| 324 | Q | 53.9 | Low | 55.1 | Low | 170 Ų | 170 | 132.5 Ų | 132.5 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -93.6 | -3.3 | -173.5 | -157 | 169.4 | 18.4 | 0 | 0 | 113.8 | Q320 I321 | Q320-Q324 PolarHBondContact O-N 2.93Å; I321-Q324 PolarHBondContact O-N 3.02Å |
| 325 | N | 49.9 | Very low | 52.6 | Low | 136 Ų | 136 | 135.9 Ų | 135.9 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -120.1 | 82.1 | -176.3 | -154.8 | 5 | 0 | 0 | 0 | 112.4 | ||||
| 326 | V | 44.1 | Very low | 50.3 | Low | 125 Ų | 125 | 136.2 Ų | 136.2 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | trans | -134.2 | 115.3 | 171.1 | 174.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 327 | P | 46.9 | Very low | 47.8 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | -145.3 | 132.7 | 119.3 | 34.6 | -19.2 | 0 | 0 | 0 | 115.4 | |||||
| 328 | Q | 32.9 | Very low | 46.7 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | 64.1 | 150.1 | 151.4 | -62.4 | -68.6 | -5.3 | 0 | 0 | 119.6 | ||||
| 329 | P | 40.8 | Very low | 44.5 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | trans | -105.7 | 142.3 | -176 | 38.2 | -29.9 | 0 | 0 | 0 | 113.8 | ||||
| 330 | E | 32.4 | Very low | 42.5 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 94% | 0.935 | 74% | 0.74 | S | S | * | * | trans | -132.6 | 156.1 | 150.6 | -76.9 | -155 | 113.8 | 0 | 0 | 110.9 | ||||
| 331 | T | 30.8 | Very low | 40.9 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -90.3 | 144.4 | -167.4 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 332 | T | 31.8 | Very low | 39.2 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | -173.1 | 157.1 | 118.6 | -73.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 333 | Q | 31.1 | Very low | 37.9 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -96.9 | -177.7 | -174.1 | -100.6 | -172.2 | 15.1 | 0 | 0 | 112.9 | ||||
| 334 | P | 46.9 | Very low | 36.4 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 56% | 0.558 | 76% | 0.755 | S | S | * | * | cis | -139.7 | -177.1 | -26.3 | 34.4 | -14.8 | 0 | 0 | 0 | 115.2 | ||||
| 335 | Q | 28.4 | Very low | 35.5 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 70.5 | 155.6 | 144.6 | -98.2 | 172.4 | -34.6 | 0 | 0 | 119.4 | ||||
| 336 | V | 32.5 | Very low | 34.6 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | cis | -133.1 | 169 | 7.8 | -161.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 337 | Q | 28 | Very low | 33.9 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -116.2 | -172.4 | 179.2 | -101.6 | -168.2 | 10.4 | 0 | 0 | 110.9 | ||||
| 338 | P | 52.1 | Low | 33 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -141.8 | 177.8 | -44 | 40.9 | -23.8 | 0 | 0 | 0 | 115.5 | ||||
| 339 | N | 29.4 | Very low | 32.9 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 77.5 | 158.9 | 138.4 | -120.2 | -13.8 | 0 | 0 | 0 | 125.5 | ||||
| 340 | L | 29.9 | Very low | 32.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 96.7 | 156.6 | -101 | 69.5 | 0 | 0 | 0 | 122.8 | ||||
| 341 | Q | 32.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 61.8 | 147.2 | 100.7 | -161.7 | 166.7 | 18.4 | 0 | 0 | 123 | |||||
| 342 | Q | 31.4 | Very low | 33.6 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 83.6 | 98.9 | 164 | -90 | 168.4 | 126.4 | 0 | 0 | 120.9 | ||||
| 343 | Q | 31.7 | Very low | 34.1 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | 11.9 | 134.6 | 111.5 | -170.6 | -175.4 | 29.7 | 0 | 0 | 118.7 | |||||
| 344 | T | 27.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | 157.4 | 127.3 | 126.6 | -70 | 0 | 0 | 0 | 0 | 114 | |||||
| 345 | Q | 33.4 | Very low | 33.5 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 44.7 | 132.4 | 155 | -62.2 | 163.5 | 25.5 | 0 | 0 | 120.4 | ||||
| 346 | S | 31.3 | Very low | 33.4 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | 88.2 | 109.2 | 30.4 | 82.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 347 | F | 30.3 | Very low | 34.1 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 93% | 0.934 | 75% | 0.752 | S | S | * | * | trans | -168.5 | 137.9 | 145.2 | -107.3 | -75.6 | 0 | 0 | 0 | 108.5 | ||||
| 348 | G | 27.6 | Very low | 35.2 | Very low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | cis | 177.6 | -177 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 349 | A | 31.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | 47.2 | 135 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 350 | Y | 28.4 | Very low | 33.7 | Very low | 218 Ų | 218 | 134.6 Ų | 134.6 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | cis | -178.8 | 164.5 | -4.4 | -120.6 | -92.4 | 0 | 0 | 0 | 104.3 | ||||
| 351 | P | 41.5 | Very low | 33.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -117.7 | -175.4 | -28.8 | 11.1 | 15.6 | 0 | 0 | 0 | 113.9 | ||||
| 352 | P | 47.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -98.4 | -166.3 | 178.5 | 44 | -38.1 | 0 | 0 | 0 | 112.5 | ||||
| 353 | P | 42.3 | Very low | 33 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -146.3 | -170.5 | 18.1 | 46.7 | -25.1 | 0 | 0 | 0 | 120.2 | ||||
| 354 | D | 25 | Very low | 32.9 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 72 | 123.1 | 160 | -58.3 | -25.1 | 0 | 0 | 0 | 121.4 | ||||
| 355 | P | 42.1 | Very low | 32.7 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -123.1 | 128.1 | 174.8 | 38.1 | -24.9 | 0 | 0 | 0 | 115.7 | ||||
| 356 | L | 25.9 | Very low | 32.3 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | 179 | 151.1 | 153.9 | -98.7 | 175.7 | 0 | 0 | 0 | 107.8 | ||||
| 357 | P | 45.9 | Very low | 32 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -116.9 | -122.4 | -38.5 | 34.6 | -16 | 0 | 0 | 0 | 109.1 | ||||
| 358 | P | 51 | Low | 31.7 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -111.9 | -175 | -75.1 | 35.3 | -19.6 | 0 | 0 | 0 | 114.6 | |||||
| 359 | D | 25.9 | Very low | 32.2 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 93 | 158.3 | 139.3 | -149.3 | 15.4 | 0 | 0 | 0 | 121.5 | ||||
| 360 | S | 25.3 | Very low | 32.1 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 70.8 | 150.3 | 180 | 75.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 361 | G | 27.3 | Very low | 32 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -134.2 | 179 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 362 | T | 26.6 | Very low | 31.2 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 95% | 0.951 | 75% | 0.752 | S | S | * | * | trans | -135.2 | 170.2 | -175.5 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 363 | S | 24.5 | Very low | 30 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -135.8 | -177.5 | -163.5 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 364 | K | 28.7 | Very low | 30 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | 85.3 | 150.1 | -178.4 | -61.7 | 149.2 | 150.3 | -79 | 0 | 114.8 | ||||
| 365 | E | 25.3 | Very low | 30 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | -148 | 151 | 3.5 | -129.7 | 146.6 | 63.9 | 0 | 0 | 107.7 | ||||
| 366 | D | 24.1 | Very low | 29.3 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | cis | -139.9 | -147.8 | 4.7 | -162.3 | 33.8 | 0 | 0 | 0 | 108.2 | ||||
| 367 | T | 24.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -159 | -169.7 | 4.8 | -157.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 368 | Q | 24 | Very low | 28.1 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -135.1 | -178.3 | -173.5 | -100.3 | -167.4 | -11.6 | 0 | 0 | 112.5 | ||||
| 369 | P | 38.9 | Very low | 26.7 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | cis | -111 | 150.7 | 4 | 11.1 | 14.5 | 0 | 0 | 0 | 113.8 | ||||
| 370 | M | 27.9 | Very low | 26.5 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | 67.2 | 132.8 | 64.9 | -170.4 | 177.7 | 167.7 | 0 | 0 | 111.6 | |||||
| 371 | E | 26.7 | Very low | 26.3 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | cis | -124.5 | -126.9 | 24.8 | -155.7 | -168.7 | -110.6 | 0 | 0 | 114.4 | H373 | E371-H373 IonicContact OE2-CD2 2.77Å; E371-H373 PolarHBondContact OE2-CD2 3.46Å | ||
| 372 | T | 24.6 | Very low | 26 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -151.8 | 162.6 | 14.4 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 373 | H | 24.2 | Very low | 25.8 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | trans | -81.7 | 175.3 | -175.8 | -93.7 | -85.3 | 0 | 0 | 0 | 118.6 | E371 | E371-H373 IonicContact OE2-CD2 2.77Å; E371-H373 PolarHBondContact OE2-CD2 3.46Å | ||
| 374 | P | 42.2 | Very low | 26 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -132.3 | -150.8 | -14.8 | 42.2 | -22.2 | 0 | 0 | 0 | 111.6 | ||||
| 375 | E | 24.8 | Very low | 26 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | -161.3 | -178.6 | -10.6 | -137.8 | 160.7 | 104.7 | 0 | 0 | 112.6 | ||||
| 376 | A | 26.5 | Very low | 25.8 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 36.5 | 139.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 377 | Q | 24.3 | Very low | 26.5 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | cis | 87.9 | 127.4 | 34 | -72.7 | -162.3 | 43.7 | 0 | 0 | 118 | ||||
| 378 | T | 22.4 | Very low | 26.3 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | 61.8 | 153.2 | 163.9 | 56.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 379 | G | 21.6 | Very low | 26.4 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | 171 | -177.4 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 380 | D | 21 | Very low | 25.8 | Very low | 179 Ų | 179 | 124.9 Ų | 124.9 | 96% | 0.957 | 75% | 0.75 | S | S | * | * | trans | 76.8 | 164.3 | 169.7 | -132 | -30 | 0 | 0 | 0 | 120 | ||||
| 381 | G | 22.6 | Very low | 25.7 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -101.1 | -145.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 382 | S | 21.1 | Very low | 25.7 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | cis | -165.1 | 179.5 | 4.3 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 383 | A | 21.8 | Very low | 25.8 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 77.8 | 132.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 384 | L | 29.3 | Very low | 26 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | -69.2 | 158.4 | 154.3 | -75.8 | 161.6 | 0 | 0 | 0 | 110.1 | ||||
| 385 | P | 28.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -153.2 | 169.8 | 86.1 | 44 | -26 | 0 | 0 | 0 | 117.6 | |||||
| 386 | D | 21.6 | Very low | 25.2 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -74.4 | 179.4 | 154.8 | -131.6 | -13.4 | 0 | 0 | 0 | 109.7 | ||||
| 387 | P | 37.8 | Very low | 26.2 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -139.3 | -173.3 | -12.9 | 41.6 | -23.6 | 0 | 0 | 0 | 115.5 | ||||
| 388 | S | 21.4 | Very low | 26.7 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 84.8 | 139.9 | 141.7 | 76 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 389 | S | 25.7 | Very low | 27 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 32.4 | 148 | 146 | -58.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 390 | E | 25.3 | Very low | 27.4 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | cis | -139 | -138 | 17.1 | -144.5 | -160.6 | 109.8 | 0 | 0 | 111.9 | ||||
| 391 | K | 25.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 116.3 Ų | 116.3 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | cis | -158.4 | 144.9 | 8.2 | -159.5 | 124.8 | -166.7 | 70.1 | 0 | 112.8 | ||||
| 392 | V | 27.1 | Very low | 28 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | 21.2 | 140.7 | 146 | 174.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 393 | A | 26.3 | Very low | 29.1 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -147.9 | 147.8 | 10.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 394 | A | 28.6 | Very low | 29.5 | Very low | 96 Ų | 96 | 120.2 Ų | 120.2 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | 71.7 | 142.9 | 90.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 395 | T | 26.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -140.2 | 155.7 | 17.8 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 396 | S | 25.1 | Very low | 30 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -79.9 | -170.8 | 168.6 | -32.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 397 | P | 45.7 | Very low | 30.4 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -105.9 | -172.4 | 22.9 | 5.5 | 20.4 | 0 | 0 | 0 | 113.1 | ||||
| 398 | L | 34.8 | Very low | 30.6 | Very low | 154 Ų | 154 | 113.6 Ų | 113.6 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | cis | -164.2 | -165.7 | -29.1 | -102.3 | 169.2 | 0 | 0 | 0 | 105.6 | ||||
| 399 | D | 29.6 | Very low | 30.9 | Very low | 141 Ų | 141 | 116 Ų | 116 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | cis | -154.7 | -157.1 | 11.1 | -145.7 | -66.9 | 0 | 0 | 0 | 111 | ||||
| 400 | A | 30.1 | Very low | 30.9 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -103.8 | 166.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 401 | G | 25.9 | Very low | 31 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | cis | 177.8 | 159 | -4.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 402 | D | 29.3 | Very low | 31.2 | Very low | 160 Ų | 160 | 112.3 Ų | 112.3 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -87.5 | -170.5 | -180 | -115.8 | -40.4 | 0 | 0 | 0 | 112.1 | ||||
| 403 | P | 44.2 | Very low | 31.5 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | cis | -140.4 | -175 | 14.6 | 40.9 | -19.3 | 0 | 0 | 0 | 118.2 | ||||
| 404 | A | 30.5 | Very low | 31.5 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | trans | -79.5 | -163.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 405 | P | 41.9 | Very low | 31.5 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | cis | -150.3 | -171.3 | 14.2 | 46.3 | -24.7 | 0 | 0 | 0 | 119.2 | ||||
| 406 | A | 26.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | 77.5 | 160.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 407 | A | 29.5 | Very low | 31.9 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -99.7 | -164 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 408 | P | 43.1 | Very low | 31.2 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 53% | 0.526 | 70% | 0.699 | S | S | . | * | cis | -138.2 | -170.3 | 2.2 | 37.5 | -15.4 | 0 | 0 | 0 | 115.9 | ||||
| 409 | R | 27.4 | Very low | 30.8 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 59% | 0.585 | 71% | 0.706 | S | S | * | * | trans | 163.6 | 178.9 | 131.8 | -84.3 | 165.9 | -158.4 | 97 | 2.6 | 117.1 | R901 L902 | R409-R901 CarbonylContact C-O 3.4Å; R409-R901 VanDerWaalsContact CB-O 3.27Å; R409-R901 WeakPolarHBondContact CB-O 3.34Å; R409-R901 VanDerWaalsContact CG-C 3.48Å; R409-R901 WeakPolarHBondContact CG-O 3.49Å; R409-L902 VanDerWaalsContact CB-C 3.4Å; R409-L902 WeakPolarHBondContact CD-O 3.44Å | ||
| 410 | R | 26.7 | Very low | 31 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 49% | 0.487 | 71% | 0.706 | S | S | . | * | trans | -160.2 | 141.5 | -167 | 171.5 | -88.8 | -66.7 | 150.1 | -9.6 | 117.5 | R901 L902 E903 | R410-R901 CarbonylContact C-O 3.18Å; R410-R901 PolarHBondContact N-O 3.4Å; R410-R901 CarbonylContact O-C 3.57Å; R410-R901 VanDerWaalsContact O-C 3.3Å; R410-L902 VanDerWaalsContact C-CA 3.49Å; R410-L902 WeakPolarHBondContact O-CA 3.39Å; R410-L902 WeakPolarHBondContact O-CB 3.48Å; R410-L902 PolarHBondContact O-N 2.95Å; R410-E903 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 411 | S | 26.8 | Very low | 31.4 | Very low | 35 Ų | 35 | 125 Ų | 125 | 25% | 0.245 | 70% | 0.704 | C | S | . | * | trans | 85.6 | 122.1 | 167.6 | 81.9 | 0 | 0 | 0 | 0 | 124.4 | L902 E903 | S411-L902 WeakPolarHBondContact O-CB 3.43Å; S411-L902 WeakPolarHBondContact O-CD2 3.38Å; S411-E903 WeakPolarHBondContact CA-OE2 3.43Å; S411-E903 PolarHBondContact N-OE1 3.03Å; S411-E903 PolarHBondContact N-OE2 2.95Å | ||
| 412 | R | 30.6 | Very low | 31.4 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | 143.1 | 135.6 | 86.6 | -131.3 | -177.8 | -176.3 | 178.7 | 2.6 | 116 | E903 | R412-E903 PolarHBondContact N-OE2 3Š| |||
| 413 | R | 32.4 | Very low | 31.2 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | 78.3 | 147.3 | 158.4 | -59.6 | -167 | -170.5 | -77.8 | 6.8 | 117.4 | ||||
| 414 | L | 27 | Very low | 31.6 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | cis | -156.7 | -173.7 | 4.6 | -120.7 | 166.4 | 0 | 0 | 0 | 112.6 | ||||
| 415 | S | 27.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -14 | 136.6 | 173.2 | -61.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 416 | R | 33.7 | Very low | 33.2 | Very low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | 85.1 | 62.8 | 51.2 | -167 | -123.9 | -175.7 | -178.6 | 1.7 | 116 | |||||
| 417 | E | 26.8 | Very low | 33.3 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -153.8 | 159.9 | 152.1 | -89.8 | 109.9 | -145.9 | 0 | 0 | 109.2 | ||||
| 418 | G | 30.7 | Very low | 33.3 | Very low | 59 Ų | 59 | 129 Ų | 129 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | cis | 143.1 | 44.6 | -9.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 419 | Q | 26.7 | Very low | 32.4 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 94% | 0.944 | 72% | 0.717 | S | S | * | * | trans | -170.6 | 163.1 | 160.7 | -110.9 | 146.3 | 111.2 | 0 | 0 | 115.6 | ||||
| 420 | S | 33.5 | Very low | 32.3 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -131.8 | 146.6 | 168.4 | 167.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 421 | P | 39.1 | Very low | 32.3 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -139 | 133.8 | 157.9 | 33.7 | -16.4 | 0 | 0 | 0 | 116.1 | ||||
| 422 | L | 25.6 | Very low | 32.5 | Very low | 173 Ų | 173 | 142 Ų | 142 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | 64.1 | 124.7 | 139.3 | -56.1 | 169 | 0 | 0 | 0 | 121.2 | ||||
| 423 | G | 24.9 | Very low | 32.5 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -97.2 | -141.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 424 | P | 52.9 | Low | 32.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | cis | -124.4 | -139.2 | -10.5 | 43.7 | -25.7 | 0 | 0 | 0 | 109.2 | ||||
| 425 | P | 53.2 | Low | 32.2 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -118.4 | -164.7 | -28.9 | 41.7 | -25.9 | 0 | 0 | 0 | 111.6 | ||||
| 426 | P | 51.5 | Low | 32.3 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | cis | -122 | -160.4 | -6.5 | 44.2 | -28.2 | 0 | 0 | 0 | 112 | ||||
| 427 | G | 29.6 | Very low | 33.1 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 146.2 | 154.9 | -17.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 428 | N | 30.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 75 | 123.8 | 165.4 | -81 | 21.6 | 0 | 0 | 0 | 124.5 | ||||
| 429 | M | 22.8 | Very low | 35 | Very low | 151 Ų | 151 | 137 Ų | 137 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 97.9 | 103.5 | 139.2 | -71.8 | 172.2 | 70.9 | 0 | 0 | 124.3 | ||||
| 430 | W | 25.3 | Very low | 37 | Very low | 227 Ų | 227 | 133.1 Ų | 133.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 77.1 | -176.8 | 133.8 | -105.3 | -51.2 | 0 | 0 | 0 | 123.4 | ||||
| 431 | S | 27.7 | Very low | 38.4 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -162.2 | 173.8 | -141.7 | -43.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 432 | Q | 30.3 | Very low | 38.1 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 72.2 | 144 | 156.6 | -73.3 | -167.9 | -3.5 | 0 | 0 | 122.2 | ||||
| 433 | A | 30.6 | Very low | 39.4 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -173 | 151.5 | 135 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 434 | S | 29.6 | Very low | 39.7 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -152.9 | 177.6 | 0.1 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 435 | K | 24.2 | Very low | 39.5 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | cis | -155.4 | 172.6 | 19.5 | -152.4 | 161.9 | -176.3 | 173.9 | 0 | 112.9 | ||||
| 436 | E | 29.3 | Very low | 39.5 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | -93.2 | -176 | -164.7 | -108.8 | -170.4 | 85 | 0 | 0 | 116.1 | L438 | E436-L438 HydrophobicContact CG-CD1 4.17Š| ||
| 437 | P | 50.8 | Low | 38.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | cis | -135.3 | 178.4 | 22.6 | 35.4 | -12.1 | 0 | 0 | 0 | 119.7 | ||||
| 438 | L | 34.3 | Very low | 39.8 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -79.3 | 147.7 | -156.8 | -103.9 | 64.8 | 0 | 0 | 0 | 120.4 | E436 | E436-L438 HydrophobicContact CG-CD1 4.17Š| ||
| 439 | P | 64 | Low | 39.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -130.8 | 129.3 | 162.5 | 36.8 | -21.1 | 0 | 0 | 0 | 116.2 | ||||
| 440 | P | 66.8 | Low | 40.2 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -112 | -168.5 | 168.2 | 43.2 | -34.2 | 0 | 0 | 0 | 111.6 | ||||
| 441 | P | 64.2 | Low | 40.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -134.9 | -173.4 | -6.8 | 43.2 | -25.8 | 0 | 0 | 0 | 116.4 | ||||
| 442 | L | 33 | Very low | 40.4 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 77.8 | 144.9 | 160.5 | -60.6 | -169.1 | 0 | 0 | 0 | 121.4 | ||||
| 443 | P | 51.8 | Low | 40.1 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | trans | -146.8 | 170.3 | -135.9 | 43.5 | -23.3 | 0 | 0 | 0 | 120.5 | ||||
| 444 | L | 31.5 | Very low | 39.8 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 47.8 | 153.6 | 142.5 | -72 | 165.5 | 0 | 0 | 0 | 121.8 | ||||
| 445 | P | 49.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -147.1 | -168.4 | 43.2 | 40 | -15.7 | 0 | 0 | 0 | 117.5 | ||||
| 446 | P | 52.9 | Low | 39.7 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -133.4 | -171.8 | -165.6 | 45.6 | -31.6 | 0 | 0 | 0 | 119.2 | ||||
| 447 | A | 32.6 | Very low | 39.5 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | 79.1 | 168.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 448 | P | 54.9 | Low | 38.4 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -120.4 | -143 | 13.7 | 32.5 | -6.9 | 0 | 0 | 0 | 113.9 | ||||
| 449 | Q | 32.1 | Very low | 38 | Very low | 167 Ų | 167 | 123 Ų | 123 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | cis | -157.8 | -128.9 | 13.8 | -150.1 | 175.9 | 22.8 | 0 | 0 | 116 | ||||
| 450 | N | 29.8 | Very low | 36.2 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -126.3 | 172.6 | -156.5 | -57.9 | -17.6 | 0 | 0 | 0 | 113.7 | ||||
| 451 | G | 28.3 | Very low | 34.4 | Very low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | 156.9 | 162.2 | -9.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 452 | V | 27.1 | Very low | 32.6 | Very low | 147 Ų | 147 | 123 Ų | 123 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 84.4 | 102 | 157.5 | -171.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 453 | A | 25.2 | Very low | 32.4 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | 49.7 | 140.4 | 128.5 | 0 | 0 | 0 | 0 | 0 | 126.9 | |||||
| 454 | G | 24.3 | Very low | 31.3 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 134.3 | 141.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 455 | V | 25.8 | Very low | 31 | Very low | 129 Ų | 129 | 122 Ų | 122 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | cis | -168.8 | 133.8 | -34.9 | 118.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 456 | T | 25.1 | Very low | 30.1 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 56.7 | 151.7 | 169.8 | 54.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 457 | G | 26.7 | Very low | 28.9 | Very low | 65 Ų | 65 | 122.4 Ų | 122.4 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | cis | 160.8 | 173.2 | -8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 458 | A | 26.9 | Very low | 28.8 | Very low | 103 Ų | 103 | 122 Ų | 122 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | 62.2 | 157.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 459 | K | 25.1 | Very low | 27.5 | Very low | 214 Ų | 214 | 120.2 Ų | 120.2 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | cis | 170 | 155.5 | -28.2 | -114.4 | -171.8 | 174.6 | -171.2 | 0 | 104.4 | ||||
| 460 | G | 26.6 | Very low | 27.3 | Very low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 111.9 | 106.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 461 | A | 28.9 | Very low | 27.3 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | cis | 84.3 | 134.7 | 21.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 462 | E | 27.1 | Very low | 27.3 | Very low | 185 Ų | 185 | 116.1 Ų | 116.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 69.4 | 145.3 | 169.2 | -64.3 | 174.2 | 175.9 | 0 | 0 | 116.2 | ||||
| 463 | S | 29.3 | Very low | 28.2 | Very low | 105 Ų | 105 | 114.2 Ų | 114.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -154.5 | -178.2 | -7.6 | -125.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 464 | Q | 28.2 | Very low | 28.3 | Very low | 187 Ų | 187 | 114.2 Ų | 114.2 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -60.2 | 152 | -174.7 | -58.1 | 155 | -36.5 | 0 | 0 | 115.5 | ||||
| 465 | A | 25.7 | Very low | 29 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | trans | -153.3 | 143.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 466 | A | 29.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -143.5 | 141.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 467 | T | 28.2 | Very low | 30 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -159.7 | 132.4 | 155.8 | 36.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 468 | G | 29.8 | Very low | 30.5 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -82.2 | 174.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 469 | G | 27.7 | Very low | 30.8 | Very low | 79 Ų | 79 | 147 Ų | 147 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -167.7 | 110 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 470 | V | 28.7 | Very low | 31.1 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 43% | 0.43 | 79% | 0.786 | S | S | . | * | trans | -75 | 145.5 | 172.7 | 170.3 | 0 | 0 | 0 | 0 | 108 | Q472 | V470-Q472 HydrophobicContact CG1-CG 3.96Š| ||
| 471 | I | 29.8 | Very low | 31.7 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -132.1 | 133.4 | 148 | -77.4 | -169 | 0 | 0 | 0 | 106.8 | E1069 | I471-E1069 WeakPolarHBondContact CA-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CB-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CG2-OE2 3.45Å | ||
| 472 | Q | 28.9 | Very low | 32.4 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 41% | 0.407 | 78% | 0.776 | S | S | . | * | trans | -84.2 | -136.6 | -168.8 | -56.2 | 179.9 | -4 | 0 | 0 | 113 | V470 E1069 | V470-Q472 HydrophobicContact CG1-CG 3.96Å; Q472-E1069 VanDerWaalsContact CA-OE1 3.29Å; Q472-E1069 WeakPolarHBondContact CA-OE1 3.35Å; Q472-E1069 HydrophobicContact CB-CB 4.37Å; Q472-E1069 HydrophobicContact CB-CG 3.88Å; Q472-E1069 WeakPolarHBondContact CB-OE1 3.35Å; Q472-E1069 HydrophobicContact CG-CB 3.86Å; Q472-E1069 HydrophobicContact CG-CG 3.96Å; Q472-E1069 PolarHBondContact N-OE1 3.24Å; Q472-E1069 PolarHBondContact N-OE2 3.23Å | ||
| 473 | T | 44.7 | Very low | 33.1 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -128 | 135.8 | -153.5 | 73.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 474 | T | 28.3 | Very low | 33.8 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 63% | 0.632 | 77% | 0.774 | S | S | * | * | trans | -116.7 | 124.2 | 171.9 | 64 | 0 | 0 | 0 | 0 | 112.2 | R476 E1067 | T474-R476 PolarHBondContact O-N 3.43Å; T474-E1067 WeakPolarHBondContact CA-OE1 3.27Å; T474-E1067 WeakPolarHBondContact CB-OE1 2.99Å; T474-E1067 WeakPolarHBondContact CB-OE2 3.38Å; T474-E1067 HydrophobicContact CG2-CB 4.34Å; T474-E1067 HydrophobicContact CG2-CG 4.48Å; T474-E1067 VanDerWaalsContact CG2-OE2 3.26Å; T474-E1067 WeakPolarHBondContact CG2-OE2 3.42Å | ||
| 475 | R | 37.7 | Very low | 34.8 | Very low | 228 Ų | 228 | 141.7 Ų | 141.7 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -98.1 | 81.9 | -167.9 | -83.4 | -173.9 | 170.9 | -174 | 0.8 | 113.1 | R477 E1067 | R475-R477 PolarHBondContact O-N 3.38Å; R475-E1067 PolarHBondContact N-OE1 2.83Å | ||
| 476 | R | 33 | Very low | 36 | Very low | 240 Ų | 240 | 143.2 Ų | 143.2 | 91% | 0.906 | 75% | 0.747 | S | S | * | * | trans | -75.1 | 99.4 | 179.9 | -153.9 | 170.5 | -159.7 | -123.9 | 2.7 | 114.1 | T474 R478 | T474-R476 PolarHBondContact O-N 3.43Å; R476-R478 PolarHBondContact O-N 2.93Å | ||
| 477 | R | 40.3 | Very low | 37.1 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 123.8 | 171.4 | -69.3 | -176.5 | -179.9 | -175.7 | 1.8 | 111.9 | R475 | R475-R477 PolarHBondContact O-N 3.38Š|
| 478 | R | 36.6 | Very low | 38.6 | Very low | 248 Ų | 248 | 140.8 Ų | 140.8 | 94% | 0.936 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 124.1 | 160.9 | -68.7 | -169.5 | 179.5 | -140.3 | 0.3 | 109.3 | R476 | R476-R478 PolarHBondContact O-N 2.93Š|
| 479 | R | 32.8 | Very low | 39.8 | Very low | 246 Ų | 246 | 142.9 Ų | 142.9 | 93% | 0.928 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 131.2 | 171.4 | -63.7 | -176.4 | -177.1 | -167.2 | 0.2 | 108.8 | S481 | R479-S481 PolarHBondContact O-N 2.88Š|
| 480 | A | 31.8 | Very low | 40.8 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 481 | S | 38.4 | Very low | 41.7 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 128.4 | 168.7 | 49 | 0 | 0 | 0 | 0 | 109.4 | R479 E483 | R479-S481 PolarHBondContact O-N 2.88Å; S481-E483 PolarHBondContact O-N 2.85Å |
| 482 | K | 43.4 | Very low | 42.8 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 123.3 | 179.2 | -68.8 | -176.2 | -171.2 | 165.7 | 0 | 111.1 | ||
| 483 | E | 43.2 | Very low | 43.5 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 128.4 | 167.3 | -61.8 | -172.2 | 153.7 | 0 | 0 | 108.9 | S481 | S481-E483 PolarHBondContact O-N 2.85Š|
| 484 | I | 44 | Very low | 43.7 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 65% | 0.646 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 137.8 | 178.3 | 34.4 | 172.9 | 0 | 0 | 0 | 110.1 | L486 | I484-L486 PolarHBondContact O-N 3.23Å; I484-L486 VanDerWaalsContact O-N 3.08Å |
| 485 | N | 48.5 | Very low | 44.5 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 48% | 0.481 | 71% | 0.71 | S | S | . | * | trans | -61.1 | 113 | -169.7 | -172.6 | -6.3 | 0 | 0 | 0 | 112.2 | E487 T488 | N485-E487 PolarHBondContact O-N 2.93Å; N485-E487 VanDerWaalsContact OD1-CB 3.29Å; N485-E487 WeakPolarHBondContact OD1-CB 3.28Å; N485-E487 PolarHBondContact OD1-N 3.04Å; N485-T488 PolarHBondContact O-N 2.89Å | ||
| 486 | L | 50.1 | Low | 44.6 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -61.8 | -28.4 | -179.5 | -129.4 | 72.9 | 0 | 0 | 0 | 112.8 | I484 L489 A490 | I484-L486 PolarHBondContact O-N 3.23Å; I484-L486 VanDerWaalsContact O-N 3.08Å; L486-L489 WeakPolarHBondContact O-CB 3.3Å; L486-L489 PolarHBondContact O-N 2.96Å; L486-A490 PolarHBondContact O-N 2.83Å |
| 487 | E | 53.1 | Low | 45.1 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69.1 | -37.5 | -178.9 | -165.9 | 168.1 | -161 | 0 | 0 | 111.8 | N485 L489 A490 Q491 | N485-E487 PolarHBondContact O-N 2.93Å; N485-E487 VanDerWaalsContact OD1-CB 3.29Å; N485-E487 WeakPolarHBondContact OD1-CB 3.28Å; N485-E487 PolarHBondContact OD1-N 3.04Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 2.99Å; E487-A490 PolarHBondContact O-N 3.45Å; E487-Q491 WeakPolarHBondContact O-CG 3.2Å; E487-Q491 PolarHBondContact O-N 2.82Å |
| 488 | T | 59.6 | Low | 44.7 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 44% | 0.436 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -66.3 | -32.8 | 174.4 | -45.6 | 0 | 0 | 0 | 0 | 111.8 | N485 K492 | N485-T488 PolarHBondContact O-N 2.89Å; T488-K492 WeakPolarHBondContact O-CB 3.33Å; T488-K492 PolarHBondContact O-N 3.1Å |
| 489 | L | 54.7 | Low | 44.5 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 67% | 0.665 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.3 | -42 | 174.7 | -164.6 | 76.3 | 0 | 0 | 0 | 111.4 | L486 E487 K492 A493 | L486-L489 WeakPolarHBondContact O-CB 3.3Å; L486-L489 PolarHBondContact O-N 2.96Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 2.99Å; L489-K492 PolarHBondContact O-N 2.79Å; L489-A493 PolarHBondContact O-N 3.08Å; L489-A493 VanDerWaalsContact O-N 3.08Å |
| 490 | A | 48.8 | Very low | 44.6 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 53% | 0.529 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -64.8 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L486 E487 A493 S494 | L486-A490 PolarHBondContact O-N 2.83Å; E487-A490 PolarHBondContact O-N 3.45Å; A490-A493 PolarHBondContact O-N 2.96Å; A490-S494 PolarHBondContact O-N 2.73Å |
| 491 | Q | 48.8 | Very low | 44.4 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 54% | 0.542 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -60.5 | -46.7 | 175 | -72.6 | 171.4 | 2.2 | 0 | 0 | 111.4 | E487 A493 S494 E495 | E487-Q491 WeakPolarHBondContact O-CG 3.2Å; E487-Q491 PolarHBondContact O-N 2.82Å; Q491-A493 VanDerWaalsContact C-N 3.29Å; Q491-A493 PolarHBondContact O-N 2.95Å; Q491-S494 WeakPolarHBondContact O-CB 3.37Å; Q491-S494 PolarHBondContact O-N 3.44Å; Q491-E495 PolarHBondContact O-N 3.05Å |
| 492 | K | 51.7 | Low | 43.8 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.4 | -25.1 | -179.1 | -159.3 | 165.8 | -171 | 169.6 | 0 | 113.8 | T488 L489 | T488-K492 WeakPolarHBondContact O-CB 3.33Å; T488-K492 PolarHBondContact O-N 3.1Å; L489-K492 PolarHBondContact O-N 2.79Å |
| 493 | A | 43.5 | Very low | 43.1 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -73.6 | -29 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L489 A490 Q491 E495 | L489-A493 PolarHBondContact O-N 3.08Å; L489-A493 VanDerWaalsContact O-N 3.08Å; A490-A493 PolarHBondContact O-N 2.96Å; Q491-A493 VanDerWaalsContact C-N 3.29Å; Q491-A493 PolarHBondContact O-N 2.95Å; A493-E495 VanDerWaalsContact C-N 3.29Å; A493-E495 PolarHBondContact O-N 3.29Å |
| 494 | S | 49.9 | Very low | 42.3 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -76.6 | -12.5 | 178.6 | -168.8 | 0 | 0 | 0 | 0 | 114 | A490 Q491 | A490-S494 PolarHBondContact O-N 2.73Å; Q491-S494 WeakPolarHBondContact O-CB 3.37Å; Q491-S494 PolarHBondContact O-N 3.44Å |
| 495 | E | 45.2 | Very low | 41.4 | Very low | 163 Ų | 163 | 123.5 Ų | 123.5 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -5.7 | -172.4 | -155.1 | 168.5 | -145.6 | 0 | 0 | 113.5 | Q491 A493 | Q491-E495 PolarHBondContact O-N 3.05Å; A493-E495 VanDerWaalsContact C-N 3.29Å; A493-E495 PolarHBondContact O-N 3.29Å |
| 496 | M | 38.4 | Very low | 40.3 | Very low | 171 Ų | 171 | 126 Ų | 126 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -114 | 7.9 | -173.5 | -68.4 | -168.4 | 64.2 | 0 | 0 | 115.9 | ||
| 497 | E | 44 | Very low | 39.2 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 65% | 0.645 | 71% | 0.711 | S | S | * | * | trans | -112.2 | 57 | -174.2 | -155.7 | -179.1 | -165.2 | 0 | 0 | 115.3 | R564 | E497-R564 IonicContact OE1-CZ 2.93Å; E497-R564 IonicContact OE1-NH1 3.25Å; E497-R564 PolarHBondContact OE1-NH1 3.41Å; E497-R564 IonicContact OE2-CZ 2.67Å; E497-R564 IonicContact OE2-NH1 3.44Å; E497-R564 PolarHBondContact OE2-NH1 3.05Å; E497-R564 IonicContact OE2-NH2 3.4Å; E497-R564 PolarHBondContact OE2-NH2 2.73Å | ||
| 498 | S | 32 | Very low | 38.1 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -167.3 | 142.3 | 161.5 | 78.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 499 | L | 33.1 | Very low | 37 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | cis | -133.3 | -149.3 | 2.6 | -67.4 | 170.8 | 0 | 0 | 0 | 109.7 | ||||
| 500 | P | 33.6 | Very low | 35.8 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | -119.8 | 174.8 | -96.2 | 39.4 | -23.7 | 0 | 0 | 0 | 114.7 | |||||
| 501 | A | 28.2 | Very low | 34.7 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -104.3 | 150.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 502 | K | 27 | Very low | 33.7 | Very low | 216 Ų | 216 | 129.9 Ų | 129.9 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -151.4 | 154 | 162.6 | -138.4 | 176.6 | -175.6 | -177.6 | 0 | 109.5 | ||||
| 503 | A | 27.6 | Very low | 32.8 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -145 | 156.6 | -164 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 504 | A | 26.6 | Very low | 32.1 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -162.7 | 129.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 505 | K | 26.1 | Very low | 31.1 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | trans | 46.3 | 120.1 | 131.9 | -69 | -171.5 | 160.9 | -74.7 | 0 | 120.9 | ||||
| 506 | E | 24.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | 77.4 | 143.4 | 92.4 | -67.8 | 158.9 | -169.2 | 0 | 0 | 112.9 | |||||
| 507 | D | 26.2 | Very low | 29.6 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | -148 | -176.2 | 20.3 | -133.7 | -39.9 | 0 | 0 | 0 | 114.3 | ||||
| 508 | A | 29.4 | Very low | 29.2 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | trans | -90.1 | -171.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 509 | P | 37.8 | Very low | 28.9 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | -151.5 | 154.9 | 95.7 | 40.1 | -23.1 | 0 | 0 | 0 | 118.7 | |||||
| 510 | S | 29.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 62 | 150.6 | 146.8 | -63.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 511 | A | 25.4 | Very low | 28.6 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | cis | -172.1 | 149.3 | -23.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 512 | I | 28.9 | Very low | 28.8 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | 175.5 | 150.6 | 145.9 | -94.7 | 155.9 | 0 | 0 | 0 | 108.7 | ||||
| 513 | V | 32.3 | Very low | 29 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -127.8 | 152.4 | -167.7 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 514 | P | 29.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -137.8 | 134.4 | 130.9 | 35.5 | -23.3 | 0 | 0 | 0 | 115.5 | ||||
| 515 | L | 27.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | 39.7 | 126.8 | 150.8 | -74.8 | 73.1 | 0 | 0 | 0 | 121.3 | ||||
| 516 | V | 27.7 | Very low | 29.1 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -113.8 | 139.6 | 155.5 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 517 | I | 24.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -113.1 | 124 | 161 | -61.6 | 178.7 | 0 | 0 | 0 | 107.6 | ||||
| 518 | P | 36.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | -86.1 | 150.6 | -178.5 | 34.5 | -34.5 | 0 | 0 | 0 | 112.1 | ||||
| 519 | V | 24.8 | Very low | 28.9 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 56% | 0.558 | 75% | 0.749 | S | S | * | * | trans | -134 | 132.2 | 157.4 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | R551 | V519-R551 VanDerWaalsContact O-CZ 3.29Å; V519-R551 PolarHBondContact O-NH1 2.85Å; V519-R551 PolarHBondContact O-NH2 3.13Å | ||
| 520 | S | 30.1 | Very low | 28.4 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -97.7 | 152.7 | 175.3 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 521 | V | 31.7 | Very low | 28.3 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 61% | 0.606 | 75% | 0.751 | S | S | * | * | trans | -119.2 | 108.7 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 522 | P | 31.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -74.4 | 160.8 | 166.2 | -15.5 | 32 | 0 | 0 | 0 | 112 | ||||
| 523 | V | 31 | Very low | 28.2 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -147.9 | 125.4 | -166.1 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 524 | H | 29.5 | Very low | 27.7 | Very low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | 177.1 | 141.4 | 143.8 | -101.8 | 26.6 | 0 | 0 | 0 | 115.5 | ||||
| 525 | K | 26.9 | Very low | 27.6 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | 42 | 149.3 | 125 | -60.6 | 179.7 | -171.4 | 159.2 | 0 | 120.9 | |||||
| 526 | S | 25.3 | Very low | 27.5 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -175.9 | 154.1 | -2.8 | 43.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 527 | Q | 24.9 | Very low | 27.4 | Very low | 184 Ų | 184 | 130 Ų | 130 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 46.1 | 124.3 | 136.7 | -172.3 | -177.8 | 10.9 | 0 | 0 | 122.5 | ||||
| 528 | A | 27.7 | Very low | 27.4 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -171.5 | 166.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 529 | E | 24.6 | Very low | 26.9 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -121.4 | 168.6 | -174.6 | -64.8 | 169.5 | 93.1 | 0 | 0 | 114 | ||||
| 530 | S | 28 | Very low | 26.8 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 118.2 | 137.7 | 134.4 | 77.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 531 | Q | 25.9 | Very low | 26.6 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 50.3 | 140.1 | 152.9 | -65 | -175.3 | -84 | 0 | 0 | 123.4 | ||||
| 532 | G | 27.3 | Very low | 26.4 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 128.2 | 118.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 533 | G | 24.6 | Very low | 26.2 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -113.6 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 534 | W | 22.8 | Very low | 26 | Very low | 261 Ų | 261 | 147.6 Ų | 147.6 | 99% | 0.989 | 82% | 0.817 | S | S | * | * | trans | 83.2 | 130.6 | 163.9 | -61.8 | 88.7 | 0 | 0 | 0 | 120.9 | ||||
| 535 | A | 26.9 | Very low | 25.8 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 83% | 0.825 | S | S | * | * | trans | 77.4 | 97.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 536 | Q | 25.7 | Very low | 25.7 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | 67.1 | 107.3 | 111 | -168.9 | 174.5 | -8.1 | 0 | 0 | 120.7 | |||||
| 537 | G | 25 | Very low | 25.7 | Very low | 77 Ų | 77 | 143 Ų | 143 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -170.6 | 159.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 538 | R | 25.5 | Very low | 25.9 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | trans | -121 | 167.8 | 176.9 | -61.9 | -165.6 | -153.9 | -115.3 | 12.9 | 111.9 | ||||
| 539 | V | 24.5 | Very low | 25.9 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | trans | 74.4 | 143.5 | 165.4 | -165.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 540 | G | 23.6 | Very low | 26 | Very low | 64 Ų | 64 | 140.8 Ų | 140.8 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | cis | 155.6 | 115.6 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 541 | Q | 26 | Very low | 26 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 98% | 0.981 | 82% | 0.822 | S | S | * | * | trans | 62.8 | 149.7 | 168.4 | -69.5 | -168.5 | -64.4 | 0 | 0 | 121 | ||||
| 542 | G | 27.1 | Very low | 26.6 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 110 | 132.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 543 | E | 26.8 | Very low | 27.2 | Very low | 201 Ų | 201 | 143.8 Ų | 143.8 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | cis | -149.8 | -174.9 | -18.9 | -152.4 | 166.2 | 122.5 | 0 | 0 | 109.7 | ||||
| 544 | R | 26.4 | Very low | 27.3 | Very low | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -108.6 | 142.3 | -162.1 | -66.5 | 174 | 162.9 | -168.4 | -5.4 | 115.3 | ||||
| 545 | T | 26.4 | Very low | 27.6 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | 174.8 | 118.8 | 128.8 | 33.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 546 | A | 25.2 | Very low | 27.7 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 79.1 | 123.6 | 69 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 547 | G | 25.2 | Very low | 27.8 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | 172.5 | -173.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 548 | Q | 28.1 | Very low | 28 | Very low | 203 Ų | 203 | 141.5 Ų | 141.5 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | 67.5 | 155.2 | 173.7 | -65.6 | -153 | -24.8 | 0 | 0 | 118.2 | ||||
| 549 | A | 27.9 | Very low | 28.1 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | cis | -137.6 | 166.9 | 6.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 550 | D | 27.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 60% | 0.604 | 81% | 0.808 | S | S | * | * | trans | -94 | 156 | -175.2 | -158 | -17.6 | 0 | 0 | 0 | 112.6 | K552 | D550-K552 WeakPolarHBondContact OD1-CE 3.34Å; D550-K552 IonicContact OD1-NZ 3.88Å; D550-K552 WeakPolarHBondContact OD2-CE 3.06Å; D550-K552 IonicContact OD2-NZ 2.66Å; D550-K552 PolarHBondContact OD2-NZ 2.78Å | ||
| 551 | R | 28.6 | Very low | 28.8 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 60% | 0.604 | 82% | 0.821 | S | S | * | * | trans | -148.9 | 119.1 | 160.1 | -162.3 | -177 | -168.4 | 175.5 | 12.8 | 111.2 | V519 | V519-R551 VanDerWaalsContact O-CZ 3.29Å; V519-R551 PolarHBondContact O-NH1 2.85Å; V519-R551 PolarHBondContact O-NH2 3.13Å | ||
| 552 | K | 37.8 | Very low | 28.8 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | trans | -109.6 | 161.9 | -171.3 | -87.7 | 161.3 | 178.7 | 158.9 | 0 | 113.7 | D550 | D550-K552 WeakPolarHBondContact OD1-CE 3.34Å; D550-K552 IonicContact OD1-NZ 3.88Å; D550-K552 WeakPolarHBondContact OD2-CE 3.06Å; D550-K552 IonicContact OD2-NZ 2.66Å; D550-K552 PolarHBondContact OD2-NZ 2.78Å | ||
| 553 | P | 38.8 | Very low | 28.8 | Very low | 123 Ų | 123 | 154.8 Ų | 154.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -89.4 | 172.6 | -161.2 | 36.1 | -37.9 | 0 | 0 | 0 | 114.4 | ||||
| 554 | S | 28.1 | Very low | 29 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -108.2 | 148.2 | 168.8 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 555 | V | 27.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -111.8 | 137.1 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 556 | I | 30.6 | Very low | 29 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -110.6 | 123.3 | 174.6 | -65.5 | 179.5 | 0 | 0 | 0 | 109.8 | ||||
| 557 | V | 28.1 | Very low | 29.1 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 129.5 | 178 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 558 | A | 28.2 | Very low | 29.2 | Very low | 102 Ų | 102 | 154.5 Ų | 154.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -74 | 130.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 559 | R | 28.5 | Very low | 29.3 | Very low | 241 Ų | 241 | 152.4 Ų | 152.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -126 | 135.1 | 167.5 | -162.8 | 168.8 | -176 | 159.8 | 1.4 | 111.2 | ||||
| 560 | R | 31.2 | Very low | 29.2 | Very low | 244 Ų | 244 | 153.7 Ų | 153.7 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -54.3 | 140.8 | -170.3 | -58.4 | 166.6 | -176.3 | -99.1 | -1.6 | 112.9 | ||||
| 561 | R | 30.1 | Very low | 29.4 | Very low | 248 Ų | 248 | 156.9 Ų | 156.9 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | trans | -120.9 | 144.9 | 159.4 | -76.7 | -168.9 | 173.5 | -166 | -0.9 | 110.7 | ||||
| 562 | S | 26.5 | Very low | 29.5 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -86.1 | 153.7 | 172.8 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 563 | L | 27.6 | Very low | 29.4 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -112.5 | 121.4 | 176.4 | -77 | 169.2 | 0 | 0 | 0 | 111 | ||||
| 564 | R | 30.1 | Very low | 28.9 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -140.1 | 132.1 | 158.5 | -110.5 | -177.4 | 169.3 | -172.1 | -6.2 | 107 | E497 | E497-R564 IonicContact OE1-CZ 2.93Å; E497-R564 IonicContact OE1-NH1 3.25Å; E497-R564 PolarHBondContact OE1-NH1 3.41Å; E497-R564 IonicContact OE2-CZ 2.67Å; E497-R564 IonicContact OE2-NH1 3.44Å; E497-R564 PolarHBondContact OE2-NH1 3.05Å; E497-R564 IonicContact OE2-NH2 3.4Å; E497-R564 PolarHBondContact OE2-NH2 2.73Å | ||
| 565 | N | 28.4 | Very low | 29.1 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -108.2 | 139.5 | -174.9 | -67.6 | -7 | 0 | 0 | 0 | 110.8 | ||||
| 566 | S | 24 | Very low | 29.4 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -150.7 | 124.5 | 158.2 | 58 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 567 | V | 27.5 | Very low | 29.4 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -120.5 | 138.2 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 568 | T | 28.1 | Very low | 29.4 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -129.9 | 137.5 | 165.3 | 29.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 569 | E | 31 | Very low | 29.4 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 166.1 | -177.3 | -64.3 | 159.7 | 104.2 | 0 | 0 | 112.2 | F571 | E569-F571 HydrophobicContact CB-CD2 4.46Å; E569-F571 HydrophobicContact CB-CE2 4.43Å; E569-F571 WeakPolarHBondContact OE1-CE2 3.16Å | ||
| 570 | S | 25.4 | Very low | 29.4 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -138.3 | 120.2 | 155 | -159.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 571 | F | 31.4 | Very low | 29.4 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -86.3 | 162.1 | 173.4 | -83.2 | -102.4 | 0 | 0 | 0 | 110.3 | E569 | E569-F571 HydrophobicContact CB-CD2 4.46Å; E569-F571 HydrophobicContact CB-CE2 4.43Å; E569-F571 WeakPolarHBondContact OE1-CE2 3.16Å | ||
| 572 | G | 30.8 | Very low | 29.4 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -131.9 | 150.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 573 | Q | 34.6 | Very low | 29.8 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -162.7 | 153.5 | 165.8 | -120.5 | 172 | 2.9 | 0 | 0 | 109.8 | ||||
| 574 | D | 28.6 | Very low | 30 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 52% | 0.524 | 77% | 0.77 | S | S | . | * | trans | -135 | 160.9 | 173.9 | -101.1 | -39.5 | 0 | 0 | 0 | 108 | K71 W72 | K71-D574 WeakPolarHBondContact CE-OD2 3.36Å; K71-D574 IonicContact NZ-OD1 2.67Å; K71-D574 PolarHBondContact NZ-OD1 3.49Å; K71-D574 IonicContact NZ-OD2 3.83Å; K71-D574 PolarHBondContact NZ-OD2 3.11Å; K71-D574 VanDerWaalsContact NZ-OD2 3.17Å; W72-D574 HydrophobicContact CZ2-CB 3.78Å | ||
| 575 | G | 33.3 | Very low | 30.3 | Very low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | 167.9 | 151.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 576 | E | 33.7 | Very low | 30.5 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | -153.5 | 138.8 | -171.2 | -66.9 | 92.8 | -11.5 | 0 | 0 | 109.2 | K71 | K71-E576 IonicContact NZ-OE2 3.9Å; K71-E576 PolarHBondContact NZ-OE2 3.4Å | ||
| 577 | S | 30.5 | Very low | 31 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | cis | -166.7 | 170.9 | -9.7 | -79.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 578 | D | 27.3 | Very low | 31.3 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 174.3 | 162.8 | -125.8 | 52.6 | 0 | 0 | 0 | 117.6 | ||||
| 579 | S | 28.8 | Very low | 31.7 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | cis | -147 | -144.6 | 8 | 70.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 580 | G | 28.3 | Very low | 31.8 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -102.7 | -175.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 581 | M | 31.8 | Very low | 32.3 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | cis | -149.6 | -169.7 | 10.3 | -142.1 | 177 | -176.1 | 0 | 0 | 113 | ||||
| 582 | E | 29.8 | Very low | 32.6 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -86.3 | 175.6 | -161.6 | -53.7 | -170.4 | 117 | 0 | 0 | 114.8 | ||||
| 583 | E | 34 | Very low | 32.9 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | cis | -150.6 | -168.6 | 33.3 | -146.1 | -156.3 | 116.8 | 0 | 0 | 115.7 | ||||
| 584 | D | 32.9 | Very low | 33.3 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | trans | -67.7 | 147.9 | -153.7 | -175.1 | 34.4 | 0 | 0 | 0 | 119.1 | K586 | D584-K586 WeakPolarHBondContact OD2-CE 3.48Å; D584-K586 WeakPolarHBondContact OD2-CG 3.46Å; D584-K586 IonicContact OD2-NZ 2.76Å; D584-K586 PolarHBondContact OD2-NZ 2.89Å | ||
| 585 | G | 35.3 | Very low | 34.4 | Very low | 71 Ų | 71 | 149.3 Ų | 149.3 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -160.3 | 102.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A587 | G585-A587 PolarHBondContact O-N 3.3Š| ||
| 586 | K | 32.7 | Very low | 34.7 | Very low | 161 Ų | 161 | 155 Ų | 155 | 70% | 0.7 | 79% | 0.786 | S | S | * | * | trans | -80 | 103.9 | -156.9 | -65.3 | 171.6 | 177.2 | 72.7 | 0 | 116.2 | D584 | D584-K586 WeakPolarHBondContact OD2-CE 3.48Å; D584-K586 WeakPolarHBondContact OD2-CG 3.46Å; D584-K586 IonicContact OD2-NZ 2.76Å; D584-K586 PolarHBondContact OD2-NZ 2.89Å | ||
| 587 | A | 35 | Very low | 35.4 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -143.4 | 126.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G585 | G585-A587 PolarHBondContact O-N 3.3Š| ||
| 588 | K | 34.2 | Very low | 36 | Very low | 162 Ų | 162 | 157 Ų | 157 | 70% | 0.704 | 80% | 0.797 | S | S | * | * | trans | -110.3 | 96.1 | -159.3 | -66.9 | 174.3 | -178.1 | 169.3 | 0 | 114.5 | R590 | K588-R590 PolarHBondContact O-N 2.94Š| ||
| 589 | F | 36.3 | Very low | 36.6 | Very low | 214 Ų | 214 | 156.3 Ų | 156.3 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -72 | 117.8 | 157.3 | -78.4 | -81.9 | 0 | 0 | 0 | 110 | ||||
| 590 | R | 34.1 | Very low | 37.3 | Very low | 193 Ų | 193 | 158.5 Ų | 158.5 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 107.3 | 172.4 | -75.8 | -154.1 | 179.6 | -78.8 | 9.9 | 112.3 | K588 | K588-R590 PolarHBondContact O-N 2.94Š| ||
| 591 | R | 35.1 | Very low | 37.8 | Very low | 243 Ų | 243 | 160 Ų | 160 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -78.7 | 149.9 | 147.7 | -56.1 | -174.2 | -168.8 | -169 | 5.7 | 108.5 | ||||
| 592 | R | 37.6 | Very low | 38.3 | Very low | 213 Ų | 213 | 156.5 Ų | 156.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -129.9 | 105.4 | 161.8 | -77.3 | -174.1 | 176.9 | -178.8 | -0.2 | 106.2 | ||||
| 593 | T | 36.9 | Very low | 38.8 | Very low | 128 Ų | 128 | 154 Ų | 154 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 61.8 | 118 | 93.1 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 594 | R | 43.7 | Very low | 38.9 | Very low | 236 Ų | 236 | 154.4 Ų | 154.4 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 142 | 170.4 | 179.8 | -179.2 | -176.2 | 166.5 | 1.2 | 108.7 | ||
| 595 | P | 51.8 | Low | 39.5 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 144.8 | 176 | -23.6 | 34.6 | 0 | 0 | 0 | 113 | ||
| 596 | E | 38.8 | Very low | 39.3 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 143.5 | 171.3 | -171.9 | 172.5 | -150.9 | 0 | 0 | 110 | ||
| 597 | P | 49.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 128.5 | 178 | 29 | -33.9 | 0 | 0 | 0 | 111.6 | I599 | P597-I599 PolarHBondContact O-N 3.26Å; P597-I599 VanDerWaalsContact O-N 3.16Å |
| 598 | L | 41.2 | Very low | 39.5 | Very low | 170 Ų | 170 | 160.6 Ų | 160.6 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -62.3 | 113.7 | 174.1 | -86.6 | 162.1 | 0 | 0 | 0 | 111.3 | I600 | L598-I600 PolarHBondContact O-N 3.48Š| ||
| 599 | I | 40.9 | Very low | 39.4 | Very low | 152 Ų | 152 | 160.3 Ų | 160.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -79.4 | 109.8 | 170.1 | -60.3 | 173.3 | 0 | 0 | 0 | 108.4 | P597 | P597-I599 PolarHBondContact O-N 3.26Å; P597-I599 VanDerWaalsContact O-N 3.16Å | ||
| 600 | I | 42.6 | Very low | 39.1 | Very low | 152 Ų | 152 | 155.3 Ų | 155.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 123.5 | 161.1 | -59.6 | 178.5 | 0 | 0 | 0 | 106.8 | L598 | L598-I600 PolarHBondContact O-N 3.48Š|
| 601 | P | 40.6 | Very low | 39.1 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 145.6 | -174.8 | 28.1 | -35 | 0 | 0 | 0 | 111.9 | ||
| 602 | P | 41.6 | Very low | 39.3 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.6 | 175.3 | 28.1 | -33.7 | 0 | 0 | 0 | 110.6 | K604 | P602-K604 PolarHBondContact O-N 3.06Š|
| 603 | P | 40.8 | Very low | 39.4 | Very low | 128 Ų | 128 | 142 Ų | 142 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132.4 | 172.8 | 27.1 | -33 | 0 | 0 | 0 | 110.3 | ||
| 604 | K | 35.3 | Very low | 39.2 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 148.2 | -180 | -65.5 | 179.2 | -179.8 | 177.9 | 0 | 111.1 | P602 | P602-K604 PolarHBondContact O-N 3.06Š|
| 605 | P | 46.4 | Very low | 38.8 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 129.9 | -179.2 | 31.4 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 606 | S | 30.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -163.8 | 152.8 | 156.8 | -168.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 607 | T | 33.2 | Very low | 38.2 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 80.7 | 110.4 | 155.9 | -42.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 608 | F | 37.4 | Very low | 37.6 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 136.4 | 167.4 | -85.6 | -124.9 | 0 | 0 | 0 | 112.7 | ||||
| 609 | I | 32.8 | Very low | 37.3 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -142.9 | 138.9 | 151.2 | -64.5 | -170.2 | 0 | 0 | 0 | 107 | ||||
| 610 | P | 31.1 | Very low | 36.9 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -84.9 | 161.9 | -160.1 | 32.5 | -37.6 | 0 | 0 | 0 | 116.5 | S612 | P610-S612 PolarHBondContact O-N 3.06Š| ||
| 611 | P | 33.4 | Very low | 36.5 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -84.2 | 93.7 | -173.4 | 33.2 | -35.7 | 0 | 0 | 0 | 114.3 | ||||
| 612 | S | 38.6 | Very low | 36.3 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -166.1 | 132.2 | 158.9 | -80.7 | 0 | 0 | 0 | 0 | 107.1 | P610 | P610-S612 PolarHBondContact O-N 3.06Š| ||
| 613 | V | 41 | Very low | 36.2 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | -142.4 | 136.4 | 19.8 | 177 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 614 | Y | 31 | Very low | 36.3 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -174.6 | 139.5 | 136.3 | -119.6 | -86 | 0 | 0 | 0 | 110.6 | S616 | Y614-S616 WeakPolarHBondContact CE1-OG 3.43Š| ||
| 615 | S | 35.5 | Very low | 36.5 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -152.3 | 66.3 | 176.1 | -73.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 616 | S | 40.1 | Very low | 36.1 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -167 | 72.3 | 178.1 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | Y614 | Y614-S616 WeakPolarHBondContact CE1-OG 3.43Š| ||
| 617 | I | 37.5 | Very low | 36.8 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -155.7 | 118.7 | 148.3 | -94 | 136.6 | 0 | 0 | 0 | 106.8 | ||||
| 618 | T | 38.8 | Very low | 37 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -98.3 | 118.7 | 175.5 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 619 | H | 33 | Very low | 37 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -131.5 | 149.3 | 160.1 | -92.1 | 50.8 | 0 | 0 | 0 | 108.9 | Q621 | H619-Q621 PolarHBondContact O-N 3.12Š| ||
| 620 | Y | 33.2 | Very low | 37.3 | Very low | 244 Ų | 244 | 149.5 Ų | 149.5 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 121.1 | -165.7 | -85.8 | -110.1 | 0 | 0 | 0 | 114.9 | ||
| 621 | Q | 35.3 | Very low | 38.2 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 141.5 | 161 | -86.8 | -77.4 | 0.3 | 0 | 0 | 109.6 | H619 | H619-Q621 PolarHBondContact O-N 3.12Š|
| 622 | S | 35.2 | Very low | 38.6 | Very low | 69 Ų | 69 | 150.9 Ų | 150.9 | 48% | 0.483 | 80% | 0.796 | S | S | . | * | P | Polyproline II helix | trans | -84.4 | 129 | -178.5 | 58 | 0 | 0 | 0 | 0 | 111.8 | L624 | S622-L624 PolarHBondContact O-N 2.89Š|
| 623 | N | 40.9 | Very low | 38.6 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -68.8 | 24.3 | 175.6 | -69.7 | -20.8 | 0 | 0 | 0 | 114.8 | ||
| 624 | L | 42.4 | Very low | 39 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -137 | 42.5 | -178.7 | -69.9 | 176.7 | 0 | 0 | 0 | 112.1 | S622 | S622-L624 PolarHBondContact O-N 2.89Š|
| 625 | R | 39.8 | Very low | 39.9 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -133 | 138.7 | 162.7 | -74.2 | -170.1 | 175.1 | -107.2 | -2.5 | 111.1 | ||||
| 626 | S | 37.3 | Very low | 39.9 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 156.8 | 176.9 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 627 | P | 44.7 | Very low | 40 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.5 | 173.4 | -25.2 | 34.8 | 0 | 0 | 0 | 113.2 | ||
| 628 | V | 38 | Very low | 40.2 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 136.1 | 167.4 | 177 | 0 | 0 | 0 | 0 | 108.4 | ||
| 629 | R | 38 | Very low | 40.7 | Very low | 219 Ų | 219 | 152.6 Ų | 152.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 138.5 | 179.9 | -68 | -174.8 | 173 | 110.2 | -2 | 111.6 | ||
| 630 | L | 39.1 | Very low | 41.2 | Very low | 162 Ų | 162 | 154 Ų | 154 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 144.3 | 151.1 | -84.4 | 163.6 | 0 | 0 | 0 | 109 | D632 | L630-D632 PolarHBondContact O-N 3.32Š|
| 631 | P | 49.5 | Very low | 41.8 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -91 | 69.8 | -173.1 | 37.1 | -35.9 | 0 | 0 | 0 | 112.3 | ||
| 632 | D | 41.6 | Very low | 42.3 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -148.1 | 144.5 | 163.7 | -101.4 | -44.4 | 0 | 0 | 0 | 110.8 | L630 | L630-D632 PolarHBondContact O-N 3.32Š| ||
| 633 | N | 38 | Very low | 42.9 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 66.9 | 87.2 | -174.4 | -52.1 | -78.7 | 0 | 0 | 0 | 115.7 | ||||
| 634 | L | 49.2 | Very low | 43.2 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -68.1 | 156.2 | 148.7 | -67 | 164.7 | 0 | 0 | 0 | 109.4 | ||||
| 635 | H | 50.4 | Low | 43.6 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 80.1 | 43.6 | 178 | -41.7 | 103.5 | 0 | 0 | 0 | 118.5 | ||
| 636 | S | 36 | Very low | 43.8 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -158.2 | 152.3 | 138.9 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 637 | L | 41.1 | Very low | 44.1 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -121.7 | 121 | 168.2 | -73.3 | 173.4 | 0 | 0 | 0 | 108.2 | P639 | L637-P639 WeakPolarHBondContact O-CD 3.21Š| ||
| 638 | P | 43.6 | Very low | 44.4 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 124.6 | 170.6 | 28.8 | -31.8 | 0 | 0 | 0 | 109.5 | Y640 | P638-Y640 PolarHBondContact O-N 3.41Š| ||
| 639 | P | 47.8 | Very low | 44.8 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -75.4 | 108.8 | -179.6 | 29.1 | -33.2 | 0 | 0 | 0 | 110.9 | L637 T641 | L637-P639 WeakPolarHBondContact O-CD 3.21Å; P639-T641 PolarHBondContact O-N 2.76Å | ||
| 640 | Y | 44.3 | Very low | 45.4 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | -81.1 | 97.6 | 165.5 | -179.3 | -96.5 | 0 | 0 | 0 | 109.6 | P638 | P638-Y640 PolarHBondContact O-N 3.41Š| ||
| 641 | T | 46.6 | Very low | 45.9 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -102.4 | 113.3 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 109.4 | P639 | P639-T641 PolarHBondContact O-N 2.76Š| ||
| 642 | P | 45.1 | Very low | 45.9 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 54% | 0.539 | 74% | 0.741 | S | S | . | * | trans | -67.7 | 144.4 | 174.1 | 28.5 | -33.8 | 0 | 0 | 0 | 110.6 | ||||
| 643 | P | 46.7 | Very low | 46.5 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -60.9 | 141.4 | 178.1 | -24 | 34.3 | 0 | 0 | 0 | 112.5 | I645 | P643-I645 PolarHBondContact O-N 3.17Š| ||
| 644 | P | 48 | Very low | 46.9 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -68.3 | 115.3 | 178.9 | 27.4 | -33.8 | 0 | 0 | 0 | 111 | L646 | P644-L646 PolarHBondContact O-N 3.27Š| ||
| 645 | I | 51 | Low | 47 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | trans | -78.5 | 95.9 | 176.9 | -58.3 | 178.7 | 0 | 0 | 0 | 108.8 | P643 | P643-I645 PolarHBondContact O-N 3.17Š| ||
| 646 | L | 43.2 | Very low | 46.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 79.2 | 136.9 | 173.4 | -51.7 | 169.3 | 0 | 0 | 0 | 116.5 | P644 | P644-L646 PolarHBondContact O-N 3.27Š| ||
| 647 | S | 43.8 | Very low | 46.9 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | trans | -84.3 | 141.4 | 170.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | V649 | S647-V649 PolarHBondContact O-N 2.96Å; S647-V649 PolarHBondContact OG-N 3.28Å | ||
| 648 | P | 50.5 | Low | 47.2 | Very low | 95 Ų | 95 | 122 Ų | 122 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -65.4 | -22.9 | 175.9 | -18 | 29.6 | 0 | 0 | 0 | 114.4 | L708 | P648-L708 HydrophobicContact CG-CD2 3.82Š|
| 649 | V | 48 | Very low | 47.2 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 67% | 0.667 | 69% | 0.688 | S | S | * | * | trans | -112.7 | 80.1 | -171.1 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | S647 | S647-V649 PolarHBondContact O-N 2.96Å; S647-V649 PolarHBondContact OG-N 3.28Å | ||
| 650 | R | 49.2 | Very low | 47.1 | Very low | 218 Ų | 218 | 121.9 Ų | 121.9 | 82% | 0.823 | 69% | 0.689 | S | S | * | * | trans | -120.7 | 105.4 | 164.2 | -162.2 | 176.1 | -159.2 | -104.5 | 1.8 | 109.3 | G652 | R650-G652 PolarHBondContact O-N 3.27Š| ||
| 651 | G | 51.3 | Low | 47 | Very low | 91 Ų | 91 | 117.2 Ų | 117.2 | 94% | 0.938 | 68% | 0.678 | S | S | * | * | trans | -65.3 | 93.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 652 | G | 48.3 | Very low | 46.9 | Very low | 52 Ų | 52 | 115.7 Ų | 115.7 | 54% | 0.536 | 67% | 0.668 | S | S | . | * | S | Bend | trans | 170.1 | 159 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | R650 G654 | R650-G652 PolarHBondContact O-N 3.27Å; G652-G654 PolarHBondContact O-N 3.1Å |
| 653 | T | 53.5 | Low | 46.7 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 82% | 0.816 | 68% | 0.679 | S | S | * | * | trans | -71.9 | 83.7 | -175.9 | 50.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 654 | G | 46.8 | Very low | 46.8 | Very low | 44 Ų | 44 | 119.7 Ų | 119.7 | 45% | 0.454 | 68% | 0.678 | S | S | . | * | trans | -75.3 | 162.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G652 Y656 F657 | G652-G654 PolarHBondContact O-N 3.1Å; G654-Y656 PolarHBondContact O-N 3.23Å; G654-F657 WeakPolarHBondContact O-CB 3.21Å; G654-F657 PolarHBondContact O-N 3.45Å | ||
| 655 | L | 51.1 | Low | 46.6 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -9.9 | -170.4 | -70.6 | 166.9 | 0 | 0 | 0 | 116.4 | S658 | L655-S658 PolarHBondContact O-OG 3.15Š|
| 656 | Y | 45.1 | Very low | 46.2 | Very low | 196 Ų | 196 | 115.6 Ų | 115.6 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -14.6 | 174.8 | -59.8 | -70.7 | 0 | 0 | 0 | 113.5 | G654 S658 A659 | G654-Y656 PolarHBondContact O-N 3.23Å; Y656-S658 VanDerWaalsContact C-N 3.34Å; Y656-A659 PolarHBondContact O-N 2.96Å |
| 657 | F | 41.1 | Very low | 45.8 | Very low | 143 Ų | 143 | 113.8 Ų | 113.8 | 63% | 0.627 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -28.4 | 179.9 | -155 | -89.2 | 0 | 0 | 0 | 112.1 | G654 A659 | G654-F657 WeakPolarHBondContact O-CB 3.21Å; G654-F657 PolarHBondContact O-N 3.45Å; F657-A659 VanDerWaalsContact C-N 3.33Å |
| 658 | S | 47.4 | Very low | 45.5 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 44% | 0.441 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.1 | -28.8 | 174.7 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | L655 Y656 F660 L661 T662 | L655-S658 PolarHBondContact O-OG 3.15Å; Y656-S658 VanDerWaalsContact C-N 3.34Å; S658-F660 VanDerWaalsContact C-N 3.31Å; S658-F660 PolarHBondContact O-N 3.31Å; S658-L661 PolarHBondContact O-N 2.92Å; S658-L661 VanDerWaalsContact O-N 3.12Å; S658-T662 PolarHBondContact O-N 3.34Å; S658-T662 PolarHBondContact O-OG1 3.12Å; S658-T662 VanDerWaalsContact O-OG1 3.1Å |
| 659 | A | 42.4 | Very low | 44.8 | Very low | 55 Ų | 55 | 120.9 Ų | 120.9 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -62.9 | -33.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y656 F657 T662 | Y656-A659 PolarHBondContact O-N 2.96Å; F657-A659 VanDerWaalsContact C-N 3.33Å; A659-T662 PolarHBondContact O-OG1 3.34Å |
| 660 | F | 44.8 | Very low | 44.4 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 77% | 0.768 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.9 | -28.5 | 176.6 | -80.5 | -86.2 | 0 | 0 | 0 | 113.1 | S658 | S658-F660 VanDerWaalsContact C-N 3.31Å; S658-F660 PolarHBondContact O-N 3.31Å |
| 661 | L | 42.7 | Very low | 43.7 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 57% | 0.571 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -85.5 | -34.4 | 178.5 | -65.3 | 176.8 | 0 | 0 | 0 | 112.5 | S658 N663 I664 A665 | S658-L661 PolarHBondContact O-N 2.92Å; S658-L661 VanDerWaalsContact O-N 3.12Å; L661-N663 PolarHBondContact O-N 3.34Å; L661-I664 PolarHBondContact O-N 3.01Å; L661-I664 VanDerWaalsContact O-N 3.1Å; L661-A665 PolarHBondContact O-N 3.33Å |
| 662 | T | 44.2 | Very low | 43.2 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -62.1 | -30.4 | 176 | 43.9 | 0 | 0 | 0 | 0 | 113 | S658 A659 I664 A665 V666 | S658-T662 PolarHBondContact O-N 3.34Å; S658-T662 PolarHBondContact O-OG1 3.12Å; S658-T662 VanDerWaalsContact O-OG1 3.1Å; A659-T662 PolarHBondContact O-OG1 3.34Å; T662-I664 PolarHBondContact O-N 3.01Å; T662-A665 PolarHBondContact O-N 2.93Å; T662-V666 WeakPolarHBondContact O-CG2 3.2Å |
| 663 | N | 42.5 | Very low | 42.7 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -13.8 | 178.5 | -153.9 | 28.8 | 0 | 0 | 0 | 113.3 | L661 | L661-N663 PolarHBondContact O-N 3.34Š|
| 664 | I | 48.3 | Very low | 41.7 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 67% | 0.672 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -28 | 173 | -57.8 | 176 | 0 | 0 | 0 | 110.4 | L661 T662 V666 | L661-I664 PolarHBondContact O-N 3.01Å; L661-I664 VanDerWaalsContact O-N 3.1Å; T662-I664 PolarHBondContact O-N 3.01Å; I664-V666 PolarHBondContact O-N 2.67Å |
| 665 | A | 43.9 | Very low | 41.3 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 2.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | L661 T662 | L661-A665 PolarHBondContact O-N 3.33Å; T662-A665 PolarHBondContact O-N 2.93Å |
| 666 | V | 41.7 | Very low | 40.4 | Very low | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 27.1 | 179 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | T662 I664 | T662-V666 WeakPolarHBondContact O-CG2 3.2Å; I664-V666 PolarHBondContact O-N 2.67Å |
| 667 | S | 34.7 | Very low | 40 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -110.4 | 110.9 | 154.4 | -158.7 | 0 | 0 | 0 | 0 | 107.2 | ||
| 668 | N | 37.2 | Very low | 40.2 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | trans | -74.2 | 129.8 | -166 | -64.3 | -14.6 | 0 | 0 | 0 | 112.3 | ||||
| 669 | Q | 37 | Very low | 39.5 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | -164.4 | 149.1 | 126.4 | -97.2 | -64.4 | 19.5 | 0 | 0 | 108.7 | |||||
| 670 | I | 38.6 | Very low | 38.9 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -106.6 | 113.6 | -173.8 | -61.4 | 169.9 | 0 | 0 | 0 | 110.5 | ||||
| 671 | L | 34.8 | Very low | 38.7 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -149.3 | 132.8 | 163.6 | -96.2 | 167.1 | 0 | 0 | 0 | 109.3 | ||||
| 672 | P | 41.4 | Very low | 38.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135.8 | 176.8 | 31.1 | -32.7 | 0 | 0 | 0 | 111.1 | ||
| 673 | P | 36.9 | Very low | 37.6 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 146.2 | 170.4 | 29.1 | -33.8 | 0 | 0 | 0 | 110.8 | ||
| 674 | P | 32.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 159.3 | -176.4 | 29.3 | -35.8 | 0 | 0 | 0 | 112.9 | ||
| 675 | A | 39.2 | Very low | 36.7 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -82.4 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 676 | T | 31.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 89.9 | 154.9 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 677 | P | 37.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | -127.5 | 166.9 | -50.1 | 36.2 | -24.3 | 0 | 0 | 0 | 112.8 | |||||
| 678 | K | 44.6 | Very low | 35.4 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -91.4 | 118.1 | 175.7 | -60.8 | 174.4 | -177.7 | 175.2 | 0 | 111.4 | ||||
| 679 | T | 34.2 | Very low | 35 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -175.3 | 163.5 | 143.4 | 17.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 680 | A | 29.4 | Very low | 35 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 74.3 | 103.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 681 | T | 39.1 | Very low | 35.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -47.1 | 127.7 | 150.3 | 47.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 682 | R | 34 | Very low | 35.3 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | 177.4 | 122.6 | 125.2 | -101.3 | -175.5 | 163 | 178.8 | -5.1 | 108.9 | |||||
| 683 | S | 31.2 | Very low | 35.2 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 62% | 0.622 | 82% | 0.816 | S | S | * | * | 74.2 | 106.2 | 79.1 | -170.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 684 | L | 30.6 | Very low | 35.2 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | trans | -125.9 | 105.2 | 152.9 | -74.5 | 177.9 | 0 | 0 | 0 | 108.1 | ||||
| 685 | L | 40.5 | Very low | 35.6 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -126.1 | 131.4 | 166.2 | -77.4 | 177.6 | 0 | 0 | 0 | 108.7 | ||||
| 686 | R | 31.5 | Very low | 35.6 | Very low | 246 Ų | 246 | 144.7 Ų | 144.7 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | 176.4 | 132.8 | 163 | -100.3 | 165.2 | -161 | 169.7 | 4.8 | 104.8 | ||||
| 687 | S | 28.9 | Very low | 35.9 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | cis | -154.5 | 165.1 | 15.2 | -75 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 688 | T | 32.8 | Very low | 36 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -164.9 | 119.6 | -13.9 | 23.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 689 | S | 29.4 | Very low | 35.9 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -157.5 | 154.9 | 152.8 | 57 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 690 | S | 36.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -107.1 | 158.9 | -168.9 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 691 | E | 40.9 | Very low | 36.8 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 78.4 | 143.3 | -160.6 | 156.9 | -122.1 | 0 | 0 | 118 | ||||
| 692 | I | 38.2 | Very low | 36.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -152.8 | 129.6 | 132.1 | -97.9 | 144.3 | 0 | 0 | 0 | 108 | ||||
| 693 | T | 39.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 122 | 178.1 | -54 | 0 | 0 | 0 | 0 | 109.8 | ||
| 694 | P | 37.3 | Very low | 38.2 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.3 | 172.2 | 27.5 | -33 | 0 | 0 | 0 | 109.2 | V696 | P694-V696 PolarHBondContact O-N 2.76Š|
| 695 | P | 41.1 | Very low | 39 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.2 | -177.3 | 26.5 | -33.9 | 0 | 0 | 0 | 110.7 | L697 | P695-L697 PolarHBondContact O-N 3.05Š|
| 696 | V | 38.5 | Very low | 39.8 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | trans | -66.4 | 105.9 | 173 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | P694 | P694-V696 PolarHBondContact O-N 2.76Š| ||
| 697 | L | 37.7 | Very low | 40.9 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -64.8 | 128.8 | 172.3 | -68.5 | 177.2 | 0 | 0 | 0 | 109.2 | P695 | P695-L697 PolarHBondContact O-N 3.05Š| ||
| 698 | P | 39.6 | Very low | 42.5 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -57.6 | 146.2 | 177.4 | -26.5 | 35.3 | 0 | 0 | 0 | 112.4 | I700 | P698-I700 WeakPolarHBondContact O-CG1 3.31Å; P698-I700 PolarHBondContact O-N 2.99Å | ||
| 699 | L | 42.8 | Very low | 44.8 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -69.2 | 93.3 | 171.9 | -176.1 | 72.6 | 0 | 0 | 0 | 109.1 | T701 | L699-T701 HydrophobicContact CD2-CG2 4.16Å; L699-T701 HydrophobicContact CG-CG2 4.19Å; L699-T701 PolarHBondContact O-N 3.21Å | ||
| 700 | I | 40.9 | Very low | 47.3 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -71.6 | 92.3 | -179.8 | -47.4 | 179.8 | 0 | 0 | 0 | 109.1 | P698 D702 | P698-I700 WeakPolarHBondContact O-CG1 3.31Å; P698-I700 PolarHBondContact O-N 2.99Å; I700-D702 VanDerWaalsContact C-N 3.31Å | ||
| 701 | T | 42.5 | Very low | 49.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -80.1 | -13 | 174.8 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | L699 | L699-T701 HydrophobicContact CD2-CG2 4.16Å; L699-T701 HydrophobicContact CG-CG2 4.19Å; L699-T701 PolarHBondContact O-N 3.21Å | ||
| 702 | D | 40.7 | Very low | 51.9 | Low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -83.3 | 129.5 | -175.5 | -67.4 | -32.5 | 0 | 0 | 0 | 112.3 | I700 T704 | I700-D702 VanDerWaalsContact C-N 3.31Å; D702-T704 PolarHBondContact O-N 2.97Å |
| 703 | A | 45 | Very low | 54.3 | Low | 104 Ų | 104 | 122.8 Ų | 122.8 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -72.7 | 61.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P705 | A703-P705 WeakPolarHBondContact O-CD 3.42Š| ||
| 704 | T | 47.3 | Very low | 56.8 | Low | 106 Ų | 106 | 123 Ų | 123 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -59.5 | 120.3 | 167.5 | -55.3 | 0 | 0 | 0 | 0 | 107.8 | D702 V706 | D702-T704 PolarHBondContact O-N 2.97Å; T704-V706 PolarHBondContact O-N 3.46Å | ||
| 705 | P | 48.3 | Very low | 59.3 | Low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | trans | -65.3 | 114.2 | -177.7 | 25.2 | -32.9 | 0 | 0 | 0 | 109.2 | A703 C707 | A703-P705 WeakPolarHBondContact O-CD 3.42Å; P705-C707 PolarHBondContact O-N 3.27Å | ||
| 706 | V | 55.9 | Low | 61.7 | Low | 96 Ų | 96 | 123.1 Ų | 123.1 | 58% | 0.582 | 69% | 0.685 | S | S | * | * | trans | -57.1 | 112.1 | 172.8 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | T704 L708 | T704-V706 PolarHBondContact O-N 3.46Å; V706-L708 PolarHBondContact O-N 3.33Å | ||
| 707 | C | 54.1 | Low | 64.1 | Low | 56 Ų | 56 | 124 Ų | 124 | 38% | 0.378 | 68% | 0.681 | S | S | . | * | trans | -69 | 105.8 | -173.3 | -165.8 | 0 | 0 | 0 | 0 | 109 | P705 E709 R711 | P705-C707 PolarHBondContact O-N 3.27Å; C707-E709 PolarHBondContact O-N 3.27Å; C707-E709 VanDerWaalsContact SG-CB 3.6Å; C707-R711 PolarHBondContact SG-NE 3.42Å; C707-R711 PolarHBondContact SG-NH2 3.28Å | ||
| 708 | L | 64.3 | Low | 66.6 | Low | 143 Ų | 143 | 123 Ų | 123 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | trans | -70.9 | -3.3 | 178.3 | -64.6 | 175.4 | 0 | 0 | 0 | 113.2 | P648 V706 | P648-L708 HydrophobicContact CG-CD2 3.82Å; V706-L708 PolarHBondContact O-N 3.33Å | ||
| 709 | E | 79.5 | Confident | 69.2 | Low | 130 Ų | 130 | 122.8 Ų | 122.8 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -72 | 129.1 | 173.1 | -169.3 | 174.4 | -148.6 | 0 | 0 | 109.8 | C707 R711 | C707-E709 PolarHBondContact O-N 3.27Å; C707-E709 VanDerWaalsContact SG-CB 3.6Å; E709-R711 PolarHBondContact O-N 3.27Å |
| 710 | P | 82.6 | Confident | 71.6 | Confident | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 65% | 0.652 | S | S | * | * | trans | -67.5 | 109.1 | -180 | 27.1 | -33.7 | 0 | 0 | 0 | 110.5 | ||||
| 711 | R | 82.2 | Confident | 74.1 | Confident | 176 Ų | 176 | 121.9 Ų | 121.9 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 148.4 | 179.9 | -70.6 | 174.1 | 176.8 | -148.9 | -7.5 | 111.6 | C707 E709 N713 | C707-R711 PolarHBondContact SG-NE 3.42Å; C707-R711 PolarHBondContact SG-NH2 3.28Å; E709-R711 PolarHBondContact O-N 3.27Å; R711-N713 PolarHBondContact O-N 3.07Å |
| 712 | I | 90.9 | Very high | 76.3 | Confident | 157 Ų | 157 | 123.7 Ų | 123.7 | 81% | 0.805 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 120.6 | 170.7 | -59 | 175.1 | 0 | 0 | 0 | 107.8 | I714 | I712-I714 HydrophobicContact CG2-CG1 4.37Š|
| 713 | N | 89.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 136.4 | 174 | -68 | -24.1 | 0 | 0 | 0 | 109.9 | R711 Y718 | R711-N713 PolarHBondContact O-N 3.07Å; N713-Y718 HydrophobicContact CB-CD1 3.73Å; N713-Y718 HydrophobicContact CB-CD2 3.61Å; N713-Y718 HydrophobicContact CB-CE1 3.81Å; N713-Y718 HydrophobicContact CB-CE2 3.69Å; N713-Y718 HydrophobicContact CB-CG 3.63Å |
| 714 | I | 92 | Very high | 80.6 | Confident | 135 Ų | 135 | 125.3 Ų | 125.3 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | trans | -127.7 | 126.6 | -177.4 | -58.1 | 178.7 | 0 | 0 | 0 | 109.6 | I712 | I712-I714 HydrophobicContact CG2-CG1 4.37Š| ||
| 715 | G | 90.1 | Very high | 82.3 | Confident | 19 Ų | 19 | 128.7 Ų | 128.7 | 20% | 0.196 | 68% | 0.678 | C | S | . | * | S | Bend | trans | 159.8 | 169.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q717 Y718 Q719 | G715-Q717 PolarHBondContact O-N 3.41Å; G715-Q717 VanDerWaalsContact O-N 3.11Å; G715-Y718 PolarHBondContact O-N 2.83Å; G715-Q719 PolarHBondContact O-N 3.41Å; G715-Q719 PolarHBondContact O-OE1 3.04Å; G715-Q719 VanDerWaalsContact O-OE1 3.08Å |
| 716 | Q | 90.4 | Very high | 84 | Confident | 197 Ų | 197 | 129.8 Ų | 129.8 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -24.7 | 179.8 | -70.3 | 170.5 | -22.3 | 0 | 0 | 113.6 | Y718 | Q716-Y718 VanDerWaalsContact C-N 3.26Å; Q716-Y718 PolarHBondContact O-N 3.39Å |
| 717 | Q | 89.2 | Confident | 85.3 | Confident | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 0.8 | 173.8 | 71.1 | -147.8 | -48.1 | 0 | 0 | 114.6 | G715 | G715-Q717 PolarHBondContact O-N 3.41Å; G715-Q717 VanDerWaalsContact O-N 3.11Å |
| 718 | Y | 91.4 | Very high | 86.3 | Confident | 129 Ų | 129 | 135.4 Ų | 135.4 | 51% | 0.506 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.9 | -34.1 | -176.5 | -58.9 | -63.7 | 0 | 0 | 0 | 113.4 | N713 G715 Q716 | N713-Y718 HydrophobicContact CB-CD1 3.73Å; N713-Y718 HydrophobicContact CB-CD2 3.61Å; N713-Y718 HydrophobicContact CB-CE1 3.81Å; N713-Y718 HydrophobicContact CB-CE2 3.69Å; N713-Y718 HydrophobicContact CB-CG 3.63Å; G715-Y718 PolarHBondContact O-N 2.83Å; Q716-Y718 VanDerWaalsContact C-N 3.26Å; Q716-Y718 PolarHBondContact O-N 3.39Å |
| 719 | Q | 94.1 | Very high | 86.9 | Confident | 101 Ų | 101 | 132.8 Ų | 132.8 | 47% | 0.472 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -79.2 | 145 | 168.3 | -75 | 91.8 | -91.1 | 0 | 0 | 110.8 | G715 | G715-Q719 PolarHBondContact O-N 3.41Å; G715-Q719 PolarHBondContact O-OE1 3.04Å; G715-Q719 VanDerWaalsContact O-OE1 3.08Å |
| 720 | A | 93.1 | Very high | 86.5 | Confident | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 141.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I722 | A720-I722 PolarHBondContact O-N 3.32Š|
| 721 | E | 92.1 | Very high | 85.9 | Confident | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126.7 | 161 | -173.5 | 168.1 | -157.7 | 0 | 0 | 108.3 | P723 | E721-P723 WeakPolarHBondContact O-CD 3.07Š|
| 722 | I | 90.2 | Very high | 85.4 | Confident | 150 Ų | 150 | 125.4 Ų | 125.4 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -96.7 | 115.4 | -178.7 | -59 | 176.8 | 0 | 0 | 0 | 107 | A720 | A720-I722 PolarHBondContact O-N 3.32Š| ||
| 723 | P | 86.9 | Confident | 84.5 | Confident | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 66% | 0.658 | S | S | * | * | trans | -64.2 | 145.3 | 177.8 | -21.5 | 33.7 | 0 | 0 | 0 | 111.9 | E721 | E721-P723 WeakPolarHBondContact O-CD 3.07Š| ||
| 724 | D | 87.3 | Confident | 83.9 | Confident | 153 Ų | 153 | 126.8 Ų | 126.8 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | -60.9 | 148.4 | 171.3 | -72.3 | -51.5 | 0 | 0 | 0 | 111.7 | Q726 | D724-Q726 PolarHBondContact O-N 2.99Å; D724-Q726 VanDerWaalsContact O-N 3.1Å | ||
| 725 | L | 84.8 | Confident | 83.4 | Confident | 178 Ų | 178 | 128.4 Ų | 128.4 | 93% | 0.932 | 67% | 0.669 | S | S | * | * | trans | -69.9 | 106.9 | -179.3 | -177.4 | 66.8 | 0 | 0 | 0 | 110.4 | ||||
| 726 | Q | 83.6 | Confident | 82.9 | Confident | 137 Ų | 137 | 135.4 Ų | 135.4 | 64% | 0.64 | 70% | 0.697 | S | S | * | * | trans | -75.2 | 147.3 | 178.6 | -62 | -170.2 | 16.7 | 0 | 0 | 112.9 | D724 | D724-Q726 PolarHBondContact O-N 2.99Å; D724-Q726 VanDerWaalsContact O-N 3.1Å | ||
| 727 | D | 83.4 | Confident | 82.7 | Confident | 122 Ų | 122 | 135.5 Ų | 135.5 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | trans | -67.1 | 149.7 | 172.9 | -77.5 | -53.8 | 0 | 0 | 0 | 112.6 | P729 S730 S731 | D727-P729 HydrophobicContact CB-CG 4.4Å; D727-S730 WeakPolarHBondContact O-CB 3.21Å; D727-S730 PolarHBondContact O-N 3.21Å; D727-S731 PolarHBondContact O-N 2.93Å | ||
| 728 | Q | 74.8 | Confident | 82.5 | Confident | 149 Ų | 149 | 130.9 Ų | 130.9 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -53.7 | -42.3 | -175.9 | -162.3 | 169.2 | 7.8 | 0 | 0 | 115.7 | S730 S731 Q732 | Q728-S730 VanDerWaalsContact C-N 3.3Å; Q728-S730 PolarHBondContact O-N 2.8Å; Q728-S731 PolarHBondContact O-N 3.46Å; Q728-S731 PolarHBondContact O-OG 3.29Å; Q728-Q732 PolarHBondContact O-N 3.2Å |
| 729 | P | 76.4 | Confident | 82 | Confident | 87 Ų | 87 | 129 Ų | 129 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.6 | -32.4 | 173.9 | 24.1 | -35.8 | 0 | 0 | 0 | 113.7 | D727 S731 Q732 | D727-P729 HydrophobicContact CB-CG 4.4Å; P729-S731 VanDerWaalsContact C-N 3.33Å; P729-Q732 PolarHBondContact O-N 3.04Å |
| 730 | S | 71.9 | Confident | 81.6 | Confident | 59 Ų | 59 | 129.5 Ų | 129.5 | 41% | 0.413 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -65.5 | -39.7 | 174.9 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | D727 Q728 Q732 M733 | D727-S730 WeakPolarHBondContact O-CB 3.21Å; D727-S730 PolarHBondContact O-N 3.21Å; Q728-S730 VanDerWaalsContact C-N 3.3Å; Q728-S730 PolarHBondContact O-N 2.8Å; S730-Q732 PolarHBondContact O-N 3Å; S730-M733 PolarHBondContact O-N 3.27Å |
| 731 | S | 70.1 | Confident | 81.1 | Confident | 69 Ų | 69 | 128.5 Ų | 128.5 | 48% | 0.483 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -66.2 | -17.1 | 174.8 | 74.4 | 0 | 0 | 0 | 0 | 114.6 | D727 Q728 P729 | D727-S731 PolarHBondContact O-N 2.93Å; Q728-S731 PolarHBondContact O-N 3.46Å; Q728-S731 PolarHBondContact O-OG 3.29Å; P729-S731 VanDerWaalsContact C-N 3.33Å |
| 732 | Q | 70.4 | Confident | 80.9 | Confident | 152 Ų | 152 | 124 Ų | 124 | 71% | 0.71 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -13.2 | 173.2 | -68.9 | -179.6 | -23 | 0 | 0 | 113.2 | Q728 P729 S730 | Q728-Q732 PolarHBondContact O-N 3.2Å; P729-Q732 PolarHBondContact O-N 3.04Å; S730-Q732 PolarHBondContact O-N 3Å |
| 733 | M | 71.9 | Confident | 80.5 | Confident | 158 Ų | 158 | 121.6 Ų | 121.6 | 78% | 0.778 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -12.6 | 172.4 | -67.5 | -101.7 | 64.4 | 0 | 0 | 112.6 | S730 Q735 | S730-M733 PolarHBondContact O-N 3.27Å; M733-Q735 PolarHBondContact O-N 2.89Å |
| 734 | D | 78.5 | Confident | 80.3 | Confident | 122 Ų | 122 | 120.6 Ų | 120.6 | 65% | 0.652 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -71.6 | 120.3 | 176.7 | -169.4 | 24.6 | 0 | 0 | 0 | 110.4 | H736 | D734-H736 PolarHBondContact O-N 3.3Š|
| 735 | Q | 80.7 | Confident | 79.6 | Confident | 169 Ų | 169 | 116.5 Ų | 116.5 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | trans | -78.9 | 113.6 | -178.3 | -71.1 | -175.4 | -9.1 | 0 | 0 | 109.8 | M733 K737 | M733-Q735 PolarHBondContact O-N 2.89Å; Q735-K737 PolarHBondContact O-N 3.4Å; Q735-K737 VanDerWaalsContact O-N 3.15Å | ||
| 736 | H | 80.5 | Confident | 78.4 | Confident | 167 Ų | 167 | 114.1 Ų | 114.1 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | trans | -60.6 | 117.7 | 179.7 | -167.9 | -102.8 | 0 | 0 | 0 | 111.1 | D734 A738 | D734-H736 PolarHBondContact O-N 3.3Å; H736-A738 PolarHBondContact ND1-O 2.92Å; H736-A738 PolarHBondContact O-N 3.1Å | ||
| 737 | K | 85.1 | Confident | 77.1 | Confident | 199 Ų | 199 | 114.1 Ų | 114.1 | 87% | 0.865 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -78.8 | 22.9 | -170.7 | -58 | 179.7 | -177.4 | 172.3 | 0 | 114.6 | Q735 | Q735-K737 PolarHBondContact O-N 3.4Å; Q735-K737 VanDerWaalsContact O-N 3.15Å |
| 738 | A | 84.7 | Confident | 75.9 | Confident | 61 Ų | 61 | 113 Ų | 113 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -141.3 | 134.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | H736 | H736-A738 PolarHBondContact ND1-O 2.92Å; H736-A738 PolarHBondContact O-N 3.1Å |
| 739 | D | 82.2 | Confident | 75 | Confident | 90 Ų | 90 | 113 Ų | 113 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | trans | -76.9 | 146 | -177 | -61 | -78.2 | 0 | 0 | 0 | 113.3 | V741 H810 L811 | D739-V741 PolarHBondContact O-N 3.2Å; D739-H810 WeakPolarHBondContact CB-ND1 3.36Å; D739-H810 VanDerWaalsContact CG-ND1 3.26Å; D739-H810 IonicContact OD1-CE1 3.65Å; D739-H810 IonicContact OD1-CG 3.68Å; D739-H810 IonicContact OD1-ND1 2.73Å; D739-H810 PolarHBondContact OD1-ND1 2.95Å; D739-L811 HydrophobicContact CB-CD1 4.46Å | ||
| 740 | L | 84.6 | Confident | 74.2 | Confident | 110 Ų | 110 | 112.4 Ų | 112.4 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | trans | -84.4 | 98.7 | 175.7 | -177.9 | 66.1 | 0 | 0 | 0 | 110.4 | W742 H785 | L740-W742 WeakPolarHBondContact CD1-O 3.34Å; L740-H785 PolarHBondContact O-CE1 3.04Å | ||
| 741 | V | 83.9 | Confident | 74 | Confident | 66 Ų | 66 | 116.4 Ų | 116.4 | 40% | 0.4 | 60% | 0.602 | S | S | . | * | trans | -92.8 | -14.6 | 179.7 | -62.8 | 0 | 0 | 0 | 0 | 114.8 | D739 H785 L811 | D739-V741 PolarHBondContact O-N 3.2Å; V741-H785 PolarHBondContact O-ND1 3.3Å; V741-L811 HydrophobicContact CG1-CD1 3.31Å | ||
| 742 | W | 86.2 | Confident | 73.8 | Confident | 95 Ų | 95 | 119.8 Ų | 119.8 | 36% | 0.36 | 61% | 0.61 | S | S | . | * | trans | -159.5 | 135.4 | -179.1 | -178.3 | -95.3 | 0 | 0 | 0 | 110.5 | L740 L781 L784 H785 | L740-W742 WeakPolarHBondContact CD1-O 3.34Å; W742-L781 HydrophobicContact CE3-CB 4.15Å; W742-L781 HydrophobicContact CH2-CD2 4.01Å; W742-L781 HydrophobicContact CZ3-CB 4.12Å; W742-L781 HydrophobicContact CZ3-CD2 3.89Å; W742-L781 WeakPolarHBondContact CZ3-O 3.41Å; W742-L784 HydrophobicContact CH2-CD2 4.26Å; W742-L784 HydrophobicContact CZ3-CB 4.5Å; W742-L784 HydrophobicContact CZ3-CD2 4.32Å; W742-H785 HydrophobicContact CE3-CB 3.89Å; W742-H785 HydrophobicContact CZ3-CB 4.29Å | ||
| 743 | H | 83.5 | Confident | 73.5 | Confident | 100 Ų | 100 | 115.3 Ų | 115.3 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | trans | -116.8 | 126.2 | 171.6 | -171.3 | -72.2 | 0 | 0 | 0 | 109.6 | L745 H785 | H743-L745 PolarHBondContact O-N 2.95Å; H743-H785 PolarHBondContact N-CD2 2.89Å; H743-H785 VanDerWaalsContact N-CD2 3.29Å; H743-H785 PolarHBondContact N-NE2 2.95Å | ||
| 744 | P | 80.8 | Confident | 73.7 | Confident | 90 Ų | 90 | 110.4 Ų | 110.4 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | trans | -60.9 | 122.5 | 173 | -21.9 | 33.6 | 0 | 0 | 0 | 111.2 | ||||
| 745 | L | 72.8 | Confident | 73.8 | Confident | 67 Ų | 67 | 111.3 Ų | 111.3 | 35% | 0.351 | 57% | 0.573 | S | S | . | * | trans | -56.6 | 138.8 | 173 | -87.3 | 157.9 | 0 | 0 | 0 | 110.8 | H743 N747 D789 | H743-L745 PolarHBondContact O-N 2.95Å; L745-N747 PolarHBondContact O-N 2.88Å; L745-N747 PolarHBondContact O-OD1 3.39Å; L745-D789 WeakPolarHBondContact CD2-OD2 3.47Å | ||
| 746 | N | 59.7 | Low | 74 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | trans | -81.1 | 113.5 | 172.1 | -85.6 | -44.9 | 0 | 0 | 0 | 109.2 | S748 | N746-S748 PolarHBondContact O-N 2.94Š| ||
| 747 | N | 57 | Low | 74.3 | Confident | 137 Ų | 137 | 103 Ų | 103 | 73% | 0.733 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 14 | -175.5 | -59.3 | -2.8 | 0 | 0 | 0 | 115.9 | L745 N749 | L745-N747 PolarHBondContact O-N 2.88Å; L745-N747 PolarHBondContact O-OD1 3.39Å; N747-N749 VanDerWaalsContact C-N 3.33Å; N747-N749 PolarHBondContact O-N 2.94Å |
| 748 | S | 58.5 | Low | 74.4 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 70% | 0.699 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.7 | -175.4 | -49.8 | 0 | 0 | 0 | 0 | 114.2 | N746 | N746-S748 PolarHBondContact O-N 2.94Š|
| 749 | N | 54.7 | Low | 74.6 | Confident | 149 Ų | 149 | 98.6 Ų | 98.6 | 80% | 0.797 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -129.5 | -3.1 | -173 | -69.2 | -46.8 | 0 | 0 | 0 | 114.3 | N747 K751 | N747-N749 VanDerWaalsContact C-N 3.33Å; N747-N749 PolarHBondContact O-N 2.94Å; N749-K751 PolarHBondContact O-N 2.93Å |
| 750 | Q | 61 | Low | 74.9 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 34% | 0.341 | 52% | 0.519 | S | S | . | . | trans | -75.7 | 128 | -169.2 | -162.1 | 161.1 | 10.3 | 0 | 0 | 111 | D754 | Q750-D754 HydrophobicContact CG-CB 3.88Š| ||
| 751 | K | 66.3 | Low | 75.2 | Confident | 143 Ų | 143 | 95.6 Ų | 95.6 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | trans | -90.8 | 156.6 | 176.7 | -59.2 | 162.3 | -171.5 | 159.4 | 0 | 109.1 | N749 S753 D754 | N749-K751 PolarHBondContact O-N 2.93Å; K751-S753 VanDerWaalsContact CB-OG 3.28Å; K751-S753 WeakPolarHBondContact CB-OG 3.45Å; K751-S753 PolarHBondContact O-N 3.42Å; K751-D754 WeakPolarHBondContact CB-OD2 3.34Å; K751-D754 PolarHBondContact N-OD2 3.49Å; K751-D754 WeakPolarHBondContact O-CB 3.47Å; K751-D754 PolarHBondContact O-N 3.24Å | ||
| 752 | Q | 66.8 | Low | 75.4 | Confident | 140 Ų | 140 | 94.2 Ų | 94.2 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.2 | -30.2 | 175.3 | -169.2 | -176.6 | -31.4 | 0 | 0 | 112.7 | D754 E755 E756 | Q752-D754 PolarHBondContact O-N 3.11Å; Q752-E755 PolarHBondContact O-N 3.06Å; Q752-E756 PolarHBondContact NE2-OE1 3.2Å; Q752-E756 WeakPolarHBondContact O-CG 3.21Å; Q752-E756 PolarHBondContact O-N 3.25Å; Q752-E756 VanDerWaalsContact O-N 3.11Å |
| 753 | S | 63.8 | Low | 75.6 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56 | -31.4 | 171.4 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | K751 T757 | K751-S753 VanDerWaalsContact CB-OG 3.28Å; K751-S753 WeakPolarHBondContact CB-OG 3.45Å; K751-S753 PolarHBondContact O-N 3.42Å; S753-T757 WeakPolarHBondContact O-CB 3.49Å; S753-T757 PolarHBondContact O-N 3.17Å; S753-T757 PolarHBondContact O-OG1 3.42Å |
| 754 | D | 75.6 | Confident | 75.9 | Confident | 55 Ų | 55 | 92.3 Ų | 92.3 | 29% | 0.294 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -85.5 | -37.5 | -168.4 | -42.6 | -18.6 | 0 | 0 | 0 | 109.1 | Q750 K751 Q752 T757 I758 | Q750-D754 HydrophobicContact CG-CB 3.88Å; K751-D754 WeakPolarHBondContact CB-OD2 3.34Å; K751-D754 PolarHBondContact N-OD2 3.49Å; K751-D754 WeakPolarHBondContact O-CB 3.47Å; K751-D754 PolarHBondContact O-N 3.24Å; Q752-D754 PolarHBondContact O-N 3.11Å; D754-T757 PolarHBondContact O-N 3.39Å; D754-I758 VanDerWaalsContact O-CG1 3.3Å; D754-I758 WeakPolarHBondContact O-CG1 3.32Å; D754-I758 PolarHBondContact O-N 3.46Å |
| 755 | E | 81.3 | Confident | 76.3 | Confident | 141 Ų | 141 | 88 Ų | 88 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 167.4 | -176 | 175.7 | -165.6 | 0 | 0 | 111.2 | Q752 T757 I758 E759 | Q752-E755 PolarHBondContact O-N 3.06Å; E755-T757 VanDerWaalsContact C-N 3.31Å; E755-T757 PolarHBondContact O-N 2.92Å; E755-I758 PolarHBondContact O-N 3.09Å; E755-E759 PolarHBondContact O-N 3.39Å |
| 756 | E | 85.6 | Confident | 77 | Confident | 91 Ų | 91 | 87.5 Ų | 87.5 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 175 | -72.4 | 174.4 | -160.7 | 0 | 0 | 111.5 | Q752 E759 H760 | Q752-E756 PolarHBondContact NE2-OE1 3.2Å; Q752-E756 WeakPolarHBondContact O-CG 3.21Å; Q752-E756 PolarHBondContact O-N 3.25Å; Q752-E756 VanDerWaalsContact O-N 3.11Å; E756-E759 PolarHBondContact O-N 3.07Å; E756-H760 PolarHBondContact O-N 2.75Å; E756-H760 PolarHBondContact O-ND1 2.89Å |
| 757 | T | 86.7 | Confident | 78.3 | Confident | 70 Ų | 70 | 83.1 Ų | 83.1 | 43% | 0.429 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | S753 D754 E755 H760 F761 I791 | S753-T757 WeakPolarHBondContact O-CB 3.49Å; S753-T757 PolarHBondContact O-N 3.17Å; S753-T757 PolarHBondContact O-OG1 3.42Å; D754-T757 PolarHBondContact O-N 3.39Å; E755-T757 VanDerWaalsContact C-N 3.31Å; E755-T757 PolarHBondContact O-N 2.92Å; T757-H760 PolarHBondContact O-N 2.88Å; T757-F761 PolarHBondContact O-N 3.33Å; T757-I791 HydrophobicContact CG2-CD1 3.64Å |
| 758 | I | 86.4 | Confident | 79.5 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 23% | 0.226 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 172.3 | -68 | 164.1 | 0 | 0 | 0 | 110.8 | D754 E755 H760 F761 M762 I791 | D754-I758 VanDerWaalsContact O-CG1 3.3Å; D754-I758 WeakPolarHBondContact O-CG1 3.32Å; D754-I758 PolarHBondContact O-N 3.46Å; E755-I758 PolarHBondContact O-N 3.09Å; I758-H760 VanDerWaalsContact C-N 3.34Å; I758-H760 PolarHBondContact O-N 3.47Å; I758-F761 PolarHBondContact O-N 3.31Å; I758-M762 HydrophobicContact CG2-CG 4.44Å; I758-M762 WeakPolarHBondContact O-CG 3.32Å; I758-M762 PolarHBondContact O-N 3.2Å; I758-I791 HydrophobicContact CG1-CD1 4.34Å |
| 759 | E | 88.7 | Confident | 80.6 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 58% | 0.579 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 174 | -166.7 | -174.4 | 178.8 | 0 | 0 | 111.5 | E755 E756 M762 N763 | E755-E759 PolarHBondContact O-N 3.39Å; E756-E759 PolarHBondContact O-N 3.07Å; E759-M762 PolarHBondContact O-N 3.49Å; E759-N763 WeakPolarHBondContact O-CB 3.38Å; E759-N763 PolarHBondContact O-N 3.43Å; E759-N763 PolarHBondContact O-ND2 2.99Å |
| 760 | H | 90 | Very high | 81.8 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 61% | 0.611 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.5 | -40 | 174.4 | -74.8 | 83.6 | 0 | 0 | 0 | 112.2 | E756 T757 I758 N763 L764 | E756-H760 PolarHBondContact O-N 2.75Å; E756-H760 PolarHBondContact O-ND1 2.89Å; T757-H760 PolarHBondContact O-N 2.88Å; I758-H760 VanDerWaalsContact C-N 3.34Å; I758-H760 PolarHBondContact O-N 3.47Å; H760-N763 PolarHBondContact O-N 2.9Å; H760-L764 WeakPolarHBondContact O-CB 3.32Å; H760-L764 PolarHBondContact O-N 3.23Å |
| 761 | F | 89.3 | Confident | 82.3 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 2% | 0.022 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 173.7 | 173.4 | -104 | 0 | 0 | 0 | 112.1 | T757 I758 L764 A765 A780 L784 I791 T794 L795 L798 | T757-F761 PolarHBondContact O-N 3.33Å; I758-F761 PolarHBondContact O-N 3.31Å; F761-L764 WeakPolarHBondContact O-CB 3.45Å; F761-L764 PolarHBondContact O-N 2.95Å; F761-A765 PolarHBondContact O-N 3.31Å; F761-A780 HydrophobicContact CE1-CB 4.03Å; F761-A780 HydrophobicContact CZ-CB 3.94Å; F761-L784 HydrophobicContact CD1-CD2 4.26Å; F761-L784 HydrophobicContact CE1-CB 4.3Å; F761-L784 HydrophobicContact CE1-CD2 4.13Å; F761-I791 HydrophobicContact CB-CD1 4.47Å; F761-I791 HydrophobicContact CB-CG2 4.28Å; F761-I791 HydrophobicContact CD2-CG2 3.8Å; F761-I791 HydrophobicContact CE2-CG2 4.5Å; F761-I791 HydrophobicContact CG-CG2 4.24Å; F761-T794 HydrophobicContact CE2-CG2 3.92Å; F761-T794 HydrophobicContact CZ-CG2 3.55Å; F761-L795 HydrophobicContact CD2-CD2 4.04Å; F761-L795 HydrophobicContact CD2-CG 4.41Å; F761-L795 HydrophobicContact CE2-CD2 3.87Å; F761-L795 HydrophobicContact CE2-CG 4.29Å; F761-L798 HydrophobicContact CE2-CD1 4.24Å; F761-L798 HydrophobicContact CZ-CD1 4.01Å |
| 762 | M | 89.6 | Confident | 82.6 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -34.4 | 176.8 | -68 | -52 | -61 | 0 | 0 | 112.7 | I758 E759 A765 C766 Q777 L781 | I758-M762 HydrophobicContact CG2-CG 4.44Å; I758-M762 WeakPolarHBondContact O-CG 3.32Å; I758-M762 PolarHBondContact O-N 3.2Å; E759-M762 PolarHBondContact O-N 3.49Å; M762-A765 PolarHBondContact O-N 3.12Å; M762-C766 PolarHBondContact O-N 3.35Å; M762-C766 VanDerWaalsContact O-N 3.07Å; M762-C766 PolarHBondContact O-SG 3.03Å; M762-Q777 HydrophobicContact CE-CB 3.85Å; M762-Q777 HydrophobicContact CE-CG 4.03Å; M762-L781 HydrophobicContact CE-CD1 4.1Å; M762-L781 HydrophobicContact CE-CD2 4.26Å; M762-L781 HydrophobicContact CE-CG 3.97Å; M762-L781 HydrophobicContact SD-CD2 3.63Å; M762-L781 HydrophobicContact SD-CG 3.88Å |
| 763 | N | 90.1 | Very high | 82.8 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 170.9 | -79.9 | -62.3 | 0 | 0 | 0 | 112 | E759 H760 C766 S767 | E759-N763 WeakPolarHBondContact O-CB 3.38Å; E759-N763 PolarHBondContact O-N 3.43Å; E759-N763 PolarHBondContact O-ND2 2.99Å; H760-N763 PolarHBondContact O-N 2.9Å; N763-C766 WeakPolarHBondContact O-CB 3.11Å; N763-C766 PolarHBondContact O-N 3.39Å; N763-C766 VanDerWaalsContact O-N 3.13Å; N763-S767 PolarHBondContact O-N 3.24Å |
| 764 | L | 89.6 | Confident | 83.4 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 172.1 | -178.4 | 61.1 | 0 | 0 | 0 | 111.4 | H760 F761 C766 S767 V769 F770 L795 | H760-L764 WeakPolarHBondContact O-CB 3.32Å; H760-L764 PolarHBondContact O-N 3.23Å; F761-L764 WeakPolarHBondContact O-CB 3.45Å; F761-L764 PolarHBondContact O-N 2.95Å; L764-C766 PolarHBondContact O-N 3.47Å; L764-S767 VanDerWaalsContact O-CB 3.27Å; L764-S767 WeakPolarHBondContact O-CB 3.41Å; L764-S767 PolarHBondContact O-N 3.5Å; L764-S767 PolarHBondContact O-OG 2.91Å; L764-V769 HydrophobicContact CD1-CB 4.12Å; L764-V769 HydrophobicContact CD1-CG1 4.35Å; L764-V769 HydrophobicContact CD1-CG2 3.95Å; L764-F770 HydrophobicContact CG-CZ 4.3Å; L764-L795 HydrophobicContact CD2-CD1 4.36Å; L764-L795 HydrophobicContact CD2-CD2 3.66Å |
| 765 | A | 88.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -19.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | F761 M762 F770 G774 A780 | F761-A765 PolarHBondContact O-N 3.31Å; M762-A765 PolarHBondContact O-N 3.12Å; A765-F770 HydrophobicContact CB-CD2 3.96Å; A765-F770 HydrophobicContact CB-CE2 3.72Å; A765-G774 WeakPolarHBondContact O-CA 3.46Å; A765-G774 PolarHBondContact O-N 2.9Å; A765-G774 VanDerWaalsContact O-N 3.07Å; A765-A780 HydrophobicContact CB-CB 3.78Å |
| 766 | C | 87.5 | Confident | 83.7 | Confident | 55 Ų | 55 | 55 Ų | 55 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.5 | 170.3 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | M762 N763 L764 Q777 | M762-C766 PolarHBondContact O-N 3.35Å; M762-C766 VanDerWaalsContact O-N 3.07Å; M762-C766 PolarHBondContact O-SG 3.03Å; N763-C766 WeakPolarHBondContact O-CB 3.11Å; N763-C766 PolarHBondContact O-N 3.39Å; N763-C766 VanDerWaalsContact O-N 3.13Å; L764-C766 PolarHBondContact O-N 3.47Å; C766-Q777 PolarHBondContact SG-NE2 3.41Å |
| 767 | S | 86.8 | Confident | 83.9 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -89.2 | 168.1 | 178.6 | 82.4 | 0 | 0 | 0 | 0 | 111.9 | N763 L764 V769 G773 | N763-S767 PolarHBondContact O-N 3.24Å; L764-S767 VanDerWaalsContact O-CB 3.27Å; L764-S767 WeakPolarHBondContact O-CB 3.41Å; L764-S767 PolarHBondContact O-N 3.5Å; L764-S767 PolarHBondContact O-OG 2.91Å; S767-V769 PolarHBondContact O-N 3.25Å; S767-V769 VanDerWaalsContact O-N 3.09Å; S767-V769 WeakPolarHBondContact OG-CB 3.44Å; S767-V769 VanDerWaalsContact OG-CG2 3.3Å; S767-V769 WeakPolarHBondContact OG-CG2 3.32Å; S767-V769 PolarHBondContact OG-N 3.2Å; S767-G773 WeakPolarHBondContact O-CA 3.26Å |
| 768 | S | 81.9 | Confident | 83.9 | Confident | 120 Ų | 120 | 56.7 Ų | 56.7 | 84% | 0.839 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 13.5 | 174.2 | 61 | 0 | 0 | 0 | 0 | 114.5 | ||
| 769 | V | 82.4 | Confident | 84 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 42% | 0.424 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -31.9 | 175.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L764 S767 M799 | L764-V769 HydrophobicContact CD1-CB 4.12Å; L764-V769 HydrophobicContact CD1-CG1 4.35Å; L764-V769 HydrophobicContact CD1-CG2 3.95Å; S767-V769 PolarHBondContact O-N 3.25Å; S767-V769 VanDerWaalsContact O-N 3.09Å; S767-V769 WeakPolarHBondContact OG-CB 3.44Å; S767-V769 VanDerWaalsContact OG-CG2 3.3Å; S767-V769 WeakPolarHBondContact OG-CG2 3.32Å; S767-V769 PolarHBondContact OG-N 3.2Å; V769-M799 HydrophobicContact CG1-CE 3.54Å; V769-M799 HydrophobicContact CG1-CG 4.39Å; V769-M799 HydrophobicContact CG1-SD 3.7Å |
| 770 | F | 79.9 | Confident | 84 | Confident | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -102.3 | 161.4 | 170.7 | -50.6 | -26.5 | 0 | 0 | 0 | 110.8 | L764 A765 L795 L798 M799 | L764-F770 HydrophobicContact CG-CZ 4.3Å; A765-F770 HydrophobicContact CB-CD2 3.96Å; A765-F770 HydrophobicContact CB-CE2 3.72Å; F770-L795 HydrophobicContact CE1-CD2 4.04Å; F770-L795 HydrophobicContact CZ-CD2 3.58Å; F770-L798 HydrophobicContact CD1-CB 4.27Å; F770-L798 HydrophobicContact CD2-CD1 4.33Å; F770-L798 HydrophobicContact CE1-CB 4.09Å; F770-L798 HydrophobicContact CE1-CD1 4.49Å; F770-L798 HydrophobicContact CE2-CD1 3.81Å; F770-L798 HydrophobicContact CZ-CB 4.35Å; F770-L798 HydrophobicContact CZ-CD1 3.93Å; F770-M799 HydrophobicContact CD1-CG 4.06Å; F770-M799 HydrophobicContact CE1-CG 3.71Å; F770-M799 HydrophobicContact CE1-SD 4.1Å |
| 771 | S | 70.8 | Confident | 83.9 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 157 | 162 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | G773 N776 | S771-G773 PolarHBondContact O-N 3.48Å; S771-N776 PolarHBondContact O-ND2 2.76Å; S771-N776 PolarHBondContact O-OD1 2.67Å |
| 772 | G | 73.5 | Confident | 83.8 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -25.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | G774 T775 G818 | G772-G774 PolarHBondContact O-N 3.33Å; G772-T775 WeakPolarHBondContact CA-OG1 3.41Å; G772-T775 PolarHBondContact O-N 3.17Å; G772-T775 VanDerWaalsContact O-N 3.16Å; G772-T775 PolarHBondContact O-OG1 3.17Å; G772-G818 WeakPolarHBondContact CA-O 3.32Å; G772-G818 PolarHBondContact N-O 3.1Å |
| 773 | G | 71.4 | Confident | 83.7 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 52.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S767 S771 | S767-G773 WeakPolarHBondContact O-CA 3.26Å; S771-G773 PolarHBondContact O-N 3.48Å |
| 774 | G | 76.4 | Confident | 83.6 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 0.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A765 G772 N776 | A765-G774 WeakPolarHBondContact O-CA 3.46Å; A765-G774 PolarHBondContact O-N 2.9Å; A765-G774 VanDerWaalsContact O-N 3.07Å; G772-G774 PolarHBondContact O-N 3.33Å; G774-N776 VanDerWaalsContact C-N 3.32Å; G774-N776 PolarHBondContact N-OD1 2.85Å |
| 775 | T | 79.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 38.6 Ų | 38.6 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -82.4 | -12.7 | 166.5 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | G772 S817 G818 | G772-T775 WeakPolarHBondContact CA-OG1 3.41Å; G772-T775 PolarHBondContact O-N 3.17Å; G772-T775 VanDerWaalsContact O-N 3.16Å; G772-T775 PolarHBondContact O-OG1 3.17Å; T775-S817 CarbonylContact C-O 3.57Å; T775-S817 VanDerWaalsContact O-O 3.07Å; T775-G818 WeakPolarHBondContact OG1-CA 3.35Å |
| 776 | N | 83.6 | Confident | 83.4 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -115 | 27.8 | -175.2 | 64.1 | -37.3 | 0 | 0 | 0 | 113.8 | S771 G774 E778 L779 S817 | S771-N776 PolarHBondContact O-ND2 2.76Å; S771-N776 PolarHBondContact O-OD1 2.67Å; G774-N776 VanDerWaalsContact C-N 3.32Å; G774-N776 PolarHBondContact N-OD1 2.85Å; N776-E778 PolarHBondContact O-N 2.91Å; N776-L779 HydrophobicContact CB-CB 4.46Å; N776-L779 WeakPolarHBondContact O-CB 3.32Å; N776-L779 PolarHBondContact O-N 3.23Å; N776-S817 WeakPolarHBondContact CA-O 3.38Å; N776-S817 WeakPolarHBondContact CB-O 3.46Å; N776-S817 PolarHBondContact N-O 2.95Å | ||
| 777 | Q | 87.9 | Confident | 83.3 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.7 | -33 | -179.8 | -71.5 | 175.3 | 1.9 | 0 | 0 | 113.5 | M762 C766 L779 A780 L781 | M762-Q777 HydrophobicContact CE-CB 3.85Å; M762-Q777 HydrophobicContact CE-CG 4.03Å; C766-Q777 PolarHBondContact SG-NE2 3.41Å; Q777-L779 VanDerWaalsContact C-N 3.3Å; Q777-L779 PolarHBondContact O-N 3.44Å; Q777-A780 PolarHBondContact O-N 3Å; Q777-L781 PolarHBondContact O-N 3.46Å; Q777-L781 VanDerWaalsContact O-N 3.12Å |
| 778 | E | 87.7 | Confident | 83 | Confident | 114 Ų | 114 | 40.6 Ų | 40.6 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 176.9 | -61.5 | 175.8 | 166.5 | 0 | 0 | 112.8 | N776 H782 Y816 | N776-E778 PolarHBondContact O-N 2.91Å; E778-H782 VanDerWaalsContact O-CB 3.3Å; E778-H782 WeakPolarHBondContact O-CB 3.26Å; E778-H782 PolarHBondContact O-N 3.47Å; E778-Y816 HydrophobicContact CB-CD1 4.33Å |
| 779 | L | 87.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 176.5 | 177.2 | 58.2 | 0 | 0 | 0 | 111.2 | N776 Q777 L781 H782 C783 L798 I804 F805 Y816 | N776-L779 HydrophobicContact CB-CB 4.46Å; N776-L779 WeakPolarHBondContact O-CB 3.32Å; N776-L779 PolarHBondContact O-N 3.23Å; Q777-L779 VanDerWaalsContact C-N 3.3Å; Q777-L779 PolarHBondContact O-N 3.44Å; L779-L781 PolarHBondContact O-N 3.3Å; L779-H782 PolarHBondContact O-N 3.23Å; L779-C783 PolarHBondContact O-N 2.97Å; L779-C783 PolarHBondContact O-SG 3.36Å; L779-C783 VanDerWaalsContact O-SG 3.33Å; L779-L798 HydrophobicContact CG-CD2 4.18Å; L779-I804 HydrophobicContact CD1-CG2 4.46Å; L779-I804 HydrophobicContact CD2-CD1 3.93Å; L779-F805 HydrophobicContact CD1-CE2 3.61Å; L779-F805 HydrophobicContact CD1-CZ 3.62Å; L779-Y816 HydrophobicContact CB-CD1 3.82Å; L779-Y816 HydrophobicContact CB-CD2 4.47Å; L779-Y816 HydrophobicContact CB-CE1 4.39Å; L779-Y816 HydrophobicContact CB-CG 3.89Å; L779-Y816 HydrophobicContact CD1-CD1 4.38Å; L779-Y816 HydrophobicContact CD1-CD2 3.85Å; L779-Y816 HydrophobicContact CD1-CE1 4.41Å; L779-Y816 HydrophobicContact CD1-CE2 3.88Å; L779-Y816 HydrophobicContact CD1-CG 4.13Å; L779-Y816 HydrophobicContact CG-CG 4.42Å |
| 780 | A | 89.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | F761 A765 Q777 L784 L798 | F761-A780 HydrophobicContact CE1-CB 4.03Å; F761-A780 HydrophobicContact CZ-CB 3.94Å; A765-A780 HydrophobicContact CB-CB 3.78Å; Q777-A780 PolarHBondContact O-N 3Å; A780-L784 WeakPolarHBondContact O-CB 3.42Å; A780-L784 PolarHBondContact O-N 2.95Å; A780-L798 HydrophobicContact CB-CD1 4.15Å |
| 781 | L | 88 | Confident | 83.4 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 28% | 0.283 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 174.1 | -70.8 | 168.8 | 0 | 0 | 0 | 112.5 | W742 M762 Q777 L779 L784 H785 | W742-L781 HydrophobicContact CE3-CB 4.15Å; W742-L781 HydrophobicContact CH2-CD2 4.01Å; W742-L781 HydrophobicContact CZ3-CB 4.12Å; W742-L781 HydrophobicContact CZ3-CD2 3.89Å; W742-L781 WeakPolarHBondContact CZ3-O 3.41Å; M762-L781 HydrophobicContact CE-CD1 4.1Å; M762-L781 HydrophobicContact CE-CD2 4.26Å; M762-L781 HydrophobicContact CE-CG 3.97Å; M762-L781 HydrophobicContact SD-CD2 3.63Å; M762-L781 HydrophobicContact SD-CG 3.88Å; Q777-L781 PolarHBondContact O-N 3.46Å; Q777-L781 VanDerWaalsContact O-N 3.12Å; L779-L781 PolarHBondContact O-N 3.3Å; L781-L784 WeakPolarHBondContact O-CB 3.36Å; L781-L784 PolarHBondContact O-N 3.34Å; L781-H785 PolarHBondContact O-N 2.9Å |
| 782 | H | 87.8 | Confident | 84.2 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 177.3 | 179.4 | -135 | 0 | 0 | 0 | 112.1 | E778 L779 L784 H785 E786 F805 H809 Y816 | E778-H782 VanDerWaalsContact O-CB 3.3Å; E778-H782 WeakPolarHBondContact O-CB 3.26Å; E778-H782 PolarHBondContact O-N 3.47Å; L779-H782 PolarHBondContact O-N 3.23Å; H782-L784 VanDerWaalsContact C-N 3.28Å; H782-L784 PolarHBondContact O-N 2.95Å; H782-H785 PolarHBondContact O-N 3.38Å; H782-E786 PolarHBondContact O-N 3.48Å; H782-F805 AromaticContact CE1-CE1 3.67Å; H782-F805 AromaticContact CE1-CZ 3.7Å; H782-F805 AromaticContact ND1-CE1 3.64Å; H782-F805 AromaticContact ND1-CZ 3.29Å; H782-F805 VanDerWaalsContact ND1-CZ 3.29Å; H782-F805 WeakPolarHBondContact ND1-CZ 3.32Å; H782-H809 AromaticContact CE1-CE1 3.68Å; H782-Y816 PolarHBondContact CE1-OH 3.43Å; H782-Y816 VanDerWaalsContact CE1-OH 3.28Å; H782-Y816 AromaticContact ND1-CZ 3.73Å; H782-Y816 PolarHBondContact ND1-OH 2.96Å |
| 783 | C | 87.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | L779 E786 C787 T794 L798 | L779-C783 PolarHBondContact O-N 2.97Å; L779-C783 PolarHBondContact O-SG 3.36Å; L779-C783 VanDerWaalsContact O-SG 3.33Å; C783-E786 PolarHBondContact O-N 3.4Å; C783-C787 WeakPolarHBondContact O-CB 3.48Å; C783-C787 PolarHBondContact O-N 2.6Å; C783-C787 PolarHBondContact O-SG 3.11Å; C783-T794 HydrophobicContact CB-CG2 3.85Å; C783-L798 HydrophobicContact CB-CD2 4.18Å; C783-L798 HydrophobicContact CB-CG 4.25Å |
| 784 | L | 88.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 175.7 | -176.4 | 64.2 | 0 | 0 | 0 | 112 | W742 F761 A780 L781 H782 C787 G788 D789 I791 T794 | W742-L784 HydrophobicContact CH2-CD2 4.26Å; W742-L784 HydrophobicContact CZ3-CB 4.5Å; W742-L784 HydrophobicContact CZ3-CD2 4.32Å; F761-L784 HydrophobicContact CD1-CD2 4.26Å; F761-L784 HydrophobicContact CE1-CB 4.3Å; F761-L784 HydrophobicContact CE1-CD2 4.13Å; A780-L784 WeakPolarHBondContact O-CB 3.42Å; A780-L784 PolarHBondContact O-N 2.95Å; L781-L784 WeakPolarHBondContact O-CB 3.36Å; L781-L784 PolarHBondContact O-N 3.34Å; H782-L784 VanDerWaalsContact C-N 3.28Å; H782-L784 PolarHBondContact O-N 2.95Å; L784-C787 CarbonylContact O-C 3.57Å; L784-C787 PolarHBondContact O-N 2.96Å; L784-G788 PolarHBondContact O-N 3.27Å; L784-D789 WeakPolarHBondContact O-CA 3.45Å; L784-D789 PolarHBondContact O-N 3.05Å; L784-I791 HydrophobicContact CD1-CG1 3.72Å; L784-T794 WeakPolarHBondContact CA-OG1 3.47Å; L784-T794 HydrophobicContact CB-CG2 4.1Å; L784-T794 HydrophobicContact CD1-CG2 4.48Å |
| 785 | H | 87.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 45 Ų | 45 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 173.9 | 172.6 | -107.1 | 0 | 0 | 0 | 112.3 | L740 V741 W742 H743 L781 H782 C787 G788 | L740-H785 PolarHBondContact O-CE1 3.04Å; V741-H785 PolarHBondContact O-ND1 3.3Å; W742-H785 HydrophobicContact CE3-CB 3.89Å; W742-H785 HydrophobicContact CZ3-CB 4.29Å; H743-H785 PolarHBondContact N-CD2 2.89Å; H743-H785 VanDerWaalsContact N-CD2 3.29Å; H743-H785 PolarHBondContact N-NE2 2.95Å; L781-H785 PolarHBondContact O-N 2.9Å; H782-H785 PolarHBondContact O-N 3.38Å; H785-C787 VanDerWaalsContact C-N 3.31Å; H785-C787 PolarHBondContact O-N 3.08Å; H785-G788 PolarHBondContact O-N 3.3Å; H785-G788 VanDerWaalsContact O-N 3.12Å |
| 786 | E | 86.5 | Confident | 86.7 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 177.9 | -152.9 | -159.3 | 141.3 | 0 | 0 | 112.2 | H782 C783 G788 R797 F805 H809 | H782-E786 PolarHBondContact O-N 3.48Å; C783-E786 PolarHBondContact O-N 3.4Å; E786-G788 PolarHBondContact O-N 2.85Å; E786-R797 IonicContact OE1-CZ 3.57Å; E786-R797 IonicContact OE1-NH1 2.7Å; E786-R797 PolarHBondContact OE1-NH1 3.29Å; E786-R797 IonicContact OE1-NH2 3.6Å; E786-R797 IonicContact OE2-CZ 3.91Å; E786-R797 IonicContact OE2-NH1 2.87Å; E786-R797 PolarHBondContact OE2-NH1 2.92Å; E786-F805 WeakPolarHBondContact OE2-CD1 3.48Å; E786-F805 VanDerWaalsContact OE2-CE1 3.29Å; E786-F805 WeakPolarHBondContact OE2-CE1 3.45Å; E786-H809 IonicContact OE1-NE2 3.81Å; E786-H809 IonicContact OE2-CE1 3.7Å; E786-H809 IonicContact OE2-NE2 3.72Å |
| 787 | C | 85.6 | Confident | 86.8 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 14.7 | 174.1 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | C783 L784 H785 D789 N790 E793 T794 | C783-C787 WeakPolarHBondContact O-CB 3.48Å; C783-C787 PolarHBondContact O-N 2.6Å; C783-C787 PolarHBondContact O-SG 3.11Å; L784-C787 CarbonylContact O-C 3.57Å; L784-C787 PolarHBondContact O-N 2.96Å; H785-C787 VanDerWaalsContact C-N 3.31Å; H785-C787 PolarHBondContact O-N 3.08Å; C787-D789 PolarHBondContact O-N 3.07Å; C787-N790 WeakPolarHBondContact O-CB 3.17Å; C787-N790 PolarHBondContact O-N 3.19Å; C787-E793 HydrophobicContact CB-CB 4.44Å; C787-E793 HydrophobicContact CB-CG 4.27Å; C787-T794 WeakPolarHBondContact CB-OG1 3.11Å |
| 788 | G | 79.5 | Confident | 86.7 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 61% | 0.608 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L784 H785 E786 N790 | L784-G788 PolarHBondContact O-N 3.27Å; H785-G788 PolarHBondContact O-N 3.3Å; H785-G788 VanDerWaalsContact O-N 3.12Å; E786-G788 PolarHBondContact O-N 2.85Å; G788-N790 PolarHBondContact O-N 3.37Å |
| 789 | D | 80.7 | Confident | 86.5 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 9.6 | -176.1 | -55.5 | -64.5 | 0 | 0 | 0 | 115.2 | L745 L784 C787 I791 | L745-D789 WeakPolarHBondContact CD2-OD2 3.47Å; L784-D789 WeakPolarHBondContact O-CA 3.45Å; L784-D789 PolarHBondContact O-N 3.05Å; C787-D789 PolarHBondContact O-N 3.07Å; D789-I791 PolarHBondContact O-N 3.21Å |
| 790 | N | 85.7 | Confident | 86.2 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | trans | -75.7 | 93.7 | 174.1 | -174.4 | 1.9 | 0 | 0 | 0 | 111.6 | C787 G788 L792 E793 T794 | C787-N790 WeakPolarHBondContact O-CB 3.17Å; C787-N790 PolarHBondContact O-N 3.19Å; G788-N790 PolarHBondContact O-N 3.37Å; N790-L792 VanDerWaalsContact C-N 3.28Å; N790-L792 PolarHBondContact O-N 3.08Å; N790-L792 PolarHBondContact OD1-N 3.43Å; N790-E793 HydrophobicContact CB-CB 4.08Å; N790-E793 VanDerWaalsContact ND2-CB 3.26Å; N790-E793 WeakPolarHBondContact ND2-CB 3.29Å; N790-E793 PolarHBondContact ND2-OE2 3.01Å; N790-E793 PolarHBondContact O-N 2.65Å; N790-T794 WeakPolarHBondContact O-CB 3.48Å; N790-T794 PolarHBondContact O-N 3.46Å; N790-T794 PolarHBondContact O-OG1 2.78Å | ||
| 791 | I | 87.5 | Confident | 85.7 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.169 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.1 | -36.5 | -178.1 | -64.5 | 173.6 | 0 | 0 | 0 | 112.6 | T757 I758 F761 L784 D789 T794 L795 | T757-I791 HydrophobicContact CG2-CD1 3.64Å; I758-I791 HydrophobicContact CG1-CD1 4.34Å; F761-I791 HydrophobicContact CB-CD1 4.47Å; F761-I791 HydrophobicContact CB-CG2 4.28Å; F761-I791 HydrophobicContact CD2-CG2 3.8Å; F761-I791 HydrophobicContact CE2-CG2 4.5Å; F761-I791 HydrophobicContact CG-CG2 4.24Å; L784-I791 HydrophobicContact CD1-CG1 3.72Å; D789-I791 PolarHBondContact O-N 3.21Å; I791-T794 WeakPolarHBondContact O-CB 3.38Å; I791-T794 PolarHBondContact O-N 2.74Å; I791-L795 HydrophobicContact CG2-CD1 4.16Å; I791-L795 HydrophobicContact CG2-CG 4.41Å; I791-L795 VanDerWaalsContact O-CG 3.24Å; I791-L795 WeakPolarHBondContact O-CG 3.35Å; I791-L795 PolarHBondContact O-N 3.42Å |
| 792 | L | 87.9 | Confident | 84.9 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 71% | 0.712 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.1 | -43.9 | -177.9 | -68.9 | 176.1 | 0 | 0 | 0 | 112.3 | N790 T794 L795 E796 | N790-L792 VanDerWaalsContact C-N 3.28Å; N790-L792 PolarHBondContact O-N 3.08Å; N790-L792 PolarHBondContact OD1-N 3.43Å; L792-T794 VanDerWaalsContact C-N 3.31Å; L792-L795 PolarHBondContact O-N 3.01Å; L792-E796 PolarHBondContact O-N 3.27Å |
| 793 | E | 87.3 | Confident | 84.1 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 175.3 | -176.9 | 175.5 | 177.5 | 0 | 0 | 111.5 | C787 N790 E796 R797 | C787-E793 HydrophobicContact CB-CB 4.44Å; C787-E793 HydrophobicContact CB-CG 4.27Å; N790-E793 HydrophobicContact CB-CB 4.08Å; N790-E793 VanDerWaalsContact ND2-CB 3.26Å; N790-E793 WeakPolarHBondContact ND2-CB 3.29Å; N790-E793 PolarHBondContact ND2-OE2 3.01Å; N790-E793 PolarHBondContact O-N 2.65Å; E793-E796 PolarHBondContact O-N 3.47Å; E793-R797 WeakPolarHBondContact O-CB 3.48Å; E793-R797 PolarHBondContact O-N 2.99Å |
| 794 | T | 89 | Confident | 83.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 170.8 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | F761 C783 L784 C787 N790 I791 L792 R797 L798 | F761-T794 HydrophobicContact CE2-CG2 3.92Å; F761-T794 HydrophobicContact CZ-CG2 3.55Å; C783-T794 HydrophobicContact CB-CG2 3.85Å; L784-T794 WeakPolarHBondContact CA-OG1 3.47Å; L784-T794 HydrophobicContact CB-CG2 4.1Å; L784-T794 HydrophobicContact CD1-CG2 4.48Å; C787-T794 WeakPolarHBondContact CB-OG1 3.11Å; N790-T794 WeakPolarHBondContact O-CB 3.48Å; N790-T794 PolarHBondContact O-N 3.46Å; N790-T794 PolarHBondContact O-OG1 2.78Å; I791-T794 WeakPolarHBondContact O-CB 3.38Å; I791-T794 PolarHBondContact O-N 2.74Å; L792-T794 VanDerWaalsContact C-N 3.31Å; T794-R797 PolarHBondContact O-N 3.34Å; T794-L798 HydrophobicContact CG2-CD1 3.86Å; T794-L798 HydrophobicContact CG2-CG 4.46Å; T794-L798 WeakPolarHBondContact O-CB 3.16Å; T794-L798 VanDerWaalsContact O-CG 3.25Å; T794-L798 WeakPolarHBondContact O-CG 3.5Å; T794-L798 PolarHBondContact O-N 3.46Å |
| 795 | L | 88.3 | Confident | 83.2 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.8 | -71.1 | 172.9 | 0 | 0 | 0 | 112 | F761 L764 F770 I791 L792 R797 L798 M799 | F761-L795 HydrophobicContact CD2-CD2 4.04Å; F761-L795 HydrophobicContact CD2-CG 4.41Å; F761-L795 HydrophobicContact CE2-CD2 3.87Å; F761-L795 HydrophobicContact CE2-CG 4.29Å; L764-L795 HydrophobicContact CD2-CD1 4.36Å; L764-L795 HydrophobicContact CD2-CD2 3.66Å; F770-L795 HydrophobicContact CE1-CD2 4.04Å; F770-L795 HydrophobicContact CZ-CD2 3.58Å; I791-L795 HydrophobicContact CG2-CD1 4.16Å; I791-L795 HydrophobicContact CG2-CG 4.41Å; I791-L795 VanDerWaalsContact O-CG 3.24Å; I791-L795 WeakPolarHBondContact O-CG 3.35Å; I791-L795 PolarHBondContact O-N 3.42Å; L792-L795 PolarHBondContact O-N 3.01Å; L795-R797 VanDerWaalsContact C-N 3.35Å; L795-R797 PolarHBondContact O-N 3.04Å; L795-L798 PolarHBondContact O-N 3.4Å; L795-M799 VanDerWaalsContact O-CB 3.28Å; L795-M799 WeakPolarHBondContact O-CB 3.49Å; L795-M799 WeakPolarHBondContact O-CG 3.47Å; L795-M799 PolarHBondContact O-N 3Å |
| 796 | E | 88.1 | Confident | 82.7 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 51% | 0.514 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 175.4 | -163.2 | -173.8 | 144.4 | 0 | 0 | 110.9 | L792 E793 M799 L800 | L792-E796 PolarHBondContact O-N 3.27Å; E793-E796 PolarHBondContact O-N 3.47Å; E796-M799 PolarHBondContact O-N 2.93Å; E796-L800 HydrophobicContact CG-CD1 3.87Å; E796-L800 WeakPolarHBondContact O-CB 3.28Å; E796-L800 PolarHBondContact O-N 3.23Å |
| 797 | R | 85.1 | Confident | 81.7 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 14% | 0.143 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.1 | -171.1 | -179.4 | -69.1 | -146.2 | 6.9 | 112.8 | E786 E793 T794 L795 M799 Q801 I804 | E786-R797 IonicContact OE1-CZ 3.57Å; E786-R797 IonicContact OE1-NH1 2.7Å; E786-R797 PolarHBondContact OE1-NH1 3.29Å; E786-R797 IonicContact OE1-NH2 3.6Å; E786-R797 IonicContact OE2-CZ 3.91Å; E786-R797 IonicContact OE2-NH1 2.87Å; E786-R797 PolarHBondContact OE2-NH1 2.92Å; E793-R797 WeakPolarHBondContact O-CB 3.48Å; E793-R797 PolarHBondContact O-N 2.99Å; T794-R797 PolarHBondContact O-N 3.34Å; L795-R797 VanDerWaalsContact C-N 3.35Å; L795-R797 PolarHBondContact O-N 3.04Å; R797-M799 VanDerWaalsContact C-N 3.33Å; R797-M799 PolarHBondContact O-N 2.87Å; R797-Q801 HydrophobicContact CG-CB 4.44Å; R797-Q801 WeakPolarHBondContact O-CB 3.41Å; R797-Q801 PolarHBondContact O-N 3.01Å; R797-I804 WeakPolarHBondContact CD-O 3.47Å; R797-I804 HydrophobicContact CG-CG2 4.17Å |
| 798 | L | 86 | Confident | 80.8 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.9 | -21.6 | -179.2 | -73 | 171.5 | 0 | 0 | 0 | 114.3 | F761 F770 L779 A780 C783 T794 L795 | F761-L798 HydrophobicContact CE2-CD1 4.24Å; F761-L798 HydrophobicContact CZ-CD1 4.01Å; F770-L798 HydrophobicContact CD1-CB 4.27Å; F770-L798 HydrophobicContact CD2-CD1 4.33Å; F770-L798 HydrophobicContact CE1-CB 4.09Å; F770-L798 HydrophobicContact CE1-CD1 4.49Å; F770-L798 HydrophobicContact CE2-CD1 3.81Å; F770-L798 HydrophobicContact CZ-CB 4.35Å; F770-L798 HydrophobicContact CZ-CD1 3.93Å; L779-L798 HydrophobicContact CG-CD2 4.18Å; A780-L798 HydrophobicContact CB-CD1 4.15Å; C783-L798 HydrophobicContact CB-CD2 4.18Å; C783-L798 HydrophobicContact CB-CG 4.25Å; T794-L798 HydrophobicContact CG2-CD1 3.86Å; T794-L798 HydrophobicContact CG2-CG 4.46Å; T794-L798 WeakPolarHBondContact O-CB 3.16Å; T794-L798 VanDerWaalsContact O-CG 3.25Å; T794-L798 WeakPolarHBondContact O-CG 3.5Å; T794-L798 PolarHBondContact O-N 3.46Å; L795-L798 PolarHBondContact O-N 3.4Å |
| 799 | M | 84.7 | Confident | 80.7 | Confident | 108 Ų | 108 | 77 Ų | 77 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -110.6 | -22.9 | -174.9 | -65 | -175.4 | 62 | 0 | 0 | 114.8 | V769 F770 L795 E796 R797 | V769-M799 HydrophobicContact CG1-CE 3.54Å; V769-M799 HydrophobicContact CG1-CG 4.39Å; V769-M799 HydrophobicContact CG1-SD 3.7Å; F770-M799 HydrophobicContact CD1-CG 4.06Å; F770-M799 HydrophobicContact CE1-CG 3.71Å; F770-M799 HydrophobicContact CE1-SD 4.1Å; L795-M799 VanDerWaalsContact O-CB 3.28Å; L795-M799 WeakPolarHBondContact O-CB 3.49Å; L795-M799 WeakPolarHBondContact O-CG 3.47Å; L795-M799 PolarHBondContact O-N 3Å; E796-M799 PolarHBondContact O-N 2.93Å; R797-M799 VanDerWaalsContact C-N 3.33Å; R797-M799 PolarHBondContact O-N 2.87Å |
| 800 | L | 81.4 | Confident | 80.6 | Confident | 134 Ų | 134 | 78.8 Ų | 78.8 | 70% | 0.702 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -121.3 | -11.4 | -172.7 | -53.8 | -178.6 | 0 | 0 | 0 | 114.7 | E796 | E796-L800 HydrophobicContact CG-CD1 3.87Å; E796-L800 WeakPolarHBondContact O-CB 3.28Å; E796-L800 PolarHBondContact O-N 3.23Å |
| 801 | Q | 77.1 | Confident | 80.2 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | trans | -109.3 | 103.6 | -174 | -59.1 | -174.4 | 21.9 | 0 | 0 | 112.3 | R797 P803 I804 | R797-Q801 HydrophobicContact CG-CB 4.44Å; R797-Q801 WeakPolarHBondContact O-CB 3.41Å; R797-Q801 PolarHBondContact O-N 3.01Å; Q801-P803 CarbonylContact O-C 3.3Å; Q801-I804 VanDerWaalsContact O-CA 3.31Å; Q801-I804 WeakPolarHBondContact O-CA 3.41Å; Q801-I804 WeakPolarHBondContact O-CG1 3.39Å; Q801-I804 PolarHBondContact O-N 3.39Å | ||
| 802 | D | 72.3 | Confident | 79.5 | Confident | 165 Ų | 165 | 77.8 Ų | 77.8 | 88% | 0.882 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -107.5 | 112 | 166 | -87.8 | -45.2 | 0 | 0 | 0 | 109.6 | ||
| 803 | P | 71.3 | Confident | 78.9 | Confident | 86 Ų | 86 | 75.1 Ų | 75.1 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | S | Bend | cis | -80.2 | 149.6 | -2 | 34 | -35.4 | 0 | 0 | 0 | 113.5 | Q801 F805 | Q801-P803 CarbonylContact O-C 3.3Å; P803-F805 PolarHBondContact O-N 2.9Å |
| 804 | I | 76.3 | Confident | 78.8 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -59.1 | -30.2 | -179 | -61.5 | 171.8 | 0 | 0 | 0 | 112.9 | L779 R797 Q801 | L779-I804 HydrophobicContact CD1-CG2 4.46Å; L779-I804 HydrophobicContact CD2-CD1 3.93Å; R797-I804 WeakPolarHBondContact CD-O 3.47Å; R797-I804 HydrophobicContact CG-CG2 4.17Å; Q801-I804 VanDerWaalsContact O-CA 3.31Å; Q801-I804 WeakPolarHBondContact O-CA 3.41Å; Q801-I804 WeakPolarHBondContact O-CG1 3.39Å; Q801-I804 PolarHBondContact O-N 3.39Å |
| 805 | F | 79.6 | Confident | 78.6 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 10% | 0.096 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -115.5 | 137.6 | 175.9 | -58.7 | -70.3 | 0 | 0 | 0 | 111.1 | L779 H782 E786 P803 H809 Y816 | L779-F805 HydrophobicContact CD1-CE2 3.61Å; L779-F805 HydrophobicContact CD1-CZ 3.62Å; H782-F805 AromaticContact CE1-CE1 3.67Å; H782-F805 AromaticContact CE1-CZ 3.7Å; H782-F805 AromaticContact ND1-CE1 3.64Å; H782-F805 AromaticContact ND1-CZ 3.29Å; H782-F805 VanDerWaalsContact ND1-CZ 3.29Å; H782-F805 WeakPolarHBondContact ND1-CZ 3.32Å; E786-F805 WeakPolarHBondContact OE2-CD1 3.48Å; E786-F805 VanDerWaalsContact OE2-CE1 3.29Å; E786-F805 WeakPolarHBondContact OE2-CE1 3.45Å; P803-F805 PolarHBondContact O-N 2.9Å; F805-H809 HydrophobicContact CB-CB 3.9Å; F805-H809 AromaticContact CD1-CE1 3.65Å; F805-H809 AromaticContact CD1-ND1 3.3Å; F805-H809 VanDerWaalsContact CD1-ND1 3.3Å; F805-H809 WeakPolarHBondContact CD1-ND1 3.48Å; F805-H809 AromaticContact CE1-CE1 3.9Å; F805-H809 AromaticContact CE1-ND1 3.92Å; F805-H809 AromaticContact CG-ND1 3.73Å; F805-Y816 AromaticContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CZ-CE2 4.35Å |
| 806 | P | 76.9 | Confident | 78.5 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | trans | -66.6 | 155.1 | 178 | 27.7 | -34.8 | 0 | 0 | 0 | 112.2 | G808 H809 | P806-G808 VanDerWaalsContact C-N 3.27Å; P806-G808 PolarHBondContact O-N 2.98Å; P806-H809 HydrophobicContact CG-CB 4.45Å; P806-H809 PolarHBondContact O-N 3.2Å | ||
| 807 | K | 64.6 | Low | 78.4 | Confident | 209 Ų | 209 | 77.1 Ų | 77.1 | 91% | 0.909 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 79.9 | 179.1 | -65.7 | 177.2 | -177.9 | 172.3 | 0 | 111.2 | ||
| 808 | G | 66.9 | Low | 78.2 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 76% | 0.763 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.4 | -11.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P806 | P806-G808 VanDerWaalsContact C-N 3.27Å; P806-G808 PolarHBondContact O-N 2.98Å |
| 809 | H | 79 | Confident | 78 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | trans | -63.1 | 135 | 173.7 | -160.2 | -123.5 | 0 | 0 | 0 | 110.9 | H782 E786 F805 P806 L811 A812 | H782-H809 AromaticContact CE1-CE1 3.68Å; E786-H809 IonicContact OE1-NE2 3.81Å; E786-H809 IonicContact OE2-CE1 3.7Å; E786-H809 IonicContact OE2-NE2 3.72Å; F805-H809 HydrophobicContact CB-CB 3.9Å; F805-H809 AromaticContact CD1-CE1 3.65Å; F805-H809 AromaticContact CD1-ND1 3.3Å; F805-H809 VanDerWaalsContact CD1-ND1 3.3Å; F805-H809 WeakPolarHBondContact CD1-ND1 3.48Å; F805-H809 AromaticContact CE1-CE1 3.9Å; F805-H809 AromaticContact CE1-ND1 3.92Å; F805-H809 AromaticContact CG-ND1 3.73Å; P806-H809 HydrophobicContact CG-CB 4.45Å; P806-H809 PolarHBondContact O-N 3.2Å; H809-L811 PolarHBondContact O-N 3.43Å; H809-L811 VanDerWaalsContact O-N 3.08Å; H809-A812 HydrophobicContact CB-CB 4.13Å; H809-A812 VanDerWaalsContact O-CB 3.22Å; H809-A812 WeakPolarHBondContact O-CB 3.49Å; H809-A812 PolarHBondContact O-N 3.3Å | ||
| 810 | H | 76.8 | Confident | 78 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.458 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31.8 | -179.5 | 61.3 | 157.9 | 0 | 0 | 0 | 114.1 | D739 | D739-H810 WeakPolarHBondContact CB-ND1 3.36Å; D739-H810 VanDerWaalsContact CG-ND1 3.26Å; D739-H810 IonicContact OD1-CE1 3.65Å; D739-H810 IonicContact OD1-CG 3.68Å; D739-H810 IonicContact OD1-ND1 2.73Å; D739-H810 PolarHBondContact OD1-ND1 2.95Å |
| 811 | L | 77.4 | Confident | 78.1 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 12% | 0.12 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 16.3 | 178.6 | -65 | 170.1 | 0 | 0 | 0 | 113.8 | D739 V741 H809 G813 Y814 | D739-L811 HydrophobicContact CB-CD1 4.46Å; V741-L811 HydrophobicContact CG1-CD1 3.31Å; H809-L811 PolarHBondContact O-N 3.43Å; H809-L811 VanDerWaalsContact O-N 3.08Å; L811-G813 PolarHBondContact O-N 3.34Å; L811-G813 VanDerWaalsContact O-N 3.1Å; L811-Y814 HydrophobicContact CD2-CD2 4.39Å; L811-Y814 HydrophobicContact CD2-CG 4.47Å; L811-Y814 WeakPolarHBondContact O-CB 3.22Å; L811-Y814 PolarHBondContact O-N 3.3Å |
| 812 | A | 74.6 | Confident | 78.6 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H809 | H809-A812 HydrophobicContact CB-CB 4.13Å; H809-A812 VanDerWaalsContact O-CB 3.22Å; H809-A812 WeakPolarHBondContact O-CB 3.49Å; H809-A812 PolarHBondContact O-N 3.3Å |
| 813 | G | 75.2 | Confident | 79.5 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 4.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | L811 | L811-G813 PolarHBondContact O-N 3.34Å; L811-G813 VanDerWaalsContact O-N 3.1Å |
| 814 | Y | 84.1 | Confident | 80.3 | Confident | 123 Ų | 123 | 63.8 Ų | 63.8 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | trans | -83.7 | 134.4 | 179.4 | -174.4 | -88 | 0 | 0 | 0 | 111.2 | L811 Y816 | L811-Y814 HydrophobicContact CD2-CD2 4.39Å; L811-Y814 HydrophobicContact CD2-CG 4.47Å; L811-Y814 WeakPolarHBondContact O-CB 3.22Å; L811-Y814 PolarHBondContact O-N 3.3Å; Y814-Y816 AromaticContact CD1-CD1 3.94Å; Y814-Y816 HydrophobicContact CD1-CD1 3.94Å; Y814-Y816 AromaticContact CD1-CD2 3.82Å; Y814-Y816 HydrophobicContact CD1-CD2 3.82Å; Y814-Y816 AromaticContact CD1-CE1 3.71Å; Y814-Y816 HydrophobicContact CD1-CE1 3.71Å; Y814-Y816 AromaticContact CD1-CE2 3.56Å; Y814-Y816 HydrophobicContact CD1-CE2 3.56Å; Y814-Y816 AromaticContact CD1-CG 3.97Å; Y814-Y816 HydrophobicContact CD1-CG 3.97Å; Y814-Y816 AromaticContact CD1-CZ 3.47Å; Y814-Y816 VanDerWaalsContact CD1-CZ 3.47Å; Y814-Y816 AromaticContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD2 4.4Å; Y814-Y816 AromaticContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE2 4.36Å; Y814-Y816 HydrophobicContact CE1-CG 4.09Å; Y814-Y816 AromaticContact CE1-CZ 3.99Å; Y814-Y816 HydrophobicContact CG-CE2 4.43Å | ||
| 815 | H | 85.3 | Confident | 81 | Confident | 82 Ų | 82 | 68.7 Ų | 68.7 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | trans | -95.6 | 110.1 | 178.6 | 180 | 81.7 | 0 | 0 | 0 | 110.6 | D820 E858 | H815-D820 IonicContact CE1-OD1 2.67Å; H815-E858 IonicContact CD2-OE2 3.84Å; H815-E858 IonicContact CE1-OE2 2.77Å; H815-E858 IonicContact NE2-OE2 3.52Å; H815-E858 PolarHBondContact NE2-OE2 3.17Å | ||
| 816 | Y | 86.8 | Confident | 81.7 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | trans | -80.5 | 131.9 | 174.4 | -66.6 | -86 | 0 | 0 | 0 | 110.1 | E778 L779 H782 F805 Y814 G818 S819 | E778-Y816 HydrophobicContact CB-CD1 4.33Å; L779-Y816 HydrophobicContact CB-CD1 3.82Å; L779-Y816 HydrophobicContact CB-CD2 4.47Å; L779-Y816 HydrophobicContact CB-CE1 4.39Å; L779-Y816 HydrophobicContact CB-CG 3.89Å; L779-Y816 HydrophobicContact CD1-CD1 4.38Å; L779-Y816 HydrophobicContact CD1-CD2 3.85Å; L779-Y816 HydrophobicContact CD1-CE1 4.41Å; L779-Y816 HydrophobicContact CD1-CE2 3.88Å; L779-Y816 HydrophobicContact CD1-CG 4.13Å; L779-Y816 HydrophobicContact CG-CG 4.42Å; H782-Y816 PolarHBondContact CE1-OH 3.43Å; H782-Y816 VanDerWaalsContact CE1-OH 3.28Å; H782-Y816 AromaticContact ND1-CZ 3.73Å; H782-Y816 PolarHBondContact ND1-OH 2.96Å; F805-Y816 AromaticContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CE2-CE2 3.79Å; F805-Y816 HydrophobicContact CZ-CE2 4.35Å; Y814-Y816 AromaticContact CD1-CD1 3.94Å; Y814-Y816 HydrophobicContact CD1-CD1 3.94Å; Y814-Y816 AromaticContact CD1-CD2 3.82Å; Y814-Y816 HydrophobicContact CD1-CD2 3.82Å; Y814-Y816 AromaticContact CD1-CE1 3.71Å; Y814-Y816 HydrophobicContact CD1-CE1 3.71Å; Y814-Y816 AromaticContact CD1-CE2 3.56Å; Y814-Y816 HydrophobicContact CD1-CE2 3.56Å; Y814-Y816 AromaticContact CD1-CG 3.97Å; Y814-Y816 HydrophobicContact CD1-CG 3.97Å; Y814-Y816 AromaticContact CD1-CZ 3.47Å; Y814-Y816 VanDerWaalsContact CD1-CZ 3.47Å; Y814-Y816 AromaticContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD1 3.75Å; Y814-Y816 HydrophobicContact CE1-CD2 4.4Å; Y814-Y816 AromaticContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE1 3.71Å; Y814-Y816 HydrophobicContact CE1-CE2 4.36Å; Y814-Y816 HydrophobicContact CE1-CG 4.09Å; Y814-Y816 AromaticContact CE1-CZ 3.99Å; Y814-Y816 HydrophobicContact CG-CE2 4.43Å; Y816-G818 PolarHBondContact O-N 3.44Å; Y816-S819 WeakPolarHBondContact O-CB 3.36Å; Y816-S819 PolarHBondContact O-N 2.9Å; Y816-S819 VanDerWaalsContact O-N 3.11Å; Y816-S819 PolarHBondContact O-OG 3.38Å | ||
| 817 | S | 85.8 | Confident | 82.4 | Confident | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 134.4 | 174.6 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | T775 N776 S819 E858 | T775-S817 CarbonylContact C-O 3.57Å; T775-S817 VanDerWaalsContact O-O 3.07Å; N776-S817 WeakPolarHBondContact CA-O 3.38Å; N776-S817 WeakPolarHBondContact CB-O 3.46Å; N776-S817 PolarHBondContact N-O 2.95Å; S817-S819 VanDerWaalsContact C-N 3.34Å; S817-S819 PolarHBondContact O-N 3.06Å; S817-E858 WeakPolarHBondContact CA-OE1 3.47Å |
| 818 | G | 80.8 | Confident | 83.6 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -5.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G772 T775 Y816 D820 E858 | G772-G818 WeakPolarHBondContact CA-O 3.32Å; G772-G818 PolarHBondContact N-O 3.1Å; T775-G818 WeakPolarHBondContact OG1-CA 3.35Å; Y816-G818 PolarHBondContact O-N 3.44Å; G818-D820 PolarHBondContact O-N 3.34Å; G818-E858 PolarHBondContact N-OE1 3.37Å |
| 819 | S | 81.9 | Confident | 84.9 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | trans | -67.9 | -16.1 | 177.9 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | Y816 S817 N821 | Y816-S819 WeakPolarHBondContact O-CB 3.36Å; Y816-S819 PolarHBondContact O-N 2.9Å; Y816-S819 VanDerWaalsContact O-N 3.11Å; Y816-S819 PolarHBondContact O-OG 3.38Å; S817-S819 VanDerWaalsContact C-N 3.34Å; S817-S819 PolarHBondContact O-N 3.06Å; S819-N821 PolarHBondContact O-N 3.45Å; S819-N821 PolarHBondContact O-OD1 3.33Å | ||
| 820 | D | 84.4 | Confident | 85.5 | Confident | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | trans | -68.6 | 114.5 | 178.4 | -76.4 | -18.2 | 0 | 0 | 0 | 113.5 | H815 G818 W822 Q855 | H815-D820 IonicContact CE1-OD1 2.67Å; G818-D820 PolarHBondContact O-N 3.34Å; D820-W822 PolarHBondContact O-N 2.91Å; D820-Q855 PolarHBondContact OD1-NE2 2.88Å; D820-Q855 WeakPolarHBondContact OD2-CB 3.42Å; D820-Q855 WeakPolarHBondContact OD2-CG 3.48Å | ||
| 821 | N | 83.4 | Confident | 86.2 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | trans | -69.6 | 121.3 | 161.7 | -53.5 | 72.6 | 0 | 0 | 0 | 109.7 | S819 K851 | S819-N821 PolarHBondContact O-N 3.45Å; S819-N821 PolarHBondContact O-OD1 3.33Å; N821-K851 WeakPolarHBondContact O-CE 3.27Å; N821-K851 PolarHBondContact O-NZ 3.46Å | ||
| 822 | W | 88 | Confident | 86.9 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 11% | 0.106 | 33% | 0.334 | C | S | . | . | trans | -110.8 | 120.5 | 175 | -80.5 | 76.1 | 0 | 0 | 0 | 111.3 | D820 E826 K827 F830 V848 K851 Q855 F859 | D820-W822 PolarHBondContact O-N 2.91Å; W822-E826 VanDerWaalsContact CA-OE2 3.3Å; W822-E826 WeakPolarHBondContact CA-OE2 3.2Å; W822-E826 HydrophobicContact CE3-CB 3.83Å; W822-E826 HydrophobicContact CZ3-CB 4.26Å; W822-K827 HydrophobicContact CB-CG 4.25Å; W822-K827 HydrophobicContact CE3-CG 4.5Å; W822-K827 WeakPolarHBondContact O-CE 3.35Å; W822-K827 PolarHBondContact O-NZ 3.06Å; W822-F830 HydrophobicContact CH2-CD2 4.07Å; W822-F830 HydrophobicContact CZ3-CB 3.99Å; W822-F830 HydrophobicContact CZ3-CD2 4.2Å; W822-F830 HydrophobicContact CZ3-CG 4.26Å; W822-V848 HydrophobicContact CZ3-CG1 4.22Å; W822-K851 HydrophobicContact CD2-CG 4.5Å; W822-K851 HydrophobicContact CE3-CG 4.47Å; W822-K851 HydrophobicContact CH2-CB 4.15Å; W822-K851 HydrophobicContact CH2-CG 3.78Å; W822-K851 HydrophobicContact CZ2-CB 4.25Å; W822-K851 HydrophobicContact CZ2-CD 4.12Å; W822-K851 HydrophobicContact CZ2-CG 3.78Å; W822-K851 HydrophobicContact CZ3-CG 4.13Å; W822-Q855 HydrophobicContact CZ2-CB 4.45Å; W822-F859 HydrophobicContact CB-CD2 4.44Å; W822-F859 HydrophobicContact CB-CE2 4.23Å; W822-F859 AromaticContact CD1-CD2 3.79Å; W822-F859 HydrophobicContact CD2-CB 4.35Å; W822-F859 AromaticContact CD2-CD2 3.51Å; W822-F859 HydrophobicContact CD2-CD2 3.51Å; W822-F859 AromaticContact CD2-CE2 3.95Å; W822-F859 HydrophobicContact CD2-CE2 3.95Å; W822-F859 AromaticContact CD2-CG 3.91Å; W822-F859 HydrophobicContact CD2-CG 3.91Å; W822-F859 AromaticContact CE2-CD2 3.59Å; W822-F859 AromaticContact CE2-CG 3.68Å; W822-F859 HydrophobicContact CE3-CD1 4.44Å; W822-F859 HydrophobicContact CE3-CD2 4.05Å; W822-F859 HydrophobicContact CE3-CE2 4.24Å; W822-F859 HydrophobicContact CE3-CG 4.18Å; W822-F859 AromaticContact CG-CD2 3.68Å; W822-F859 HydrophobicContact CG-CD2 3.68Å; W822-F859 AromaticContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CH2-CB 3.96Å; W822-F859 HydrophobicContact CH2-CD1 4.31Å; W822-F859 HydrophobicContact CH2-CG 4.06Å; W822-F859 HydrophobicContact CZ2-CB 3.39Å; W822-F859 HydrophobicContact CZ2-CD1 4.47Å; W822-F859 HydrophobicContact CZ2-CD2 4.18Å; W822-F859 AromaticContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ3-CD1 4.3Å; W822-F859 HydrophobicContact CZ3-CG 4.25Å; W822-F859 AromaticContact NE1-CD2 3.75Å | ||
| 823 | T | 90.4 | Very high | 87.8 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | trans | -73.8 | 164.8 | 177.2 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | E825 E826 K827 | T823-E825 VanDerWaalsContact C-N 3.31Å; T823-E825 PolarHBondContact OG1-N 3.29Å; T823-E826 HydrophobicContact CG2-CG 4.46Å; T823-E826 PolarHBondContact N-OE2 3.35Å; T823-E826 PolarHBondContact O-N 3.28Å; T823-E826 WeakPolarHBondContact OG1-CG 3.4Å; T823-E826 PolarHBondContact OG1-N 3.37Å; T823-K827 WeakPolarHBondContact O-CB 3.47Å; T823-K827 WeakPolarHBondContact O-CD 3.23Å; T823-K827 WeakPolarHBondContact O-CG 3.44Å; T823-K827 PolarHBondContact O-N 3.29Å | ||
| 824 | A | 88.6 | Confident | 88.7 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K827 C828 | A824-K827 PolarHBondContact O-N 3.04Å; A824-C828 VanDerWaalsContact O-CB 3.32Å; A824-C828 WeakPolarHBondContact O-CB 3.35Å; A824-C828 PolarHBondContact O-N 3.18Å |
| 825 | E | 91.4 | Very high | 89 | Confident | 136 Ų | 136 | 50 Ų | 50 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.6 | -48.5 | 174.8 | -65.9 | 178.5 | -146.9 | 0 | 0 | 112.2 | T823 K827 C828 Y829 | T823-E825 VanDerWaalsContact C-N 3.31Å; T823-E825 PolarHBondContact OG1-N 3.29Å; E825-K827 VanDerWaalsContact C-N 3.3Å; E825-K827 PolarHBondContact O-N 3.49Å; E825-C828 CarbonylContact O-C 3.58Å; E825-C828 WeakPolarHBondContact O-CA 3.49Å; E825-C828 WeakPolarHBondContact O-CB 3.3Å; E825-C828 PolarHBondContact O-N 3.49Å; E825-Y829 HydrophobicContact CB-CD2 4.43Å; E825-Y829 HydrophobicContact CB-CE2 4.32Å; E825-Y829 WeakPolarHBondContact O-CD2 3.37Å; E825-Y829 PolarHBondContact O-N 2.95Å |
| 826 | E | 93.6 | Very high | 89.4 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.1 | -72 | 176.3 | 141 | 0 | 0 | 111.3 | W822 T823 C828 Y829 F830 V848 T850 K851 | W822-E826 VanDerWaalsContact CA-OE2 3.3Å; W822-E826 WeakPolarHBondContact CA-OE2 3.2Å; W822-E826 HydrophobicContact CE3-CB 3.83Å; W822-E826 HydrophobicContact CZ3-CB 4.26Å; T823-E826 HydrophobicContact CG2-CG 4.46Å; T823-E826 PolarHBondContact N-OE2 3.35Å; T823-E826 PolarHBondContact O-N 3.28Å; T823-E826 WeakPolarHBondContact OG1-CG 3.4Å; T823-E826 PolarHBondContact OG1-N 3.37Å; E826-C828 VanDerWaalsContact C-N 3.35Å; E826-Y829 PolarHBondContact O-N 3.21Å; E826-F830 WeakPolarHBondContact O-CB 3.49Å; E826-F830 PolarHBondContact O-N 3Å; E826-V848 HydrophobicContact CB-CG1 4.25Å; E826-V848 HydrophobicContact CG-CG1 4.26Å; E826-T850 VanDerWaalsContact OE1-CB 3.28Å; E826-T850 WeakPolarHBondContact OE1-CB 3.34Å; E826-T850 PolarHBondContact OE1-OG1 3.36Å; E826-K851 IonicContact OE1-NZ 2.96Å; E826-K851 PolarHBondContact OE1-NZ 3.08Å; E826-K851 IonicContact OE2-NZ 3.57Å; E826-K851 PolarHBondContact OE2-NZ 2.9Å |
| 827 | K | 90.6 | Very high | 89.7 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 173.2 | -70.7 | 163.2 | 176.8 | 144 | 0 | 111.4 | W822 T823 A824 E825 F830 N831 F859 | W822-K827 HydrophobicContact CB-CG 4.25Å; W822-K827 HydrophobicContact CE3-CG 4.5Å; W822-K827 WeakPolarHBondContact O-CE 3.35Å; W822-K827 PolarHBondContact O-NZ 3.06Å; T823-K827 WeakPolarHBondContact O-CB 3.47Å; T823-K827 WeakPolarHBondContact O-CD 3.23Å; T823-K827 WeakPolarHBondContact O-CG 3.44Å; T823-K827 PolarHBondContact O-N 3.29Å; A824-K827 PolarHBondContact O-N 3.04Å; E825-K827 VanDerWaalsContact C-N 3.3Å; E825-K827 PolarHBondContact O-N 3.49Å; K827-F830 PolarHBondContact O-N 3.35Å; K827-N831 WeakPolarHBondContact O-CB 3.08Å; K827-N831 PolarHBondContact O-N 3.16Å; K827-N831 PolarHBondContact O-ND2 3.09Å; K827-F859 HydrophobicContact CG-CE2 4.15Å; K827-F859 HydrophobicContact CG-CZ 3.81Å |
| 828 | C | 90.3 | Very high | 89.9 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 177 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | A824 E825 E826 N831 K832 | A824-C828 VanDerWaalsContact O-CB 3.32Å; A824-C828 WeakPolarHBondContact O-CB 3.35Å; A824-C828 PolarHBondContact O-N 3.18Å; E825-C828 CarbonylContact O-C 3.58Å; E825-C828 WeakPolarHBondContact O-CA 3.49Å; E825-C828 WeakPolarHBondContact O-CB 3.3Å; E825-C828 PolarHBondContact O-N 3.49Å; E826-C828 VanDerWaalsContact C-N 3.35Å; C828-N831 PolarHBondContact O-N 3.01Å; C828-K832 WeakPolarHBondContact O-CB 3.29Å; C828-K832 WeakPolarHBondContact O-CD 3.46Å; C828-K832 VanDerWaalsContact O-CG 3.26Å; C828-K832 WeakPolarHBondContact O-CG 3.44Å; C828-K832 PolarHBondContact O-N 3.44Å; C828-K832 WeakPolarHBondContact SG-CE 3.49Å; C828-K832 PolarHBondContact SG-NZ 3.46Å |
| 829 | Y | 93.6 | Very high | 90.4 | Very high | 98 Ų | 98 | 65.3 Ų | 65.3 | 38% | 0.384 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 174.6 | -72.1 | -63.7 | 0 | 0 | 0 | 112.6 | E825 E826 K832 G833 L847 | E825-Y829 HydrophobicContact CB-CD2 4.43Å; E825-Y829 HydrophobicContact CB-CE2 4.32Å; E825-Y829 WeakPolarHBondContact O-CD2 3.37Å; E825-Y829 PolarHBondContact O-N 2.95Å; E826-Y829 PolarHBondContact O-N 3.21Å; Y829-K832 HydrophobicContact CD1-CD 4.28Å; Y829-K832 PolarHBondContact O-N 3.21Å; Y829-G833 PolarHBondContact O-N 2.93Å; Y829-L847 HydrophobicContact CD1-CD1 4.37Å; Y829-L847 HydrophobicContact CD1-CG 4.26Å; Y829-L847 WeakPolarHBondContact O-CD2 3.41Å |
| 830 | F | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 173.3 | 177.6 | -88.9 | 0 | 0 | 0 | 111.7 | W822 E826 K827 K832 G833 I834 V844 V848 C856 F859 Y860 F877 | W822-F830 HydrophobicContact CH2-CD2 4.07Å; W822-F830 HydrophobicContact CZ3-CB 3.99Å; W822-F830 HydrophobicContact CZ3-CD2 4.2Å; W822-F830 HydrophobicContact CZ3-CG 4.26Å; E826-F830 WeakPolarHBondContact O-CB 3.49Å; E826-F830 PolarHBondContact O-N 3Å; K827-F830 PolarHBondContact O-N 3.35Å; F830-K832 VanDerWaalsContact C-N 3.35Å; F830-K832 PolarHBondContact O-N 3.44Å; F830-G833 PolarHBondContact O-N 3.49Å; F830-G833 VanDerWaalsContact O-N 3.1Å; F830-I834 HydrophobicContact CD1-CG1 4.01Å; F830-I834 HydrophobicContact CD2-CG1 4.37Å; F830-I834 HydrophobicContact CE1-CD1 4.31Å; F830-I834 HydrophobicContact CE1-CG1 3.52Å; F830-I834 HydrophobicContact CE2-CD1 4.06Å; F830-I834 HydrophobicContact CE2-CG1 3.92Å; F830-I834 HydrophobicContact CG-CG1 4.41Å; F830-I834 HydrophobicContact CZ-CD1 3.75Å; F830-I834 HydrophobicContact CZ-CG1 3.46Å; F830-I834 VanDerWaalsContact CZ-CG1 3.46Å; F830-I834 WeakPolarHBondContact O-CG1 3.34Å; F830-I834 PolarHBondContact O-N 2.89Å; F830-V844 HydrophobicContact CD2-CG1 3.64Å; F830-V844 HydrophobicContact CE2-CG1 3.95Å; F830-V844 HydrophobicContact CG-CG1 4.48Å; F830-V848 HydrophobicContact CB-CG2 3.9Å; F830-C856 HydrophobicContact CE2-CB 4.43Å; F830-C856 WeakPolarHBondContact CE2-O 3.27Å; F830-F859 AromaticContact CD1-CD1 3.66Å; F830-F859 HydrophobicContact CD1-CD1 3.66Å; F830-F859 AromaticContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD1-CE1 3.49Å; F830-F859 VanDerWaalsContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD2-CD1 4.13Å; F830-F859 AromaticContact CE1-CD1 3.53Å; F830-F859 HydrophobicContact CE1-CD1 3.53Å; F830-F859 AromaticContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE2-CD1 4.02Å; F830-F859 AromaticContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CE1 4.06Å; F830-F859 AromaticContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CE1 4.31Å; F830-Y860 HydrophobicContact CZ-CD2 4.47Å; F830-F877 HydrophobicContact CD1-CB 4.29Å; F830-F877 HydrophobicContact CE1-CB 3.95Å; F830-F877 HydrophobicContact CE1-CD1 4.17Å; F830-F877 HydrophobicContact CE1-CD2 4.19Å; F830-F877 AromaticContact CE1-CG 3.87Å; F830-F877 HydrophobicContact CE1-CG 3.87Å |
| 831 | N | 91.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 177.1 | -79.3 | -54.1 | 0 | 0 | 0 | 112.1 | K827 C828 S835 L875 F877 | K827-N831 WeakPolarHBondContact O-CB 3.08Å; K827-N831 PolarHBondContact O-N 3.16Å; K827-N831 PolarHBondContact O-ND2 3.09Å; C828-N831 PolarHBondContact O-N 3.01Å; N831-S835 VanDerWaalsContact O-CB 3.28Å; N831-S835 WeakPolarHBondContact O-CB 3.4Å; N831-S835 PolarHBondContact O-N 2.98Å; N831-S835 PolarHBondContact O-OG 3.3Å; N831-L875 PolarHBondContact OD1-O 2.87Å; N831-F877 PolarHBondContact ND2-O 3.3Å; N831-F877 WeakPolarHBondContact OD1-CD2 3.48Å; N831-F877 PolarHBondContact OD1-N 3.02Å |
| 832 | K | 91.9 | Very high | 92.1 | Very high | 107 Ų | 107 | 67.3 Ų | 67.3 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 170.1 | -72.3 | 162.9 | 179.1 | 165.8 | 0 | 111.2 | C828 Y829 F830 S835 A836 L847 | C828-K832 WeakPolarHBondContact O-CB 3.29Å; C828-K832 WeakPolarHBondContact O-CD 3.46Å; C828-K832 VanDerWaalsContact O-CG 3.26Å; C828-K832 WeakPolarHBondContact O-CG 3.44Å; C828-K832 PolarHBondContact O-N 3.44Å; C828-K832 WeakPolarHBondContact SG-CE 3.49Å; C828-K832 PolarHBondContact SG-NZ 3.46Å; Y829-K832 HydrophobicContact CD1-CD 4.28Å; Y829-K832 PolarHBondContact O-N 3.21Å; F830-K832 VanDerWaalsContact C-N 3.35Å; F830-K832 PolarHBondContact O-N 3.44Å; K832-S835 WeakPolarHBondContact O-CB 3.46Å; K832-S835 PolarHBondContact O-N 3.11Å; K832-A836 WeakPolarHBondContact O-CB 3.37Å; K832-A836 PolarHBondContact O-N 3.46Å; K832-L847 HydrophobicContact CB-CD2 4Å |
| 833 | G | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.2 | -47.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y829 F830 S835 A836 Y837 | Y829-G833 PolarHBondContact O-N 2.93Å; F830-G833 PolarHBondContact O-N 3.49Å; F830-G833 VanDerWaalsContact O-N 3.1Å; G833-S835 VanDerWaalsContact C-N 3.26Å; G833-S835 PolarHBondContact O-N 3.27Å; G833-A836 PolarHBondContact O-N 3.37Å; G833-Y837 WeakPolarHBondContact O-CA 3.31Å; G833-Y837 WeakPolarHBondContact O-CB 3.25Å; G833-Y837 PolarHBondContact O-N 3.04Å |
| 834 | I | 93.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -31.5 | 175 | -65.2 | -66.9 | 0 | 0 | 0 | 111.1 | F830 R838 F841 V844 Y860 F877 | F830-I834 HydrophobicContact CD1-CG1 4.01Å; F830-I834 HydrophobicContact CD2-CG1 4.37Å; F830-I834 HydrophobicContact CE1-CD1 4.31Å; F830-I834 HydrophobicContact CE1-CG1 3.52Å; F830-I834 HydrophobicContact CE2-CD1 4.06Å; F830-I834 HydrophobicContact CE2-CG1 3.92Å; F830-I834 HydrophobicContact CG-CG1 4.41Å; F830-I834 HydrophobicContact CZ-CD1 3.75Å; F830-I834 HydrophobicContact CZ-CG1 3.46Å; F830-I834 VanDerWaalsContact CZ-CG1 3.46Å; F830-I834 WeakPolarHBondContact O-CG1 3.34Å; F830-I834 PolarHBondContact O-N 2.89Å; I834-R838 WeakPolarHBondContact CD1-O 3.4Å; I834-R838 WeakPolarHBondContact O-CA 3.22Å; I834-R838 PolarHBondContact O-N 3Å; I834-R838 VanDerWaalsContact O-N 3.13Å; I834-F841 HydrophobicContact CD1-CE1 4.03Å; I834-V844 HydrophobicContact CD1-CG1 4.42Å; I834-V844 HydrophobicContact CD1-CG2 3.87Å; I834-V844 HydrophobicContact CG1-CG2 4.37Å; I834-Y860 HydrophobicContact CD1-CD2 4.32Å; I834-F877 HydrophobicContact CG2-CE2 3.89Å; I834-F877 HydrophobicContact CG2-CZ 4.34Å |
| 835 | S | 90.5 | Very high | 93 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | N831 K832 G833 | N831-S835 VanDerWaalsContact O-CB 3.28Å; N831-S835 WeakPolarHBondContact O-CB 3.4Å; N831-S835 PolarHBondContact O-N 2.98Å; N831-S835 PolarHBondContact O-OG 3.3Å; K832-S835 WeakPolarHBondContact O-CB 3.46Å; K832-S835 PolarHBondContact O-N 3.11Å; G833-S835 VanDerWaalsContact C-N 3.26Å; G833-S835 PolarHBondContact O-N 3.27Å |
| 836 | A | 93.3 | Very high | 93.2 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 55% | 0.554 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -79.6 | -47.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | K832 G833 | K832-A836 WeakPolarHBondContact O-CB 3.37Å; K832-A836 PolarHBondContact O-N 3.46Å; G833-A836 PolarHBondContact O-N 3.37Å |
| 837 | Y | 93.5 | Very high | 93.2 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 41% | 0.408 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -110 | 4.2 | -169.9 | -46.9 | -60.6 | 0 | 0 | 0 | 113.7 | G833 K839 D840 L843 L847 | G833-Y837 WeakPolarHBondContact O-CA 3.31Å; G833-Y837 WeakPolarHBondContact O-CB 3.25Å; G833-Y837 PolarHBondContact O-N 3.04Å; Y837-K839 PolarHBondContact O-N 3.33Å; Y837-D840 PolarHBondContact O-N 3.2Å; Y837-L843 HydrophobicContact CD1-CB 4.12Å; Y837-L843 HydrophobicContact CD1-CD1 3.74Å; Y837-L843 HydrophobicContact CD2-CB 3.72Å; Y837-L843 HydrophobicContact CE1-CD1 4.26Å; Y837-L843 HydrophobicContact CE2-CB 4.24Å; Y837-L843 HydrophobicContact CG-CB 3.65Å; Y837-L843 HydrophobicContact CG-CD1 4.05Å; Y837-L847 HydrophobicContact CE2-CD2 4.4Å |
| 838 | R | 89.8 | Confident | 93.3 | Very high | 182 Ų | 182 | 65.8 Ų | 65.8 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -83.5 | 176.2 | -57 | -53.6 | -158.9 | -175.6 | 5.7 | 115.2 | I834 | I834-R838 WeakPolarHBondContact CD1-O 3.4Å; I834-R838 WeakPolarHBondContact O-CA 3.22Å; I834-R838 PolarHBondContact O-N 3Å; I834-R838 VanDerWaalsContact O-N 3.13Å |
| 839 | K | 92.3 | Very high | 93.4 | Very high | 133 Ų | 133 | 73 Ų | 73 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | 13.9 | -178 | -64.5 | -178.4 | -174.3 | 166.8 | 0 | 112.2 | Y837 F841 Y860 | Y837-K839 PolarHBondContact O-N 3.33Å; K839-F841 HydrophobicContact CB-CE2 4.08Å; K839-F841 HydrophobicContact CB-CZ 4.46Å; K839-F841 WeakPolarHBondContact O-CD2 3.33Å; K839-F841 WeakPolarHBondContact O-CE2 3.42Å; K839-F841 PolarHBondContact O-N 3.43Å; K839-Y860 WeakPolarHBondContact CE-OH 3.44Å |
| 840 | D | 95.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 73 Ų | 73 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | trans | -73.1 | 88.2 | 165.4 | -170.9 | -33.6 | 0 | 0 | 0 | 108.3 | Y837 F842 L843 V844 | Y837-D840 PolarHBondContact O-N 3.2Å; D840-F842 PolarHBondContact O-N 2.9Å; D840-F842 WeakPolarHBondContact OD1-CB 3.35Å; D840-F842 PolarHBondContact OD1-N 3.27Å; D840-L843 HydrophobicContact CB-CB 4.18Å; D840-L843 HydrophobicContact CB-CD1 4.2Å; D840-L843 HydrophobicContact CB-CG 4.3Å; D840-L843 PolarHBondContact O-N 3.24Å; D840-L843 PolarHBondContact OD1-N 3.48Å; D840-L843 WeakPolarHBondContact OD2-CD1 3.37Å; D840-L843 WeakPolarHBondContact OD2-CG 3.43Å; D840-V844 VanDerWaalsContact O-CG2 3.26Å; D840-V844 WeakPolarHBondContact O-CG2 3.15Å; D840-V844 PolarHBondContact O-N 3.27Å | ||
| 841 | F | 94.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 74 Ų | 74 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67 | -15.7 | -178.4 | -65.5 | -75.5 | 0 | 0 | 0 | 112.8 | I834 K839 Q845 V853 C856 V857 Y860 | I834-F841 HydrophobicContact CD1-CE1 4.03Å; K839-F841 HydrophobicContact CB-CE2 4.08Å; K839-F841 HydrophobicContact CB-CZ 4.46Å; K839-F841 WeakPolarHBondContact O-CD2 3.33Å; K839-F841 WeakPolarHBondContact O-CE2 3.42Å; K839-F841 PolarHBondContact O-N 3.43Å; F841-Q845 WeakPolarHBondContact O-CB 3.2Å; F841-Q845 PolarHBondContact O-N 2.93Å; F841-V853 HydrophobicContact CB-CG1 3.84Å; F841-C856 HydrophobicContact CD1-CB 4.43Å; F841-V857 HydrophobicContact CB-CG2 3.99Å; F841-V857 HydrophobicContact CD1-CG2 3.78Å; F841-V857 HydrophobicContact CD2-CG2 3.61Å; F841-V857 HydrophobicContact CE1-CG2 4.13Å; F841-V857 HydrophobicContact CE2-CG2 3.98Å; F841-V857 HydrophobicContact CG-CG2 3.51Å; F841-V857 HydrophobicContact CZ-CG2 4.22Å; F841-Y860 HydrophobicContact CE1-CD1 4.36Å; F841-Y860 HydrophobicContact CE1-CD2 4.47Å; F841-Y860 AromaticContact CE1-CG 3.96Å; F841-Y860 HydrophobicContact CE1-CG 3.96Å; F841-Y860 AromaticContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD2 4.38Å; F841-Y860 HydrophobicContact CZ-CE1 4.34Å; F841-Y860 AromaticContact CZ-CG 3.81Å; F841-Y860 HydrophobicContact CZ-CG 3.81Å |
| 842 | F | 96.1 | Very high | 93.5 | Very high | 138 Ų | 138 | 76.4 Ų | 76.4 | 61% | 0.605 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -76.3 | -40.4 | 172.1 | -59.4 | -81.7 | 0 | 0 | 0 | 111.3 | D840 K846 V853 | D840-F842 PolarHBondContact O-N 2.9Å; D840-F842 WeakPolarHBondContact OD1-CB 3.35Å; D840-F842 PolarHBondContact OD1-N 3.27Å; F842-K846 WeakPolarHBondContact O-CG 3.47Å; F842-K846 PolarHBondContact O-N 2.91Å; F842-V853 HydrophobicContact CD1-CG2 3.8Å; F842-V853 HydrophobicContact CE1-CG1 4.37Å; F842-V853 HydrophobicContact CE1-CG2 4.07Å |
| 843 | L | 94.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.2 | -36.6 | 173.2 | -66.5 | 179 | 0 | 0 | 0 | 112.5 | Y837 D840 K846 L847 | Y837-L843 HydrophobicContact CD1-CB 4.12Å; Y837-L843 HydrophobicContact CD1-CD1 3.74Å; Y837-L843 HydrophobicContact CD2-CB 3.72Å; Y837-L843 HydrophobicContact CE1-CD1 4.26Å; Y837-L843 HydrophobicContact CE2-CB 4.24Å; Y837-L843 HydrophobicContact CG-CB 3.65Å; Y837-L843 HydrophobicContact CG-CD1 4.05Å; D840-L843 HydrophobicContact CB-CB 4.18Å; D840-L843 HydrophobicContact CB-CD1 4.2Å; D840-L843 HydrophobicContact CB-CG 4.3Å; D840-L843 PolarHBondContact O-N 3.24Å; D840-L843 PolarHBondContact OD1-N 3.48Å; D840-L843 WeakPolarHBondContact OD2-CD1 3.37Å; D840-L843 WeakPolarHBondContact OD2-CG 3.43Å; L843-K846 HydrophobicContact CD2-CD 4.47Å; L843-K846 PolarHBondContact O-N 3.04Å; L843-L847 PolarHBondContact O-N 3.43Å |
| 844 | V | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 171.1 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | F830 I834 D840 K846 L847 V848 | F830-V844 HydrophobicContact CD2-CG1 3.64Å; F830-V844 HydrophobicContact CE2-CG1 3.95Å; F830-V844 HydrophobicContact CG-CG1 4.48Å; I834-V844 HydrophobicContact CD1-CG1 4.42Å; I834-V844 HydrophobicContact CD1-CG2 3.87Å; I834-V844 HydrophobicContact CG1-CG2 4.37Å; D840-V844 VanDerWaalsContact O-CG2 3.26Å; D840-V844 WeakPolarHBondContact O-CG2 3.15Å; D840-V844 PolarHBondContact O-N 3.27Å; V844-K846 PolarHBondContact O-N 3.33Å; V844-L847 PolarHBondContact O-N 3.4Å; V844-V848 HydrophobicContact CG1-CG2 4.45Å; V844-V848 PolarHBondContact O-N 3.48Å |
| 845 | Q | 95.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 77.9 Ų | 77.9 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.5 | -172.5 | -76.7 | -32.5 | 0 | 0 | 111.7 | F841 L847 V848 R849 K851 V853 | F841-Q845 WeakPolarHBondContact O-CB 3.2Å; F841-Q845 PolarHBondContact O-N 2.93Å; Q845-L847 PolarHBondContact O-N 3.45Å; Q845-V848 PolarHBondContact O-N 2.97Å; Q845-R849 WeakPolarHBondContact O-CA 3.45Å; Q845-R849 PolarHBondContact O-N 2.96Å; Q845-K851 WeakPolarHBondContact CG-O 3.28Å; Q845-K851 PolarHBondContact NE2-O 2.95Å; Q845-V853 HydrophobicContact CB-CG2 3.92Å; Q845-V853 HydrophobicContact CG-CG2 3.91Å |
| 846 | K | 95.1 | Very high | 93.8 | Very high | 143 Ų | 143 | 75.4 Ų | 75.4 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.1 | -22.5 | 175 | -76.7 | 174.7 | 179 | -178 | 0 | 114.3 | F842 L843 V844 R849 | F842-K846 WeakPolarHBondContact O-CG 3.47Å; F842-K846 PolarHBondContact O-N 2.91Å; L843-K846 HydrophobicContact CD2-CD 4.47Å; L843-K846 PolarHBondContact O-N 3.04Å; V844-K846 PolarHBondContact O-N 3.33Å; K846-R849 VanDerWaalsContact O-CG 3.31Å; K846-R849 WeakPolarHBondContact O-CG 3.44Å |
| 847 | L | 93.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 74.4 Ų | 74.4 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -87.4 | -36.8 | 176 | -170.3 | 63.6 | 0 | 0 | 0 | 112.6 | Y829 K832 Y837 L843 V844 Q845 | Y829-L847 HydrophobicContact CD1-CD1 4.37Å; Y829-L847 HydrophobicContact CD1-CG 4.26Å; Y829-L847 WeakPolarHBondContact O-CD2 3.41Å; K832-L847 HydrophobicContact CB-CD2 4Å; Y837-L847 HydrophobicContact CE2-CD2 4.4Å; L843-L847 PolarHBondContact O-N 3.43Å; V844-L847 PolarHBondContact O-N 3.4Å; Q845-L847 PolarHBondContact O-N 3.45Å |
| 848 | V | 93 | Very high | 93.7 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.2 | -35.5 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | W822 E826 F830 V844 Q845 T850 K851 | W822-V848 HydrophobicContact CZ3-CG1 4.22Å; E826-V848 HydrophobicContact CB-CG1 4.25Å; E826-V848 HydrophobicContact CG-CG1 4.26Å; F830-V848 HydrophobicContact CB-CG2 3.9Å; V844-V848 HydrophobicContact CG1-CG2 4.45Å; V844-V848 PolarHBondContact O-N 3.48Å; Q845-V848 PolarHBondContact O-N 2.97Å; V848-T850 PolarHBondContact O-N 3.41Å; V848-T850 PolarHBondContact O-OG1 3.12Å; V848-K851 HydrophobicContact CG1-CB 3.93Å; V848-K851 HydrophobicContact CG1-CG 3.86Å |
| 849 | R | 92.3 | Very high | 93.7 | Very high | 202 Ų | 202 | 63 Ų | 63 | 76% | 0.762 | 31% | 0.314 | S | S | * | . | trans | 63.9 | -48.5 | 178.7 | -57.7 | 177.2 | 177.4 | 176.7 | -1.6 | 116.5 | Q845 K846 | Q845-R849 WeakPolarHBondContact O-CA 3.45Å; Q845-R849 PolarHBondContact O-N 2.96Å; K846-R849 VanDerWaalsContact O-CG 3.31Å; K846-R849 WeakPolarHBondContact O-CG 3.44Å | ||
| 850 | T | 92.8 | Very high | 93.6 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -71.1 | -30.6 | -175.1 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | E826 V848 | E826-T850 VanDerWaalsContact OE1-CB 3.28Å; E826-T850 WeakPolarHBondContact OE1-CB 3.34Å; E826-T850 PolarHBondContact OE1-OG1 3.36Å; V848-T850 PolarHBondContact O-N 3.41Å; V848-T850 PolarHBondContact O-OG1 3.12Å |
| 851 | K | 93.3 | Very high | 93.3 | Very high | 22 Ų | 22 | 61 Ų | 61 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -94.8 | 156.3 | -178.8 | -63 | -66 | -167.7 | -97.3 | 0 | 111.5 | N821 W822 E826 Q845 V848 Q855 | N821-K851 WeakPolarHBondContact O-CE 3.27Å; N821-K851 PolarHBondContact O-NZ 3.46Å; W822-K851 HydrophobicContact CD2-CG 4.5Å; W822-K851 HydrophobicContact CE3-CG 4.47Å; W822-K851 HydrophobicContact CH2-CB 4.15Å; W822-K851 HydrophobicContact CH2-CG 3.78Å; W822-K851 HydrophobicContact CZ2-CB 4.25Å; W822-K851 HydrophobicContact CZ2-CD 4.12Å; W822-K851 HydrophobicContact CZ2-CG 3.78Å; W822-K851 HydrophobicContact CZ3-CG 4.13Å; E826-K851 IonicContact OE1-NZ 2.96Å; E826-K851 PolarHBondContact OE1-NZ 3.08Å; E826-K851 IonicContact OE2-NZ 3.57Å; E826-K851 PolarHBondContact OE2-NZ 2.9Å; Q845-K851 WeakPolarHBondContact CG-O 3.28Å; Q845-K851 PolarHBondContact NE2-O 2.95Å; V848-K851 HydrophobicContact CG1-CB 3.93Å; V848-K851 HydrophobicContact CG1-CG 3.86Å; K851-Q855 HydrophobicContact CB-CB 4.29Å; K851-Q855 HydrophobicContact CD-CB 4.33Å |
| 852 | T | 94.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | trans | -84.8 | 168.4 | 171.2 | 70.7 | 0 | 0 | 0 | 0 | 111.7 | A854 Q855 C856 | T852-A854 VanDerWaalsContact C-N 3.27Å; T852-A854 PolarHBondContact O-N 3.36Å; T852-A854 PolarHBondContact OG1-N 2.88Å; T852-Q855 PolarHBondContact O-N 3.22Å; T852-Q855 WeakPolarHBondContact OG1-CG 3.49Å; T852-Q855 PolarHBondContact OG1-N 3.39Å; T852-Q855 PolarHBondContact OG1-OE1 3.36Å; T852-C856 WeakPolarHBondContact O-CB 3.36Å; T852-C856 PolarHBondContact O-N 2.9Å; T852-C856 PolarHBondContact O-SG 3.4Å | ||
| 853 | V | 94.8 | Very high | 92 | Very high | 42 Ų | 42 | 58 Ų | 58 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | F841 F842 Q845 C856 V857 | F841-V853 HydrophobicContact CB-CG1 3.84Å; F842-V853 HydrophobicContact CD1-CG2 3.8Å; F842-V853 HydrophobicContact CE1-CG1 4.37Å; F842-V853 HydrophobicContact CE1-CG2 4.07Å; Q845-V853 HydrophobicContact CB-CG2 3.92Å; Q845-V853 HydrophobicContact CG-CG2 3.91Å; V853-C856 PolarHBondContact O-N 3.3Å; V853-V857 VanDerWaalsContact O-CG2 3.32Å; V853-V857 WeakPolarHBondContact O-CG2 3.49Å; V853-V857 PolarHBondContact O-N 2.96Å |
| 854 | A | 94 | Very high | 91.3 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.8 | -51 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T852 C856 V857 E858 | T852-A854 VanDerWaalsContact C-N 3.27Å; T852-A854 PolarHBondContact O-N 3.36Å; T852-A854 PolarHBondContact OG1-N 2.88Å; A854-C856 VanDerWaalsContact C-N 3.31Å; A854-C856 PolarHBondContact O-N 3.22Å; A854-V857 WeakPolarHBondContact O-CB 3.44Å; A854-V857 PolarHBondContact O-N 2.97Å; A854-E858 PolarHBondContact O-N 2.98Å |
| 855 | Q | 92.3 | Very high | 90.1 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 176.2 | -64.3 | 172.5 | -54.3 | 0 | 0 | 111.4 | D820 W822 K851 T852 V857 E858 F859 | D820-Q855 PolarHBondContact OD1-NE2 2.88Å; D820-Q855 WeakPolarHBondContact OD2-CB 3.42Å; D820-Q855 WeakPolarHBondContact OD2-CG 3.48Å; W822-Q855 HydrophobicContact CZ2-CB 4.45Å; K851-Q855 HydrophobicContact CB-CB 4.29Å; K851-Q855 HydrophobicContact CD-CB 4.33Å; T852-Q855 PolarHBondContact O-N 3.22Å; T852-Q855 WeakPolarHBondContact OG1-CG 3.49Å; T852-Q855 PolarHBondContact OG1-N 3.39Å; T852-Q855 PolarHBondContact OG1-OE1 3.36Å; Q855-V857 VanDerWaalsContact C-N 3.33Å; Q855-V857 PolarHBondContact O-N 2.86Å; Q855-E858 PolarHBondContact O-N 3.01Å; Q855-F859 WeakPolarHBondContact O-CB 3.39Å; Q855-F859 PolarHBondContact O-N 2.96Å |
| 856 | C | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 174.7 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | F830 F841 T852 V853 A854 Y860 | F830-C856 HydrophobicContact CE2-CB 4.43Å; F830-C856 WeakPolarHBondContact CE2-O 3.27Å; F841-C856 HydrophobicContact CD1-CB 4.43Å; T852-C856 WeakPolarHBondContact O-CB 3.36Å; T852-C856 PolarHBondContact O-N 2.9Å; T852-C856 PolarHBondContact O-SG 3.4Å; V853-C856 PolarHBondContact O-N 3.3Å; A854-C856 VanDerWaalsContact C-N 3.31Å; A854-C856 PolarHBondContact O-N 3.22Å; C856-Y860 WeakPolarHBondContact O-CB 3.48Å; C856-Y860 PolarHBondContact O-N 3.28Å |
| 857 | V | 93.4 | Very high | 87 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 29% | 0.285 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.7 | -41.3 | 174.9 | 169.1 | 0 | 0 | 0 | 0 | 111 | F841 V853 A854 Q855 Y860 Y861 | F841-V857 HydrophobicContact CB-CG2 3.99Å; F841-V857 HydrophobicContact CD1-CG2 3.78Å; F841-V857 HydrophobicContact CD2-CG2 3.61Å; F841-V857 HydrophobicContact CE1-CG2 4.13Å; F841-V857 HydrophobicContact CE2-CG2 3.98Å; F841-V857 HydrophobicContact CG-CG2 3.51Å; F841-V857 HydrophobicContact CZ-CG2 4.22Å; V853-V857 VanDerWaalsContact O-CG2 3.32Å; V853-V857 WeakPolarHBondContact O-CG2 3.49Å; V853-V857 PolarHBondContact O-N 2.96Å; A854-V857 WeakPolarHBondContact O-CB 3.44Å; A854-V857 PolarHBondContact O-N 2.97Å; Q855-V857 VanDerWaalsContact C-N 3.33Å; Q855-V857 PolarHBondContact O-N 2.86Å; V857-Y860 WeakPolarHBondContact O-CB 3.26Å; V857-Y860 PolarHBondContact O-N 2.96Å; V857-Y861 HydrophobicContact CG1-CD2 3.98Å; V857-Y861 HydrophobicContact CG1-CE2 4.06Å; V857-Y861 VanDerWaalsContact O-CD2 3.32Å; V857-Y861 WeakPolarHBondContact O-CD2 3.4Å; V857-Y861 PolarHBondContact O-N 3.39Å; V857-Y861 VanDerWaalsContact O-N 3.11Å |
| 858 | E | 91.2 | Very high | 85.4 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.7 | -54.9 | 176.5 | -169.4 | -169.6 | 138.3 | 0 | 0 | 111 | H815 S817 G818 A854 Q855 Y860 Y861 S862 | H815-E858 IonicContact CD2-OE2 3.84Å; H815-E858 IonicContact CE1-OE2 2.77Å; H815-E858 IonicContact NE2-OE2 3.52Å; H815-E858 PolarHBondContact NE2-OE2 3.17Å; S817-E858 WeakPolarHBondContact CA-OE1 3.47Å; G818-E858 PolarHBondContact N-OE1 3.37Å; A854-E858 PolarHBondContact O-N 2.98Å; Q855-E858 PolarHBondContact O-N 3.01Å; E858-Y860 PolarHBondContact O-N 3.02Å; E858-Y861 PolarHBondContact O-N 3.48Å; E858-S862 PolarHBondContact O-N 3.05Å; E858-S862 PolarHBondContact O-OG 3.4Å |
| 859 | F | 89.9 | Confident | 83.6 | Confident | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.7 | -39.8 | 177.8 | -177.4 | -90.4 | 0 | 0 | 0 | 112.1 | W822 K827 F830 Q855 Y861 Y863 F877 | W822-F859 HydrophobicContact CB-CD2 4.44Å; W822-F859 HydrophobicContact CB-CE2 4.23Å; W822-F859 AromaticContact CD1-CD2 3.79Å; W822-F859 HydrophobicContact CD2-CB 4.35Å; W822-F859 AromaticContact CD2-CD2 3.51Å; W822-F859 HydrophobicContact CD2-CD2 3.51Å; W822-F859 AromaticContact CD2-CE2 3.95Å; W822-F859 HydrophobicContact CD2-CE2 3.95Å; W822-F859 AromaticContact CD2-CG 3.91Å; W822-F859 HydrophobicContact CD2-CG 3.91Å; W822-F859 AromaticContact CE2-CD2 3.59Å; W822-F859 AromaticContact CE2-CG 3.68Å; W822-F859 HydrophobicContact CE3-CD1 4.44Å; W822-F859 HydrophobicContact CE3-CD2 4.05Å; W822-F859 HydrophobicContact CE3-CE2 4.24Å; W822-F859 HydrophobicContact CE3-CG 4.18Å; W822-F859 AromaticContact CG-CD2 3.68Å; W822-F859 HydrophobicContact CG-CD2 3.68Å; W822-F859 AromaticContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CG-CE2 3.95Å; W822-F859 HydrophobicContact CH2-CB 3.96Å; W822-F859 HydrophobicContact CH2-CD1 4.31Å; W822-F859 HydrophobicContact CH2-CG 4.06Å; W822-F859 HydrophobicContact CZ2-CB 3.39Å; W822-F859 HydrophobicContact CZ2-CD1 4.47Å; W822-F859 HydrophobicContact CZ2-CD2 4.18Å; W822-F859 AromaticContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ2-CG 3.78Å; W822-F859 HydrophobicContact CZ3-CD1 4.3Å; W822-F859 HydrophobicContact CZ3-CG 4.25Å; W822-F859 AromaticContact NE1-CD2 3.75Å; K827-F859 HydrophobicContact CG-CE2 4.15Å; K827-F859 HydrophobicContact CG-CZ 3.81Å; F830-F859 AromaticContact CD1-CD1 3.66Å; F830-F859 HydrophobicContact CD1-CD1 3.66Å; F830-F859 AromaticContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD1-CE1 3.49Å; F830-F859 VanDerWaalsContact CD1-CE1 3.49Å; F830-F859 HydrophobicContact CD2-CD1 4.13Å; F830-F859 AromaticContact CE1-CD1 3.53Å; F830-F859 HydrophobicContact CE1-CD1 3.53Å; F830-F859 AromaticContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE1-CE1 3.64Å; F830-F859 HydrophobicContact CE2-CD1 4.02Å; F830-F859 AromaticContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CD1 3.96Å; F830-F859 HydrophobicContact CG-CE1 4.06Å; F830-F859 AromaticContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CD1 3.72Å; F830-F859 HydrophobicContact CZ-CE1 4.31Å; Q855-F859 WeakPolarHBondContact O-CB 3.39Å; Q855-F859 PolarHBondContact O-N 2.96Å; F859-Y861 PolarHBondContact O-N 3.3Å; F859-Y863 HydrophobicContact CD1-CD2 4.39Å; F859-Y863 AromaticContact CD2-CD2 3.61Å; F859-Y863 HydrophobicContact CD2-CD2 3.61Å; F859-Y863 AromaticContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CE1-CD2 4.14Å; F859-Y863 AromaticContact CE2-CD2 3.31Å; F859-Y863 HydrophobicContact CE2-CD2 3.31Å; F859-Y863 AromaticContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CG 4.38Å; F859-Y863 HydrophobicContact CG-CD2 4.13Å; F859-Y863 AromaticContact CZ-CD2 3.58Å; F859-Y863 HydrophobicContact CZ-CD2 3.58Å; F859-Y863 AromaticContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CG 4.27Å; F859-Y863 PolarHBondContact O-N 3.48Å; F859-Y863 VanDerWaalsContact O-N 3.13Å; F859-F877 HydrophobicContact CE1-CB 3.8Å; F859-F877 HydrophobicContact CZ-CB 4.38Å |
| 860 | Y | 90.4 | Very high | 82 | Confident | 20 Ų | 20 | 68.4 Ų | 68.4 | 8% | 0.078 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.5 | -53.5 | 171.1 | 173.6 | -106.4 | 0 | 0 | 0 | 111.4 | F830 I834 K839 F841 C856 V857 E858 K864 F877 | F830-Y860 HydrophobicContact CZ-CD2 4.47Å; I834-Y860 HydrophobicContact CD1-CD2 4.32Å; K839-Y860 WeakPolarHBondContact CE-OH 3.44Å; F841-Y860 HydrophobicContact CE1-CD1 4.36Å; F841-Y860 HydrophobicContact CE1-CD2 4.47Å; F841-Y860 AromaticContact CE1-CG 3.96Å; F841-Y860 HydrophobicContact CE1-CG 3.96Å; F841-Y860 AromaticContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD1 3.78Å; F841-Y860 HydrophobicContact CZ-CD2 4.38Å; F841-Y860 HydrophobicContact CZ-CE1 4.34Å; F841-Y860 AromaticContact CZ-CG 3.81Å; F841-Y860 HydrophobicContact CZ-CG 3.81Å; C856-Y860 WeakPolarHBondContact O-CB 3.48Å; C856-Y860 PolarHBondContact O-N 3.28Å; V857-Y860 WeakPolarHBondContact O-CB 3.26Å; V857-Y860 PolarHBondContact O-N 2.96Å; E858-Y860 PolarHBondContact O-N 3.02Å; Y860-K864 HydrophobicContact CE1-CD 3.82Å; Y860-K864 WeakPolarHBondContact O-CA 3.41Å; Y860-K864 WeakPolarHBondContact O-CB 3.29Å; Y860-K864 PolarHBondContact O-N 3.37Å; Y860-K864 WeakPolarHBondContact OH-CE 3.34Å; Y860-K864 PolarHBondContact OH-NZ 2.94Å; Y860-F877 HydrophobicContact CD2-CD1 4.45Å; Y860-F877 AromaticContact CD2-CE1 3.54Å; Y860-F877 HydrophobicContact CD2-CE1 3.54Å; Y860-F877 AromaticContact CD2-CZ 3.79Å; Y860-F877 HydrophobicContact CD2-CZ 3.79Å; Y860-F877 AromaticContact CE2-CE1 3.79Å; Y860-F877 HydrophobicContact CE2-CE1 3.79Å; Y860-F877 AromaticContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CG-CE1 4.49Å |
| 861 | Y | 88.8 | Confident | 80 | Confident | 139 Ų | 139 | 75.7 Ų | 75.7 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | -175.9 | -84 | -80.4 | 0 | 0 | 0 | 113.7 | V857 E858 F859 Y863 K864 | V857-Y861 HydrophobicContact CG1-CD2 3.98Å; V857-Y861 HydrophobicContact CG1-CE2 4.06Å; V857-Y861 VanDerWaalsContact O-CD2 3.32Å; V857-Y861 WeakPolarHBondContact O-CD2 3.4Å; V857-Y861 PolarHBondContact O-N 3.39Å; V857-Y861 VanDerWaalsContact O-N 3.11Å; E858-Y861 PolarHBondContact O-N 3.48Å; F859-Y861 PolarHBondContact O-N 3.3Å; Y861-Y863 PolarHBondContact O-N 3.04Å; Y861-K864 HydrophobicContact CD1-CD 4.23Å; Y861-K864 HydrophobicContact CE1-CD 4.4Å; Y861-K864 PolarHBondContact O-N 3.39Å |
| 862 | S | 84.4 | Confident | 78 | Confident | 43 Ų | 43 | 81 Ų | 81 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 177.5 | -64 | 0 | 0 | 0 | 0 | 111.6 | E858 | E858-S862 PolarHBondContact O-N 3.05Å; E858-S862 PolarHBondContact O-OG 3.4Å |
| 863 | Y | 78.8 | Confident | 76 | Confident | 61 Ų | 61 | 80 Ų | 80 | 24% | 0.239 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -87.8 | -15 | 178.3 | -72.6 | -77.2 | 0 | 0 | 0 | 114.7 | F859 Y861 K865 Q866 V867 | F859-Y863 HydrophobicContact CD1-CD2 4.39Å; F859-Y863 AromaticContact CD2-CD2 3.61Å; F859-Y863 HydrophobicContact CD2-CD2 3.61Å; F859-Y863 AromaticContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CD2-CE2 3.64Å; F859-Y863 HydrophobicContact CE1-CD2 4.14Å; F859-Y863 AromaticContact CE2-CD2 3.31Å; F859-Y863 HydrophobicContact CE2-CD2 3.31Å; F859-Y863 AromaticContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CE2 3.23Å; F859-Y863 HydrophobicContact CE2-CG 4.38Å; F859-Y863 HydrophobicContact CG-CD2 4.13Å; F859-Y863 AromaticContact CZ-CD2 3.58Å; F859-Y863 HydrophobicContact CZ-CD2 3.58Å; F859-Y863 AromaticContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CE2 3.9Å; F859-Y863 HydrophobicContact CZ-CG 4.27Å; F859-Y863 PolarHBondContact O-N 3.48Å; F859-Y863 VanDerWaalsContact O-N 3.13Å; Y861-Y863 PolarHBondContact O-N 3.04Å; Y863-K865 PolarHBondContact O-N 3.5Å; Y863-K865 VanDerWaalsContact O-N 3.08Å; Y863-Q866 HydrophobicContact CD1-CB 4.31Å; Y863-Q866 CarbonylContact O-C 3.47Å; Y863-Q866 WeakPolarHBondContact O-CA 3.4Å; Y863-Q866 WeakPolarHBondContact O-CB 3.44Å; Y863-Q866 PolarHBondContact O-N 3.4Å; Y863-V867 WeakPolarHBondContact O-CG2 3.48Å; Y863-V867 PolarHBondContact O-N 3.47Å |
| 864 | K | 81.4 | Confident | 74.4 | Confident | 89 Ų | 89 | 82 Ų | 82 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -50.8 | -36.6 | -179.5 | -175.2 | 172.1 | -177.6 | 171.5 | 0 | 115 | Y860 Y861 F877 | Y860-K864 HydrophobicContact CE1-CD 3.82Å; Y860-K864 WeakPolarHBondContact O-CA 3.41Å; Y860-K864 WeakPolarHBondContact O-CB 3.29Å; Y860-K864 PolarHBondContact O-N 3.37Å; Y860-K864 WeakPolarHBondContact OH-CE 3.34Å; Y860-K864 PolarHBondContact OH-NZ 2.94Å; Y861-K864 HydrophobicContact CD1-CD 4.23Å; Y861-K864 HydrophobicContact CE1-CD 4.4Å; Y861-K864 PolarHBondContact O-N 3.39Å; K864-F877 HydrophobicContact CB-CE1 4.5Å |
| 865 | K | 68.7 | Low | 72.8 | Confident | 205 Ų | 205 | 82.5 Ų | 82.5 | 89% | 0.891 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23 | 176.7 | -66.1 | 178.2 | -176.9 | 170.1 | 0 | 112.9 | Y863 | Y863-K865 PolarHBondContact O-N 3.5Å; Y863-K865 VanDerWaalsContact O-N 3.08Å |
| 866 | Q | 64.1 | Low | 71.6 | Confident | 123 Ų | 123 | 83.1 Ų | 83.1 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -8.4 | -178.6 | -53.2 | -171.3 | 18.8 | 0 | 0 | 113.1 | Y863 K868 | Y863-Q866 HydrophobicContact CD1-CB 4.31Å; Y863-Q866 CarbonylContact O-C 3.47Å; Y863-Q866 WeakPolarHBondContact O-CA 3.4Å; Y863-Q866 WeakPolarHBondContact O-CB 3.44Å; Y863-Q866 PolarHBondContact O-N 3.4Å; Q866-K868 PolarHBondContact O-N 3Å |
| 867 | V | 63.1 | Low | 70.3 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 19% | 0.188 | 41% | 0.413 | C | S | . | . | trans | -54.5 | 104.2 | 179.3 | 177 | 0 | 0 | 0 | 0 | 110.3 | Y863 L875 F877 | Y863-V867 WeakPolarHBondContact O-CG2 3.48Å; Y863-V867 PolarHBondContact O-N 3.47Å; V867-L875 HydrophobicContact CG1-CB 3.67Å; V867-L875 HydrophobicContact CG1-CD2 3.77Å; V867-L875 HydrophobicContact CG1-CG 4.16Å; V867-F877 HydrophobicContact CG2-CD1 3.6Å; V867-F877 HydrophobicContact CG2-CD2 4.12Å; V867-F877 HydrophobicContact CG2-CE1 3.44Å; V867-F877 VanDerWaalsContact CG2-CE1 3.44Å; V867-F877 HydrophobicContact CG2-CE2 3.97Å; V867-F877 HydrophobicContact CG2-CG 3.93Å; V867-F877 HydrophobicContact CG2-CZ 3.63Å | ||
| 868 | K | 58.7 | Low | 68.9 | Low | 167 Ų | 167 | 81.9 Ų | 81.9 | 73% | 0.726 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 116.3 | 165.2 | -68.1 | 167.5 | -173.3 | 170 | 0 | 106.1 | Q866 G870 | Q866-K868 PolarHBondContact O-N 3Å; K868-G870 PolarHBondContact O-N 3.28Å; K868-G870 VanDerWaalsContact O-N 3.11Å |
| 869 | V | 56.1 | Low | 67.2 | Low | 97 Ų | 97 | 84.2 Ų | 84.2 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 116.7 | 168.6 | -174.9 | 0 | 0 | 0 | 0 | 106.7 | L875 | V869-L875 HydrophobicContact CG2-CD2 3.89Å |
| 870 | G | 57.6 | Low | 65.4 | Low | 27 Ų | 27 | 88.6 Ų | 88.6 | 28% | 0.278 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 165.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | K868 N872 G873 I874 | K868-G870 PolarHBondContact O-N 3.28Å; K868-G870 VanDerWaalsContact O-N 3.11Å; G870-N872 PolarHBondContact O-N 2.97Å; G870-G873 PolarHBondContact O-N 3.34Å; G870-I874 PolarHBondContact N-O 3.47Å |
| 871 | R | 50.7 | Low | 63.3 | Low | 249 Ų | 249 | 93.1 Ų | 93.1 | 94% | 0.94 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -17.6 | 172.2 | -67.4 | 178.1 | 176.4 | 151.6 | -4.4 | 113.1 | ||
| 872 | N | 51.2 | Low | 60.7 | Low | 134 Ų | 134 | 90.9 Ų | 90.9 | 72% | 0.717 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1 | -176.5 | -44.2 | 14.2 | 0 | 0 | 0 | 113.1 | G870 I874 | G870-N872 PolarHBondContact O-N 2.97Å; N872-I874 HydrophobicContact CB-CD1 4.24Å; N872-I874 HydrophobicContact CB-CG1 4.24Å; N872-I874 PolarHBondContact O-N 3.28Å; N872-I874 VanDerWaalsContact O-N 3.15Å |
| 873 | G | 53.7 | Low | 58.6 | Low | 53 Ų | 53 | 95.1 Ų | 95.1 | 55% | 0.546 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 74.3 | -8.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G870 | G870-G873 PolarHBondContact O-N 3.34Š|
| 874 | I | 60.8 | Low | 56.5 | Low | 84 Ų | 84 | 98.2 Ų | 98.2 | 43% | 0.431 | 54% | 0.537 | S | S | . | . | trans | -69 | 139 | 176.4 | -61.8 | 173.4 | 0 | 0 | 0 | 110 | G870 N872 T876 | G870-I874 PolarHBondContact N-O 3.47Å; N872-I874 HydrophobicContact CB-CD1 4.24Å; N872-I874 HydrophobicContact CB-CG1 4.24Å; N872-I874 PolarHBondContact O-N 3.28Å; N872-I874 VanDerWaalsContact O-N 3.15Å; I874-T876 PolarHBondContact O-N 2.95Å | ||
| 875 | L | 61.3 | Low | 54.2 | Low | 80 Ų | 80 | 103 Ų | 103 | 42% | 0.419 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 101.6 | 174.9 | -58.8 | -170.4 | 0 | 0 | 0 | 109.3 | N831 V867 V869 F877 | N831-L875 PolarHBondContact OD1-O 2.87Å; V867-L875 HydrophobicContact CG1-CB 3.67Å; V867-L875 HydrophobicContact CG1-CD2 3.77Å; V867-L875 HydrophobicContact CG1-CG 4.16Å; V869-L875 HydrophobicContact CG2-CD2 3.89Å; L875-F877 HydrophobicContact CB-CD2 4.48Å; L875-F877 HydrophobicContact CB-CE2 3.81Å; L875-F877 WeakPolarHBondContact O-CD2 3.28Å |
| 876 | T | 67.1 | Low | 52.6 | Low | 52 Ų | 52 | 102.9 Ų | 102.9 | 32% | 0.319 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.3 | 174.2 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | I874 | I874-T876 PolarHBondContact O-N 2.95Å |
| 877 | F | 65.9 | Low | 50.9 | Low | 5 Ų | 5 | 105.8 Ų | 105.8 | 2% | 0.022 | 57% | 0.573 | C | S | . | * | trans | -100.1 | 130 | 171.7 | -63.5 | -109.1 | 0 | 0 | 0 | 108.8 | F830 N831 I834 F859 Y860 K864 V867 L875 | F830-F877 HydrophobicContact CD1-CB 4.29Å; F830-F877 HydrophobicContact CE1-CB 3.95Å; F830-F877 HydrophobicContact CE1-CD1 4.17Å; F830-F877 HydrophobicContact CE1-CD2 4.19Å; F830-F877 AromaticContact CE1-CG 3.87Å; F830-F877 HydrophobicContact CE1-CG 3.87Å; N831-F877 PolarHBondContact ND2-O 3.3Å; N831-F877 WeakPolarHBondContact OD1-CD2 3.48Å; N831-F877 PolarHBondContact OD1-N 3.02Å; I834-F877 HydrophobicContact CG2-CE2 3.89Å; I834-F877 HydrophobicContact CG2-CZ 4.34Å; F859-F877 HydrophobicContact CE1-CB 3.8Å; F859-F877 HydrophobicContact CZ-CB 4.38Å; Y860-F877 HydrophobicContact CD2-CD1 4.45Å; Y860-F877 AromaticContact CD2-CE1 3.54Å; Y860-F877 HydrophobicContact CD2-CE1 3.54Å; Y860-F877 AromaticContact CD2-CZ 3.79Å; Y860-F877 HydrophobicContact CD2-CZ 3.79Å; Y860-F877 AromaticContact CE2-CE1 3.79Å; Y860-F877 HydrophobicContact CE2-CE1 3.79Å; Y860-F877 AromaticContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CE2-CZ 3.7Å; Y860-F877 HydrophobicContact CG-CE1 4.49Å; K864-F877 HydrophobicContact CB-CE1 4.5Å; V867-F877 HydrophobicContact CG2-CD1 3.6Å; V867-F877 HydrophobicContact CG2-CD2 4.12Å; V867-F877 HydrophobicContact CG2-CE1 3.44Å; V867-F877 VanDerWaalsContact CG2-CE1 3.44Å; V867-F877 HydrophobicContact CG2-CE2 3.97Å; V867-F877 HydrophobicContact CG2-CG 3.93Å; V867-F877 HydrophobicContact CG2-CZ 3.63Å; L875-F877 HydrophobicContact CB-CD2 4.48Å; L875-F877 HydrophobicContact CB-CE2 3.81Å; L875-F877 WeakPolarHBondContact O-CD2 3.28Å | ||
| 878 | G | 62.4 | Low | 49.4 | Very low | 16 Ų | 16 | 109.1 Ų | 109.1 | 17% | 0.165 | 60% | 0.598 | C | S | . | * | S | Bend | trans | 93.6 | 173.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 879 | P | 56.5 | Low | 48.1 | Very low | 85 Ų | 85 | 110.4 Ų | 110.4 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -60 | 145.6 | 170 | -19.6 | 32.7 | 0 | 0 | 0 | 110.8 | ||
| 880 | P | 51.6 | Low | 46.9 | Very low | 101 Ų | 101 | 110.1 Ų | 110.1 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 132.4 | 167.1 | 30.7 | -32.5 | 0 | 0 | 0 | 109.1 | ||
| 881 | D | 45.5 | Very low | 45.8 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 146.1 | 177.8 | -56 | -71.8 | 0 | 0 | 0 | 111.5 | ||
| 882 | S | 35.3 | Very low | 45.1 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.2 | -179.9 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | V884 | S882-V884 PolarHBondContact O-N 3.03Š|
| 883 | P | 40 | Very low | 44 | Very low | 131 Ų | 131 | 109 Ų | 109 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -76.5 | 54.7 | -177.5 | 33.7 | -38.2 | 0 | 0 | 0 | 113 | ||
| 884 | V | 33.8 | Very low | 42.8 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | trans | -119.8 | 44.7 | 178.9 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | S882 | S882-V884 PolarHBondContact O-N 3.03Š| ||
| 885 | E | 33.8 | Very low | 41.6 | Very low | 190 Ų | 190 | 118.6 Ų | 118.6 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | trans | -141.3 | 61.1 | 162.6 | -151.1 | 168.2 | -138.1 | 0 | 0 | 110.6 | ||||
| 886 | K | 34.7 | Very low | 39.8 | Very low | 202 Ų | 202 | 120.5 Ų | 120.5 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | trans | -114.3 | 84.7 | 156.4 | -79.4 | -172.9 | 174.7 | -176.5 | 0 | 107.4 | ||||
| 887 | H | 29.5 | Very low | 37.8 | Very low | 184 Ų | 184 | 121.8 Ų | 121.8 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | trans | -70.2 | 136.6 | 166.5 | -134.3 | -88.1 | 0 | 0 | 0 | 109.4 | ||||
| 888 | S | 30.9 | Very low | 36 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -98.3 | 126.9 | -174.2 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 889 | E | 31.2 | Very low | 34.1 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | trans | -126.8 | 109.8 | 163.8 | -68.3 | -166.6 | 148.9 | 0 | 0 | 109.4 | ||||
| 890 | A | 31.8 | Very low | 33 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -162.8 | 61 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 891 | V | 33.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 152.8 | 151.1 | -175.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 892 | V | 35.6 | Very low | 30.8 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | cis | -132.3 | 135.9 | 15 | -118.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 893 | D | 28.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | 71.4 | 112.7 | 81.1 | -171.2 | 37.4 | 0 | 0 | 0 | 117.2 | |||||
| 894 | V | 29.9 | Very low | 29.7 | Very low | 154 Ų | 154 | 140 Ų | 140 | 93% | 0.933 | 74% | 0.739 | S | S | * | * | trans | -146.7 | 145.6 | 140.4 | 175.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 895 | K | 34 | Very low | 29.6 | Very low | 186 Ų | 186 | 141 Ų | 141 | 81% | 0.809 | 74% | 0.74 | S | S | * | * | trans | -134.3 | 118.5 | -157.8 | 173.7 | -175.3 | 179.5 | 178.3 | 0 | 114.3 | ||||
| 896 | S | 24.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -179 | 153.3 | 160.3 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 897 | S | 25.7 | Very low | 29.1 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | cis | -169.9 | 148.3 | -41.4 | -163.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 898 | H | 27.9 | Very low | 29 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | 74.8 | 142.6 | 166.6 | -47.8 | -65.4 | 0 | 0 | 0 | 122.6 | ||||
| 899 | Q | 22.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 56% | 0.556 | 72% | 0.715 | S | S | * | * | trans | -97.6 | -164.2 | 164.8 | -51.6 | -170.2 | 26.2 | 0 | 0 | 110.4 | ||||
| 900 | P | 33.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | cis | -126.9 | -155.1 | -4 | 40.1 | -17.6 | 0 | 0 | 0 | 113.1 | ||||
| 901 | R | 23.4 | Very low | 27.9 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | cis | -146 | -133.1 | 12.6 | -163.5 | -178 | 159.9 | 106.1 | -1.8 | 110.5 | R409 R410 | R409-R901 CarbonylContact C-O 3.4Å; R409-R901 VanDerWaalsContact CB-O 3.27Å; R409-R901 WeakPolarHBondContact CB-O 3.34Å; R409-R901 VanDerWaalsContact CG-C 3.48Å; R409-R901 WeakPolarHBondContact CG-O 3.49Å; R410-R901 CarbonylContact C-O 3.18Å; R410-R901 PolarHBondContact N-O 3.4Å; R410-R901 CarbonylContact O-C 3.57Å; R410-R901 VanDerWaalsContact O-C 3.3Å | ||
| 902 | L | 28 | Very low | 27.4 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 42% | 0.419 | 70% | 0.703 | S | S | . | * | trans | -122.9 | 161 | -170.2 | 64 | 105.7 | 0 | 0 | 0 | 114.2 | R409 R410 S411 | R409-L902 VanDerWaalsContact CB-C 3.4Å; R409-L902 WeakPolarHBondContact CD-O 3.44Å; R410-L902 VanDerWaalsContact C-CA 3.49Å; R410-L902 WeakPolarHBondContact O-CA 3.39Å; R410-L902 WeakPolarHBondContact O-CB 3.48Å; R410-L902 PolarHBondContact O-N 2.95Å; S411-L902 WeakPolarHBondContact O-CB 3.43Å; S411-L902 WeakPolarHBondContact O-CD2 3.38Å | ||
| 903 | E | 26.2 | Very low | 27 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 47% | 0.467 | 70% | 0.703 | S | S | . | * | cis | -170 | -161.5 | -21.7 | -177.9 | 144.2 | -104.6 | 0 | 0 | 108.7 | R410 S411 R412 | R410-E903 WeakPolarHBondContact CA-OE1 3.43Å; S411-E903 WeakPolarHBondContact CA-OE2 3.43Å; S411-E903 PolarHBondContact N-OE1 3.03Å; S411-E903 PolarHBondContact N-OE2 2.95Å; R412-E903 PolarHBondContact N-OE2 3Å | ||
| 904 | E | 26.9 | Very low | 26.7 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | trans | 78 | 155.4 | 160.9 | -75.3 | 169.6 | 169.9 | 0 | 0 | 120.7 | ||||
| 905 | D | 30.4 | Very low | 26.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | cis | -166.1 | 175.3 | -15.7 | -173 | 25.5 | 0 | 0 | 0 | 112.3 | ||||
| 906 | E | 28.6 | Very low | 26 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | trans | 69.4 | 155.6 | 170.2 | -68 | -150 | 106.2 | 0 | 0 | 119.3 | ||||
| 907 | K | 28.7 | Very low | 26.1 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | cis | -150.8 | -176.1 | 14.7 | -142.5 | 164.8 | -175.5 | 74.1 | 0 | 114.2 | ||||
| 908 | K | 28.1 | Very low | 26.2 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | trans | -80.1 | 159.8 | -165.9 | -75.1 | 156 | 153.9 | -88.9 | 0 | 118.9 | ||||
| 909 | E | 22.9 | Very low | 26.1 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | trans | 36.1 | 148.1 | 132.9 | -49.9 | 168.8 | 98.7 | 0 | 0 | 120.1 | ||||
| 910 | A | 24.5 | Very low | 26.3 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | cis | -169.9 | 161 | 30.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 911 | S | 22.9 | Very low | 26.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | trans | 68.2 | 165.8 | 150.5 | 84.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 912 | F | 23.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | cis | -159.1 | 153.8 | -5.3 | -157.4 | -165.8 | 0 | 0 | 0 | 111.1 | ||||
| 913 | Y | 27.1 | Very low | 26.4 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | 54 | 172.1 | 173.2 | -70.6 | -59.7 | 0 | 0 | 0 | 117.9 | ||||
| 914 | D | 22.8 | Very low | 26.6 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | cis | 163.6 | 165.6 | -43.9 | -171.6 | 22.6 | 0 | 0 | 0 | 108.6 | ||||
| 915 | D | 23.2 | Very low | 26.7 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 66.6 | 94.3 | 167.9 | -148.2 | 45.1 | 0 | 0 | 0 | 120.9 | ||||
| 916 | S | 25.9 | Very low | 26.9 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | 62 | 152 | 119.8 | -52.4 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 917 | H | 27.3 | Very low | 27.2 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | trans | 71.7 | 94 | 156.6 | -76.2 | -67.2 | 0 | 0 | 0 | 121.9 | ||||
| 918 | E | 26.6 | Very low | 27.3 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | 57.2 | 151.1 | 108.1 | -113.7 | -66.9 | 84.3 | 0 | 0 | 122.9 | |||||
| 919 | T | 27 | Very low | 27.6 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | 81.2 | 75.3 | 154.7 | -38 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 920 | N | 25.5 | Very low | 27.9 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | 76 | 139.1 | 115.7 | -143.6 | -28.9 | 0 | 0 | 0 | 122.3 | |||||
| 921 | Q | 28.8 | Very low | 28.2 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | trans | 75.7 | 96.6 | 144.5 | -114.2 | 169.7 | 94.1 | 0 | 0 | 122.6 | ||||
| 922 | K | 27.9 | Very low | 28.5 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | 167 | 128.7 | 112.5 | -85 | 146.6 | -165.3 | 159.1 | 0 | 108.8 | |||||
| 923 | A | 29.8 | Very low | 28.6 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | cis | 70.1 | 105.6 | 34.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 924 | R | 30 | Very low | 28.9 | Very low | 235 Ų | 235 | 138.3 Ų | 138.3 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | -177.4 | 129.3 | 115.5 | -96.4 | -174 | 176.5 | -168.4 | -2 | 110.7 | |||||
| 925 | V | 30.7 | Very low | 29.2 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 67% | 0.673 | 71% | 0.713 | S | S | * | * | 72.8 | 120.9 | 78.1 | 170.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 926 | T | 33.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | -173.4 | 149.3 | 118.7 | 35.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 927 | Q | 33.8 | Very low | 29.3 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | cis | -171.6 | 163.8 | -25.8 | -151 | -179.6 | -19.3 | 0 | 0 | 111.5 | ||||
| 928 | S | 32.2 | Very low | 29.4 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | trans | 88.1 | 140.2 | 143.8 | -59.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 929 | L | 33.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -156.5 | -169.7 | -12.7 | -106.2 | 172 | 0 | 0 | 0 | 106.5 | ||||
| 930 | Q | 29.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | cis | -154.6 | 133.5 | 9.5 | -135.7 | 129.1 | -18.8 | 0 | 0 | 105.4 | ||||
| 931 | A | 29.9 | Very low | 29.6 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | 78.5 | 136.6 | 67.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 932 | H | 29 | Very low | 29.7 | Very low | 167 Ų | 167 | 140 Ų | 140 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | -160.5 | -179.4 | -4 | -120.8 | -44.1 | 0 | 0 | 0 | 113.3 | ||||
| 933 | D | 26.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -80.8 | -171.7 | -171.8 | -41 | -99.7 | 0 | 0 | 0 | 114.1 | V935 | D933-V935 HydrophobicContact CB-CG2 4.45Š| ||
| 934 | Y | 32.5 | Very low | 29.3 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | -153.1 | 140.2 | 57.2 | -97.6 | -112.2 | 0 | 0 | 0 | 109.7 | |||||
| 935 | V | 29.1 | Very low | 29.9 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | 85 | 141.5 | 62.7 | 167.7 | 0 | 0 | 0 | 0 | 114.6 | D933 | D933-V935 HydrophobicContact CB-CG2 4.45Š| |||
| 936 | T | 25.4 | Very low | 29.6 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | trans | -134.2 | 140.8 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 937 | G | 27.7 | Very low | 29.3 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 139.9 | 125.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 938 | T | 29.4 | Very low | 28.8 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -116.9 | 140.3 | -179.7 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 939 | V | 25.1 | Very low | 28.5 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 92% | 0.915 | 78% | 0.776 | S | S | * | * | trans | -138.2 | 152.7 | 158.5 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 940 | L | 30.5 | Very low | 28.1 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 156.7 | -168.8 | -61.1 | 157.6 | 0 | 0 | 0 | 114 | ||||
| 941 | V | 27.1 | Very low | 27.9 | Very low | 145 Ų | 145 | 142 Ų | 142 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | -165 | 161.1 | 124.6 | 137.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 942 | I | 30.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -92 | 143.3 | -163 | -63.5 | 150.8 | 0 | 0 | 0 | 112.7 | ||||
| 943 | K | 25.8 | Very low | 27.9 | Very low | 203 Ų | 203 | 141.5 Ų | 141.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | 176.2 | 143.1 | 120.3 | -164.2 | 158.2 | -179.1 | -177.9 | 0 | 114.3 | |||||
| 944 | E | 24.1 | Very low | 27.9 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -101.4 | -177.7 | 175.3 | -115.3 | -161.5 | 150.9 | 0 | 0 | 111.3 | ||||
| 945 | P | 43 | Very low | 27.5 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 58% | 0.584 | 79% | 0.791 | S | S | * | * | cis | -137.5 | -168.4 | 9.9 | 40 | -19.2 | 0 | 0 | 0 | 116.6 | ||||
| 946 | D | 24.3 | Very low | 27.4 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 73.3 | 149.7 | 151 | -68.3 | -27.4 | 0 | 0 | 0 | 121.4 | ||||
| 947 | A | 26.4 | Very low | 27.4 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | cis | -169.4 | 147.1 | -21.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 948 | M | 24.2 | Very low | 27.8 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | 57.6 | 132.4 | 165.5 | -80.5 | 56 | 173.4 | 0 | 0 | 118.7 | ||||
| 949 | G | 25.1 | Very low | 27.7 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -156.1 | -135.5 | 3.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 950 | R | 26.2 | Very low | 27.8 | Very low | 225 Ų | 225 | 142.1 Ų | 142.1 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | cis | -157.8 | -149.6 | -1.2 | -114.6 | -70.4 | 174.7 | 175.3 | -1.5 | 108.7 | ||||
| 951 | E | 25.1 | Very low | 27.6 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -107.3 | 172.9 | -171 | -70.4 | 148.9 | 132.5 | 0 | 0 | 113.7 | ||||
| 952 | A | 27.2 | Very low | 27.5 | Very low | 75 Ų | 75 | 143.5 Ų | 143.5 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | cis | -172.5 | 158.6 | -24.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 953 | H | 30.7 | Very low | 27.4 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | -168.5 | 146.9 | 61.1 | -98.1 | -103.2 | 0 | 0 | 0 | 112.3 | |||||
| 954 | Q | 26.8 | Very low | 27.4 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 31.4 | 144.3 | 132.2 | -61.1 | 162 | -10 | 0 | 0 | 121 | ||||
| 955 | S | 25.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | cis | -149.5 | 174.6 | 14.9 | 65.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 956 | S | 25.8 | Very low | 27.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | -146.5 | -174.5 | 25.4 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 957 | V | 26.1 | Very low | 27.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | trans | -150.9 | 149 | -154.9 | 168 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 958 | P | 35.6 | Very low | 27.8 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -127.5 | 151.8 | 43.1 | 18.6 | 7.3 | 0 | 0 | 0 | 116.7 | ||||
| 959 | H | 28.3 | Very low | 28.2 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 59% | 0.593 | 77% | 0.765 | S | S | * | * | 73 | 141.2 | 57.3 | -75.7 | 0.5 | 0 | 0 | 0 | 114.7 | |||||
| 960 | R | 25.3 | Very low | 28.8 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -166.9 | 173 | -3.6 | -108.7 | 179.2 | -154 | -154.9 | 11.2 | 106.7 | ||||
| 961 | S | 27.6 | Very low | 29.1 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -167.3 | 128.3 | -9.2 | 39.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 962 | R | 24.3 | Very low | 29.8 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | 68.6 | 128.4 | 87.5 | 180 | 173.2 | 179.7 | 170.8 | 2.8 | 117 | |||||
| 963 | A | 27.5 | Very low | 30.7 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | trans | 74.5 | 107.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 964 | E | 27.7 | Very low | 31 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | 42.5 | 118.8 | 109.2 | -170.4 | 176.2 | -165.5 | 0 | 0 | 121.5 | |||||
| 965 | A | 29.1 | Very low | 31.5 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | -178.3 | 133.1 | 126.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 966 | A | 30.5 | Very low | 32.5 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 53 | 147.8 | 148 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 967 | A | 29.4 | Very low | 33.3 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 87.4 | 91.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 968 | K | 36.7 | Very low | 33.9 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 64.3 | 126.2 | 129.1 | -66.9 | -180 | 178.1 | 175.8 | 0 | 122.2 | |||||
| 969 | K | 32.7 | Very low | 34.4 | Very low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 75.8 | 159.6 | 159.5 | -61.1 | 178.3 | 178.9 | -178 | 0 | 117 | ||||
| 970 | P | 36.7 | Very low | 35.7 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | cis | -123.8 | -178.2 | -15.4 | 34.1 | -15.7 | 0 | 0 | 0 | 114.5 | ||||
| 971 | K | 33.8 | Very low | 37.2 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 138.2 | 173.9 | 179.1 | -178.3 | -179.9 | 179.4 | 0 | 112.1 | ||
| 972 | P | 39.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 154 | 174.2 | 30.2 | -34.8 | 0 | 0 | 0 | 112.6 | ||
| 973 | P | 44.8 | Very low | 41.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 160.2 | -172.9 | 31.1 | -36.4 | 0 | 0 | 0 | 114 | ||
| 974 | P | 38.4 | Very low | 44.7 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.2 | 169.9 | 29.7 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 975 | K | 37.4 | Very low | 47.6 | Very low | 195 Ų | 195 | 123.6 Ų | 123.6 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 149.1 | 176.7 | -66.3 | -176.6 | 178.6 | -176.9 | 0 | 111.2 | ||
| 976 | P | 45.2 | Very low | 50.5 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 167 | 172.3 | 29.8 | -36.1 | 0 | 0 | 0 | 112 | ||
| 977 | P | 42.7 | Very low | 53.1 | Low | 132 Ų | 132 | 123.4 Ų | 123.4 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140 | 178.1 | -24.2 | 34.8 | 0 | 0 | 0 | 112.7 | ||
| 978 | Q | 40 | Very low | 55.8 | Low | 144 Ų | 144 | 124.5 Ų | 124.5 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 144.7 | 177.4 | -71.5 | 173.3 | -76.2 | 0 | 0 | 111.7 | E982 | Q978-E982 PolarHBondContact NE2-OE1 3.35Å; Q978-E982 PolarHBondContact NE2-OE2 3.09Å |
| 979 | D | 44.5 | Very low | 58.2 | Low | 131 Ų | 131 | 117.9 Ų | 117.9 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143.7 | 170.8 | -104.1 | -69.6 | 0 | 0 | 0 | 112.3 | N981 | D979-N981 PolarHBondContact O-N 3.38Š|
| 980 | P | 56.3 | Low | 60.8 | Low | 122 Ų | 122 | 110.7 Ų | 110.7 | 79% | 0.792 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 7.3 | 179.7 | 29.8 | -35.7 | 0 | 0 | 0 | 114.8 | ||
| 981 | N | 57 | Low | 63.2 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 40.6 | -175.2 | -85.1 | -34.2 | 0 | 0 | 0 | 113.4 | D979 V983 | D979-N981 PolarHBondContact O-N 3.38Å; N981-V983 WeakPolarHBondContact O-CG2 3.47Å; N981-V983 PolarHBondContact O-N 3.42Å |
| 982 | E | 68.6 | Low | 65.9 | Low | 86 Ų | 86 | 107.2 Ų | 107.2 | 40% | 0.402 | 59% | 0.592 | S | S | . | * | trans | -70.2 | 117.6 | 166.1 | -72.3 | -157 | 156.4 | 0 | 0 | 111.7 | Q978 F984 | Q978-E982 PolarHBondContact NE2-OE1 3.35Å; Q978-E982 PolarHBondContact NE2-OE2 3.09Å; E982-F984 HydrophobicContact CB-CE1 4.05Å; E982-F984 HydrophobicContact CB-CE2 3.77Å; E982-F984 HydrophobicContact CB-CZ 3.4Å; E982-F984 VanDerWaalsContact CB-CZ 3.4Å; E982-F984 HydrophobicContact CG-CZ 4.41Å; E982-F984 WeakPolarHBondContact O-CD2 3.35Å; E982-F984 WeakPolarHBondContact O-CE2 3.49Å; E982-F984 VanDerWaalsContact OE2-CZ 3.29Å; E982-F984 WeakPolarHBondContact OE2-CZ 3.44Å | ||
| 983 | V | 82.1 | Confident | 68.2 | Low | 79 Ų | 79 | 104 Ų | 104 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | trans | -102.5 | 115.1 | -173.4 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | N981 P985 V992 | N981-V983 WeakPolarHBondContact O-CG2 3.47Å; N981-V983 PolarHBondContact O-N 3.42Å; V983-P985 WeakPolarHBondContact O-CD 3.49Å; V983-V992 HydrophobicContact CG1-CB 4.46Å; V983-V992 HydrophobicContact CG1-CG1 3.3Å; V983-V992 HydrophobicContact CG1-CG2 4.38Å | ||
| 984 | F | 85.2 | Confident | 70.2 | Confident | 48 Ų | 48 | 104.9 Ų | 104.9 | 21% | 0.211 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 98.8 | -172.2 | -51.3 | -80.6 | 0 | 0 | 0 | 112.8 | E982 F993 V996 R999 | E982-F984 HydrophobicContact CB-CE1 4.05Å; E982-F984 HydrophobicContact CB-CE2 3.77Å; E982-F984 HydrophobicContact CB-CZ 3.4Å; E982-F984 VanDerWaalsContact CB-CZ 3.4Å; E982-F984 HydrophobicContact CG-CZ 4.41Å; E982-F984 WeakPolarHBondContact O-CD2 3.35Å; E982-F984 WeakPolarHBondContact O-CE2 3.49Å; E982-F984 VanDerWaalsContact OE2-CZ 3.29Å; E982-F984 WeakPolarHBondContact OE2-CZ 3.44Å; F984-F993 WeakPolarHBondContact CA-O 3.32Å; F984-F993 WeakPolarHBondContact CB-O 3.38Å; F984-F993 WeakPolarHBondContact CD2-O 3.4Å; F984-F993 PolarHBondContact N-O 3.45Å; F984-F993 PolarHBondContact O-N 3.05Å; F984-V996 HydrophobicContact CD1-CG2 3.95Å; F984-V996 HydrophobicContact CD2-CG2 4Å; F984-V996 HydrophobicContact CE1-CG2 3.58Å; F984-V996 HydrophobicContact CE2-CG2 3.65Å; F984-V996 HydrophobicContact CG-CG2 4.14Å; F984-V996 HydrophobicContact CZ-CG2 3.41Å; F984-V996 VanDerWaalsContact CZ-CG2 3.41Å; F984-R999 HydrophobicContact CB-CB 4.45Å; F984-R999 VanDerWaalsContact CB-CD 3.5Å |
| 985 | P | 89.4 | Confident | 72.6 | Confident | 69 Ų | 69 | 106.2 Ų | 106.2 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.5 | 179.9 | 30.6 | -35.5 | 0 | 0 | 0 | 114.1 | V983 V992 R999 | V983-P985 WeakPolarHBondContact O-CD 3.49Å; P985-V992 HydrophobicContact CB-CG2 4.29Å; P985-R999 PolarHBondContact O-NE 3.32Å; P985-R999 PolarHBondContact O-NH2 3.2Å |
| 986 | C | 89.8 | Confident | 75 | Confident | 4 Ų | 4 | 100.6 Ų | 100.6 | 3% | 0.027 | 54% | 0.536 | C | S | . | . | trans | -75 | 125.7 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | K988 G990 R991 F993 H1002 | C986-K988 VanDerWaalsContact C-N 3.26Å; C986-K988 PolarHBondContact O-N 3.41Å; C986-G990 WeakPolarHBondContact O-CA 3.49Å; C986-G990 PolarHBondContact O-N 3.34Å; C986-R991 WeakPolarHBondContact CB-O 3.31Å; C986-R991 PolarHBondContact N-O 3.4Å; C986-F993 HydrophobicContact CB-CE2 4.21Å; C986-H1002 VanDerWaalsContact SG-CD2 3.51Å; C986-H1002 PolarHBondContact SG-NE2 2.97Å | ||
| 987 | K | 85.6 | Confident | 77 | Confident | 191 Ų | 191 | 104.2 Ų | 104.2 | 83% | 0.83 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -12.8 | -179 | -70 | -170.2 | 174.9 | -170.2 | 0 | 114.8 | ||
| 988 | K | 84.9 | Confident | 79.1 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -15.7 | -177.8 | -73.8 | -97 | -176.9 | 163.5 | 0 | 114.3 | C986 M1003 H1006 E1010 | C986-K988 VanDerWaalsContact C-N 3.26Å; C986-K988 PolarHBondContact O-N 3.41Å; K988-M1003 HydrophobicContact CB-CE 4.01Å; K988-M1003 HydrophobicContact CG-CE 3.67Å; K988-H1006 HydrophobicContact CB-CB 4.35Å; K988-H1006 HydrophobicContact CG-CB 4.43Å; K988-E1010 IonicContact NZ-OE1 2.6Å; K988-E1010 PolarHBondContact NZ-OE1 3.43Å; K988-E1010 IonicContact NZ-OE2 3.17Å; K988-E1010 PolarHBondContact NZ-OE2 3.02Å |
| 989 | C | 88.5 | Confident | 81.6 | Confident | 57 Ų | 57 | 96.2 Ų | 96.2 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.7 | 16.8 | 176.9 | 71.2 | 0 | 0 | 0 | 0 | 115.4 | R991 H1002 H1006 | C989-R991 PolarHBondContact O-N 3.02Å; C989-H1002 PolarHBondContact SG-CE1 3.2Å; C989-H1002 PolarHBondContact SG-NE2 3.44Å; C989-H1006 PolarHBondContact SG-NE2 3.4Å |
| 990 | G | 86 | Confident | 83.6 | Confident | 52 Ų | 52 | 92.9 Ų | 92.9 | 54% | 0.536 | 48% | 0.482 | S | S | . | . | trans | 71.8 | -20.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | C986 V992 | C986-G990 WeakPolarHBondContact O-CA 3.49Å; C986-G990 PolarHBondContact O-N 3.34Å; G990-V992 PolarHBondContact O-N 3.41Å | ||
| 991 | R | 88.8 | Confident | 85.3 | Confident | 166 Ų | 166 | 90 Ų | 90 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | trans | -50.2 | 129.7 | -174.8 | -72.3 | -177.4 | -176.5 | -178 | 2.2 | 112.9 | C986 C989 F993 | C986-R991 WeakPolarHBondContact CB-O 3.31Å; C986-R991 PolarHBondContact N-O 3.4Å; C989-R991 PolarHBondContact O-N 3.02Å; R991-F993 HydrophobicContact CB-CE2 3.75Å; R991-F993 HydrophobicContact CB-CZ 4.07Å; R991-F993 VanDerWaalsContact O-CD2 3.3Å; R991-F993 WeakPolarHBondContact O-CD2 3.42Å; R991-F993 VanDerWaalsContact O-CE2 3.22Å; R991-F993 WeakPolarHBondContact O-CE2 3.41Å | ||
| 992 | V | 89.6 | Confident | 86.9 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 48% | 0.479 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.5 | -174.8 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | V983 P985 G990 | V983-V992 HydrophobicContact CG1-CB 4.46Å; V983-V992 HydrophobicContact CG1-CG1 3.3Å; V983-V992 HydrophobicContact CG1-CG2 4.38Å; P985-V992 HydrophobicContact CB-CG2 4.29Å; G990-V992 PolarHBondContact O-N 3.41Å |
| 993 | F | 88.1 | Confident | 88 | Confident | 40 Ų | 40 | 83.6 Ų | 83.6 | 18% | 0.175 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.9 | 178.4 | -60.3 | -92.1 | 0 | 0 | 0 | 110.8 | F984 C986 R991 K995 R999 H1002 | F984-F993 WeakPolarHBondContact CA-O 3.32Å; F984-F993 WeakPolarHBondContact CB-O 3.38Å; F984-F993 WeakPolarHBondContact CD2-O 3.4Å; F984-F993 PolarHBondContact N-O 3.45Å; F984-F993 PolarHBondContact O-N 3.05Å; C986-F993 HydrophobicContact CB-CE2 4.21Å; R991-F993 HydrophobicContact CB-CE2 3.75Å; R991-F993 HydrophobicContact CB-CZ 4.07Å; R991-F993 VanDerWaalsContact O-CD2 3.3Å; R991-F993 WeakPolarHBondContact O-CD2 3.42Å; R991-F993 VanDerWaalsContact O-CE2 3.22Å; R991-F993 WeakPolarHBondContact O-CE2 3.41Å; F993-K995 PolarHBondContact O-N 2.93Å; F993-R999 HydrophobicContact CB-CB 3.96Å; F993-R999 HydrophobicContact CD2-CB 3.91Å; F993-R999 HydrophobicContact CD2-CG 4.22Å; F993-R999 HydrophobicContact CG-CB 4.02Å; F993-H1002 HydrophobicContact CE1-CB 4.06Å; F993-H1002 HydrophobicContact CE2-CB 4.16Å; F993-H1002 AromaticContact CE2-CD2 3.25Å; F993-H1002 WeakPolarHBondContact CE2-CD2 3.49Å; F993-H1002 AromaticContact CE2-CG 3.84Å; F993-H1002 HydrophobicContact CZ-CB 3.57Å; F993-H1002 AromaticContact CZ-CD2 3.31Å; F993-H1002 WeakPolarHBondContact CZ-CD2 3.37Å; F993-H1002 AromaticContact CZ-CG 3.4Å |
| 994 | H | 86.8 | Confident | 88.5 | Confident | 134 Ų | 134 | 87.2 Ų | 87.2 | 62% | 0.62 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -80 | 7.4 | 177.3 | -53.7 | 102.4 | 0 | 0 | 0 | 114 | ||
| 995 | K | 88.7 | Confident | 88.6 | Confident | 154 Ų | 154 | 87.7 Ų | 87.7 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -146.1 | 129.9 | 178.1 | -62.5 | -172.7 | -179.8 | -177.8 | 0 | 110.1 | F993 K997 S998 R999 | F993-K995 PolarHBondContact O-N 2.93Å; K995-K997 PolarHBondContact O-N 3.41Å; K995-K997 VanDerWaalsContact O-N 3.17Å; K995-S998 PolarHBondContact O-N 3Å; K995-S998 PolarHBondContact O-OG 3.32Å; K995-R999 PolarHBondContact O-N 3.06Å |
| 996 | V | 87.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 86 Ų | 86 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53.5 | -39.6 | 178.5 | -176 | 0 | 0 | 0 | 0 | 111.8 | F984 S998 R999 S1000 | F984-V996 HydrophobicContact CD1-CG2 3.95Å; F984-V996 HydrophobicContact CD2-CG2 4Å; F984-V996 HydrophobicContact CE1-CG2 3.58Å; F984-V996 HydrophobicContact CE2-CG2 3.65Å; F984-V996 HydrophobicContact CG-CG2 4.14Å; F984-V996 HydrophobicContact CZ-CG2 3.41Å; F984-V996 VanDerWaalsContact CZ-CG2 3.41Å; V996-S998 PolarHBondContact O-N 3.03Å; V996-R999 WeakPolarHBondContact O-CB 3.49Å; V996-R999 PolarHBondContact O-N 3.45Å; V996-S1000 WeakPolarHBondContact O-CB 3.32Å; V996-S1000 PolarHBondContact O-N 3.4Å; V996-S1000 PolarHBondContact O-OG 2.81Å; V996-S1000 VanDerWaalsContact O-OG 3.12Å |
| 997 | K | 86.8 | Confident | 88.6 | Confident | 187 Ų | 187 | 88.7 Ų | 88.7 | 81% | 0.813 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | -177.1 | -162.8 | 170.4 | -176.9 | 175.6 | 0 | 113.4 | K995 A1001 | K995-K997 PolarHBondContact O-N 3.41Å; K995-K997 VanDerWaalsContact O-N 3.17Å; K997-A1001 WeakPolarHBondContact O-CB 3.45Å; K997-A1001 PolarHBondContact O-N 2.95Å |
| 998 | S | 87.9 | Confident | 88.7 | Confident | 52 Ų | 52 | 84.3 Ų | 84.3 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -76.7 | -36.9 | 176.9 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | K995 V996 S1000 A1001 H1002 | K995-S998 PolarHBondContact O-N 3Å; K995-S998 PolarHBondContact O-OG 3.32Å; V996-S998 PolarHBondContact O-N 3.03Å; S998-S1000 VanDerWaalsContact C-N 3.34Å; S998-S1000 PolarHBondContact O-N 3.33Å; S998-A1001 PolarHBondContact O-N 3.39Å; S998-H1002 WeakPolarHBondContact O-CB 3.39Å; S998-H1002 PolarHBondContact O-N 3.09Å |
| 999 | R | 90.7 | Very high | 88.8 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 21% | 0.208 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 168.5 | -179.6 | 179.6 | -179.8 | -80 | -0.5 | 112 | F984 P985 F993 K995 V996 H1002 M1003 | F984-R999 HydrophobicContact CB-CB 4.45Å; F984-R999 VanDerWaalsContact CB-CD 3.5Å; P985-R999 PolarHBondContact O-NE 3.32Å; P985-R999 PolarHBondContact O-NH2 3.2Å; F993-R999 HydrophobicContact CB-CB 3.96Å; F993-R999 HydrophobicContact CD2-CB 3.91Å; F993-R999 HydrophobicContact CD2-CG 4.22Å; F993-R999 HydrophobicContact CG-CB 4.02Å; K995-R999 PolarHBondContact O-N 3.06Å; V996-R999 WeakPolarHBondContact O-CB 3.49Å; V996-R999 PolarHBondContact O-N 3.45Å; R999-H1002 PolarHBondContact O-N 3.08Å; R999-M1003 HydrophobicContact CG-CG 4.29Å; R999-M1003 WeakPolarHBondContact O-CB 3.41Å; R999-M1003 VanDerWaalsContact O-CG 3.23Å; R999-M1003 WeakPolarHBondContact O-CG 3.47Å; R999-M1003 PolarHBondContact O-N 3.31Å |
| 1000 | S | 88.3 | Confident | 88.8 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | -179 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | V996 S998 M1003 K1004 | V996-S1000 WeakPolarHBondContact O-CB 3.32Å; V996-S1000 PolarHBondContact O-N 3.4Å; V996-S1000 PolarHBondContact O-OG 2.81Å; V996-S1000 VanDerWaalsContact O-OG 3.12Å; S998-S1000 VanDerWaalsContact C-N 3.34Å; S998-S1000 PolarHBondContact O-N 3.33Å; S1000-M1003 PolarHBondContact O-N 2.96Å; S1000-K1004 PolarHBondContact O-N 3.25Å |
| 1001 | A | 90.6 | Very high | 88.9 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K997 S998 K1004 S1005 | K997-A1001 WeakPolarHBondContact O-CB 3.45Å; K997-A1001 PolarHBondContact O-N 2.95Å; S998-A1001 PolarHBondContact O-N 3.39Å; A1001-K1004 WeakPolarHBondContact O-CB 3.42Å; A1001-K1004 PolarHBondContact O-N 3.02Å; A1001-S1005 PolarHBondContact O-N 3.05Å; A1001-S1005 PolarHBondContact O-OG 3.44Å |
| 1002 | H | 91.8 | Very high | 89 | Confident | 28 Ų | 28 | 90.9 Ų | 90.9 | 13% | 0.13 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 177.2 | 165.1 | 61.2 | 0 | 0 | 0 | 113.4 | C986 C989 F993 S998 R999 K1004 S1005 H1006 | C986-H1002 VanDerWaalsContact SG-CD2 3.51Å; C986-H1002 PolarHBondContact SG-NE2 2.97Å; C989-H1002 PolarHBondContact SG-CE1 3.2Å; C989-H1002 PolarHBondContact SG-NE2 3.44Å; F993-H1002 HydrophobicContact CE1-CB 4.06Å; F993-H1002 HydrophobicContact CE2-CB 4.16Å; F993-H1002 AromaticContact CE2-CD2 3.25Å; F993-H1002 WeakPolarHBondContact CE2-CD2 3.49Å; F993-H1002 AromaticContact CE2-CG 3.84Å; F993-H1002 HydrophobicContact CZ-CB 3.57Å; F993-H1002 AromaticContact CZ-CD2 3.31Å; F993-H1002 WeakPolarHBondContact CZ-CD2 3.37Å; F993-H1002 AromaticContact CZ-CG 3.4Å; S998-H1002 WeakPolarHBondContact O-CB 3.39Å; S998-H1002 PolarHBondContact O-N 3.09Å; R999-H1002 PolarHBondContact O-N 3.08Å; H1002-K1004 VanDerWaalsContact C-N 3.25Å; H1002-K1004 PolarHBondContact O-N 3.44Å; H1002-S1005 WeakPolarHBondContact O-CB 3.45Å; H1002-S1005 PolarHBondContact O-N 3.27Å; H1002-S1005 VanDerWaalsContact O-N 3.12Å; H1002-H1006 AromaticContact CE1-CD2 3.62Å; H1002-H1006 AromaticContact CE1-NE2 3.24Å; H1002-H1006 PolarHBondContact CE1-NE2 3.03Å; H1002-H1006 AromaticContact NE2-CD2 3.7Å; H1002-H1006 AromaticContact NE2-NE2 3.39Å; H1002-H1006 PolarHBondContact NE2-NE2 3.44Å; H1002-H1006 PolarHBondContact O-N 3.46Å |
| 1003 | M | 92.1 | Very high | 88.9 | Confident | 48 Ų | 48 | 89.7 Ų | 89.7 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.6 | -33 | 172.5 | -72.8 | -109.3 | 55.1 | 0 | 0 | 111.9 | K988 R999 S1000 S1005 H1006 A1007 | K988-M1003 HydrophobicContact CB-CE 4.01Å; K988-M1003 HydrophobicContact CG-CE 3.67Å; R999-M1003 HydrophobicContact CG-CG 4.29Å; R999-M1003 WeakPolarHBondContact O-CB 3.41Å; R999-M1003 VanDerWaalsContact O-CG 3.23Å; R999-M1003 WeakPolarHBondContact O-CG 3.47Å; R999-M1003 PolarHBondContact O-N 3.31Å; S1000-M1003 PolarHBondContact O-N 2.96Å; M1003-S1005 VanDerWaalsContact C-N 3.34Å; M1003-H1006 PolarHBondContact O-N 3.43Å; M1003-A1007 PolarHBondContact O-N 3.04Å |
| 1004 | K | 90.9 | Very high | 88.8 | Confident | 155 Ų | 155 | 90.3 Ų | 90.3 | 67% | 0.674 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.3 | -36.5 | 172.3 | -168.5 | 179.1 | 179.1 | -178.5 | 0 | 112.1 | S1000 A1001 H1002 H1006 A1007 E1008 | S1000-K1004 PolarHBondContact O-N 3.25Å; A1001-K1004 WeakPolarHBondContact O-CB 3.42Å; A1001-K1004 PolarHBondContact O-N 3.02Å; H1002-K1004 VanDerWaalsContact C-N 3.25Å; H1002-K1004 PolarHBondContact O-N 3.44Å; K1004-H1006 VanDerWaalsContact C-N 3.33Å; K1004-H1006 PolarHBondContact O-N 3.1Å; K1004-A1007 PolarHBondContact O-N 3.44Å; K1004-E1008 PolarHBondContact O-N 3.32Å |
| 1005 | S | 88.9 | Confident | 88.9 | Confident | 58 Ų | 58 | 86.6 Ų | 86.6 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 174.7 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | A1001 H1002 M1003 E1008 Q1009 | A1001-S1005 PolarHBondContact O-N 3.05Å; A1001-S1005 PolarHBondContact O-OG 3.44Å; H1002-S1005 WeakPolarHBondContact O-CB 3.45Å; H1002-S1005 PolarHBondContact O-N 3.27Å; H1002-S1005 VanDerWaalsContact O-N 3.12Å; M1003-S1005 VanDerWaalsContact C-N 3.34Å; S1005-E1008 PolarHBondContact O-N 3.5Å; S1005-Q1009 WeakPolarHBondContact O-CG 3.42Å; S1005-Q1009 PolarHBondContact O-N 3.49Å |
| 1006 | H | 89.8 | Confident | 88.9 | Confident | 34 Ų | 34 | 85 Ų | 85 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 173.7 | -79.4 | -65.6 | 0 | 0 | 0 | 111.9 | K988 C989 H1002 M1003 K1004 E1008 Q1009 E1010 | K988-H1006 HydrophobicContact CB-CB 4.35Å; K988-H1006 HydrophobicContact CG-CB 4.43Å; C989-H1006 PolarHBondContact SG-NE2 3.4Å; H1002-H1006 AromaticContact CE1-CD2 3.62Å; H1002-H1006 AromaticContact CE1-NE2 3.24Å; H1002-H1006 PolarHBondContact CE1-NE2 3.03Å; H1002-H1006 AromaticContact NE2-CD2 3.7Å; H1002-H1006 AromaticContact NE2-NE2 3.39Å; H1002-H1006 PolarHBondContact NE2-NE2 3.44Å; H1002-H1006 PolarHBondContact O-N 3.46Å; M1003-H1006 PolarHBondContact O-N 3.43Å; K1004-H1006 VanDerWaalsContact C-N 3.33Å; K1004-H1006 PolarHBondContact O-N 3.1Å; H1006-E1008 VanDerWaalsContact C-N 3.26Å; H1006-E1008 PolarHBondContact O-N 2.97Å; H1006-Q1009 PolarHBondContact O-N 3.19Å; H1006-E1010 WeakPolarHBondContact O-CB 3.45Å; H1006-E1010 PolarHBondContact O-N 2.97Å |
| 1007 | A | 89.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 49% | 0.488 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1003 K1004 K1011 | M1003-A1007 PolarHBondContact O-N 3.04Å; K1004-A1007 PolarHBondContact O-N 3.44Å; A1007-K1011 WeakPolarHBondContact O-CB 3.43Å; A1007-K1011 PolarHBondContact O-N 3.36Å |
| 1008 | E | 87.4 | Confident | 88.9 | Confident | 100 Ų | 100 | 86.5 Ų | 86.5 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 175 | -162.4 | -168.3 | 127.5 | 0 | 0 | 112.6 | K1004 S1005 H1006 K1011 K1012 | K1004-E1008 PolarHBondContact O-N 3.32Å; S1005-E1008 PolarHBondContact O-N 3.5Å; H1006-E1008 VanDerWaalsContact C-N 3.26Å; H1006-E1008 PolarHBondContact O-N 2.97Å; E1008-K1011 PolarHBondContact O-N 3.35Å; E1008-K1012 HydrophobicContact CG-CD 4.48Å; E1008-K1012 WeakPolarHBondContact O-CB 3.47Å; E1008-K1012 WeakPolarHBondContact O-CG 3.45Å; E1008-K1012 PolarHBondContact O-N 3.04Å; E1008-K1012 WeakPolarHBondContact OE1-CE 3.43Å; E1008-K1012 IonicContact OE1-NZ 3.45Å; E1008-K1012 PolarHBondContact OE1-NZ 3.33Å |
| 1009 | Q | 85.8 | Confident | 89 | Confident | 126 Ų | 126 | 90 Ų | 90 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 173.6 | -74.2 | 176.5 | -32.4 | 0 | 0 | 111.7 | S1005 H1006 K1011 K1012 A1013 | S1005-Q1009 WeakPolarHBondContact O-CG 3.42Å; S1005-Q1009 PolarHBondContact O-N 3.49Å; H1006-Q1009 PolarHBondContact O-N 3.19Å; Q1009-K1011 PolarHBondContact O-N 3.39Å; Q1009-K1012 PolarHBondContact O-N 3.37Å; Q1009-A1013 PolarHBondContact O-N 3.02Å |
| 1010 | E | 88.9 | Confident | 89 | Confident | 110 Ų | 110 | 92 Ų | 92 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.7 | -163.6 | 161.2 | 176.1 | 0 | 0 | 111.1 | K988 H1006 A1013 A1014 | K988-E1010 IonicContact NZ-OE1 2.6Å; K988-E1010 PolarHBondContact NZ-OE1 3.43Å; K988-E1010 IonicContact NZ-OE2 3.17Å; K988-E1010 PolarHBondContact NZ-OE2 3.02Å; H1006-E1010 WeakPolarHBondContact O-CB 3.45Å; H1006-E1010 PolarHBondContact O-N 2.97Å; E1010-A1013 PolarHBondContact O-N 2.99Å; E1010-A1014 PolarHBondContact O-N 3.49Å |
| 1011 | K | 89.6 | Confident | 89.1 | Confident | 167 Ų | 167 | 93.7 Ų | 93.7 | 73% | 0.726 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.2 | -38.2 | 172.3 | -173.3 | 172.4 | -177.8 | 176 | 0 | 113.3 | A1007 E1008 Q1009 A1014 A1015 | A1007-K1011 WeakPolarHBondContact O-CB 3.43Å; A1007-K1011 PolarHBondContact O-N 3.36Å; E1008-K1011 PolarHBondContact O-N 3.35Å; Q1009-K1011 PolarHBondContact O-N 3.39Å; K1011-A1014 PolarHBondContact O-N 3.49Å; K1011-A1015 PolarHBondContact O-N 2.96Å; K1011-A1015 VanDerWaalsContact O-N 3.09Å |
| 1012 | K | 89.6 | Confident | 89 | Confident | 123 Ų | 123 | 97 Ų | 97 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.9 | -79.6 | 168.7 | 169.3 | 170.3 | 0 | 111.9 | E1008 Q1009 A1015 L1016 | E1008-K1012 HydrophobicContact CG-CD 4.48Å; E1008-K1012 WeakPolarHBondContact O-CB 3.47Å; E1008-K1012 WeakPolarHBondContact O-CG 3.45Å; E1008-K1012 PolarHBondContact O-N 3.04Å; E1008-K1012 WeakPolarHBondContact OE1-CE 3.43Å; E1008-K1012 IonicContact OE1-NZ 3.45Å; E1008-K1012 PolarHBondContact OE1-NZ 3.33Å; Q1009-K1012 PolarHBondContact O-N 3.37Å; K1012-A1015 PolarHBondContact O-N 2.98Å; K1012-L1016 WeakPolarHBondContact O-CG 3.49Å; K1012-L1016 PolarHBondContact O-N 3.46Å; K1012-L1016 VanDerWaalsContact O-N 3.11Å |
| 1013 | A | 86.8 | Confident | 88.9 | Confident | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1009 E1010 A1015 L1016 R1017 | Q1009-A1013 PolarHBondContact O-N 3.02Å; E1010-A1013 PolarHBondContact O-N 2.99Å; A1013-A1015 PolarHBondContact O-N 3.35Å; A1013-L1016 PolarHBondContact O-N 3.35Å; A1013-R1017 PolarHBondContact O-N 3.24Å; A1013-R1017 VanDerWaalsContact O-N 3.07Å |
| 1014 | A | 87.5 | Confident | 88.7 | Confident | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1010 K1011 R1017 Q1018 | E1010-A1014 PolarHBondContact O-N 3.49Å; K1011-A1014 PolarHBondContact O-N 3.49Å; A1014-R1017 PolarHBondContact O-N 3.42Å; A1014-Q1018 PolarHBondContact O-N 2.97Å |
| 1015 | A | 88.1 | Confident | 88.6 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | K1011 K1012 A1013 Q1018 K1019 | K1011-A1015 PolarHBondContact O-N 2.96Å; K1011-A1015 VanDerWaalsContact O-N 3.09Å; K1012-A1015 PolarHBondContact O-N 2.98Å; A1013-A1015 PolarHBondContact O-N 3.35Å; A1015-Q1018 PolarHBondContact O-N 3.38Å; A1015-K1019 PolarHBondContact O-N 3.38Å; A1015-K1019 VanDerWaalsContact O-N 3.11Å |
| 1016 | L | 88.5 | Confident | 88.5 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 174.4 | -74.3 | 171.3 | 0 | 0 | 0 | 111.7 | K1012 A1013 K1019 E1020 | K1012-L1016 WeakPolarHBondContact O-CG 3.49Å; K1012-L1016 PolarHBondContact O-N 3.46Å; K1012-L1016 VanDerWaalsContact O-N 3.11Å; A1013-L1016 PolarHBondContact O-N 3.35Å; L1016-K1019 PolarHBondContact O-N 3.31Å; L1016-E1020 PolarHBondContact O-N 3.49Å |
| 1017 | R | 87.8 | Confident | 88.3 | Confident | 156 Ų | 156 | 101 Ų | 101 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 174.8 | -82 | -165.8 | 56.5 | -167.9 | -11.6 | 112.9 | A1013 A1014 K1019 E1020 E1021 | A1013-R1017 PolarHBondContact O-N 3.24Å; A1013-R1017 VanDerWaalsContact O-N 3.07Å; A1014-R1017 PolarHBondContact O-N 3.42Å; R1017-K1019 VanDerWaalsContact C-N 3.3Å; R1017-K1019 PolarHBondContact O-N 3.28Å; R1017-E1020 PolarHBondContact O-N 3.36Å; R1017-E1021 IonicContact CZ-OE1 2.65Å; R1017-E1021 IonicContact NE-OE1 2.74Å; R1017-E1021 PolarHBondContact NE-OE1 2.96Å; R1017-E1021 IonicContact NH2-OE1 2.78Å; R1017-E1021 PolarHBondContact NH2-OE1 2.89Å; R1017-E1021 WeakPolarHBondContact O-CB 3.47Å; R1017-E1021 VanDerWaalsContact O-CG 3.27Å; R1017-E1021 WeakPolarHBondContact O-CG 3.39Å; R1017-E1021 PolarHBondContact O-N 3.48Å |
| 1018 | Q | 87.2 | Confident | 88.2 | Confident | 139 Ų | 139 | 103.9 Ų | 103.9 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.4 | -39.8 | 176.3 | -75 | -176.5 | -23.5 | 0 | 0 | 112.2 | A1014 A1015 E1021 E1022 | A1014-Q1018 PolarHBondContact O-N 2.97Å; A1015-Q1018 PolarHBondContact O-N 3.38Å; Q1018-E1021 PolarHBondContact O-N 3.1Å; Q1018-E1022 WeakPolarHBondContact O-CB 3.34Å; Q1018-E1022 PolarHBondContact O-N 3.34Å |
| 1019 | K | 90.1 | Very high | 88 | Confident | 125 Ų | 125 | 102 Ų | 102 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175 | -167.2 | -159.7 | 171.4 | -149.9 | 0 | 111.8 | A1015 L1016 R1017 E1022 E1023 | A1015-K1019 PolarHBondContact O-N 3.38Å; A1015-K1019 VanDerWaalsContact O-N 3.11Å; L1016-K1019 PolarHBondContact O-N 3.31Å; R1017-K1019 VanDerWaalsContact C-N 3.3Å; R1017-K1019 PolarHBondContact O-N 3.28Å; K1019-E1022 PolarHBondContact O-N 3.05Å; K1019-E1023 IonicContact NZ-OE2 3.2Å; K1019-E1023 VanDerWaalsContact O-CB 3.28Å; K1019-E1023 WeakPolarHBondContact O-CB 3.47Å; K1019-E1023 PolarHBondContact O-N 3Å |
| 1020 | E | 90.5 | Very high | 87.9 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 178.2 | -166 | -167.6 | 147 | 0 | 0 | 112.1 | L1016 R1017 E1023 K1024 | L1016-E1020 PolarHBondContact O-N 3.49Å; R1017-E1020 PolarHBondContact O-N 3.36Å; E1020-E1023 PolarHBondContact O-N 3.41Å; E1020-K1024 HydrophobicContact CG-CD 4.35Å; E1020-K1024 WeakPolarHBondContact O-CB 3.48Å; E1020-K1024 VanDerWaalsContact O-CG 3.27Å; E1020-K1024 WeakPolarHBondContact O-CG 3.47Å; E1020-K1024 PolarHBondContact O-N 2.98Å; E1020-K1024 WeakPolarHBondContact OE1-CE 3.49Å; E1020-K1024 IonicContact OE1-NZ 2.75Å; E1020-K1024 PolarHBondContact OE1-NZ 2.96Å |
| 1021 | E | 89.5 | Confident | 87.7 | Confident | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 175.6 | -70.9 | 162.8 | -164.1 | 0 | 0 | 111.3 | R1017 Q1018 A1025 | R1017-E1021 IonicContact CZ-OE1 2.65Å; R1017-E1021 IonicContact NE-OE1 2.74Å; R1017-E1021 PolarHBondContact NE-OE1 2.96Å; R1017-E1021 IonicContact NH2-OE1 2.78Å; R1017-E1021 PolarHBondContact NH2-OE1 2.89Å; R1017-E1021 WeakPolarHBondContact O-CB 3.47Å; R1017-E1021 VanDerWaalsContact O-CG 3.27Å; R1017-E1021 WeakPolarHBondContact O-CG 3.39Å; R1017-E1021 PolarHBondContact O-N 3.48Å; Q1018-E1021 PolarHBondContact O-N 3.1Å; E1021-A1025 WeakPolarHBondContact O-CB 3.4Å; E1021-A1025 PolarHBondContact O-N 3.4Å |
| 1022 | E | 89.4 | Confident | 87.4 | Confident | 131 Ų | 131 | 103.6 Ų | 103.6 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 172.3 | -176.1 | 170.9 | -160.7 | 0 | 0 | 112.5 | Q1018 K1019 A1025 A1026 | Q1018-E1022 WeakPolarHBondContact O-CB 3.34Å; Q1018-E1022 PolarHBondContact O-N 3.34Å; K1019-E1022 PolarHBondContact O-N 3.05Å; E1022-A1025 PolarHBondContact O-N 3.26Å; E1022-A1026 WeakPolarHBondContact O-CB 3.5Å; E1022-A1026 PolarHBondContact O-N 3.02Å |
| 1023 | E | 89.5 | Confident | 87.1 | Confident | 119 Ų | 119 | 105.7 Ų | 105.7 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 178.2 | -171 | 164.1 | 170.2 | 0 | 0 | 111.6 | K1019 E1020 A1026 A1027 | K1019-E1023 IonicContact NZ-OE2 3.2Å; K1019-E1023 VanDerWaalsContact O-CB 3.28Å; K1019-E1023 WeakPolarHBondContact O-CB 3.47Å; K1019-E1023 PolarHBondContact O-N 3Å; E1020-E1023 PolarHBondContact O-N 3.41Å; E1023-A1026 PolarHBondContact O-N 3.43Å; E1023-A1027 WeakPolarHBondContact O-CB 3.41Å; E1023-A1027 PolarHBondContact O-N 3.43Å |
| 1024 | K | 87.3 | Confident | 87 | Confident | 127 Ų | 127 | 106 Ų | 106 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 171.9 | -77.3 | 168.6 | 172.8 | 173.7 | 0 | 112.5 | E1020 A1027 Q1028 | E1020-K1024 HydrophobicContact CG-CD 4.35Å; E1020-K1024 WeakPolarHBondContact O-CB 3.48Å; E1020-K1024 VanDerWaalsContact O-CG 3.27Å; E1020-K1024 WeakPolarHBondContact O-CG 3.47Å; E1020-K1024 PolarHBondContact O-N 2.98Å; E1020-K1024 WeakPolarHBondContact OE1-CE 3.49Å; E1020-K1024 IonicContact OE1-NZ 2.75Å; E1020-K1024 PolarHBondContact OE1-NZ 2.96Å; K1024-A1027 PolarHBondContact O-N 3.41Å; K1024-Q1028 PolarHBondContact O-N 2.89Å |
| 1025 | A | 89.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 106.5 Ų | 106.5 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | E1021 E1022 Q1028 A1029 | E1021-A1025 WeakPolarHBondContact O-CB 3.4Å; E1021-A1025 PolarHBondContact O-N 3.4Å; E1022-A1025 PolarHBondContact O-N 3.26Å; A1025-Q1028 PolarHBondContact O-N 3.21Å; A1025-A1029 WeakPolarHBondContact O-CB 3.43Å; A1025-A1029 PolarHBondContact O-N 3.06Å |
| 1026 | A | 86.6 | Confident | 86.2 | Confident | 45 Ų | 45 | 106.8 Ų | 106.8 | 37% | 0.372 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.8 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1022 E1023 A1029 R1030 | E1022-A1026 WeakPolarHBondContact O-CB 3.5Å; E1022-A1026 PolarHBondContact O-N 3.02Å; E1023-A1026 PolarHBondContact O-N 3.43Å; A1026-A1029 PolarHBondContact O-N 3.43Å; A1026-R1030 WeakPolarHBondContact O-CG 3.49Å; A1026-R1030 PolarHBondContact O-N 3Å |
| 1027 | A | 86.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1023 K1024 A1029 R1030 A1031 | E1023-A1027 WeakPolarHBondContact O-CB 3.41Å; E1023-A1027 PolarHBondContact O-N 3.43Å; K1024-A1027 PolarHBondContact O-N 3.41Å; A1027-A1029 VanDerWaalsContact C-N 3.35Å; A1027-A1029 PolarHBondContact O-N 3.43Å; A1027-R1030 PolarHBondContact O-N 3.31Å; A1027-A1031 PolarHBondContact O-N 3.49Å |
| 1028 | Q | 85.7 | Confident | 85 | Confident | 120 Ų | 120 | 99.3 Ų | 99.3 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 177.1 | -164.8 | -179.8 | 28.9 | 0 | 0 | 112.3 | K1024 A1025 A1031 R1032 | K1024-Q1028 PolarHBondContact O-N 2.89Å; A1025-Q1028 PolarHBondContact O-N 3.21Å; Q1028-A1031 PolarHBondContact O-N 3.5Å; Q1028-R1032 PolarHBondContact O-N 3.02Å |
| 1029 | A | 83.5 | Confident | 84.3 | Confident | 60 Ų | 60 | 95.8 Ų | 95.8 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1025 A1026 A1027 K1033 | A1025-A1029 WeakPolarHBondContact O-CB 3.43Å; A1025-A1029 PolarHBondContact O-N 3.06Å; A1026-A1029 PolarHBondContact O-N 3.43Å; A1027-A1029 VanDerWaalsContact C-N 3.35Å; A1027-A1029 PolarHBondContact O-N 3.43Å; A1029-K1033 PolarHBondContact O-N 3.07Å |
| 1030 | R | 84.4 | Confident | 83.4 | Confident | 197 Ų | 197 | 92.9 Ų | 92.9 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 173 | -73.3 | 173.3 | -177.7 | -179.1 | 2.2 | 111.8 | A1026 A1027 K1033 A1034 | A1026-R1030 WeakPolarHBondContact O-CG 3.49Å; A1026-R1030 PolarHBondContact O-N 3Å; A1027-R1030 PolarHBondContact O-N 3.31Å; R1030-K1033 PolarHBondContact O-N 3.06Å; R1030-A1034 WeakPolarHBondContact O-CB 3.5Å; R1030-A1034 PolarHBondContact O-N 3.18Å |
| 1031 | A | 84.2 | Confident | 82.5 | Confident | 60 Ų | 60 | 90.4 Ų | 90.4 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1027 Q1028 K1033 A1034 A1035 | A1027-A1031 PolarHBondContact O-N 3.49Å; Q1028-A1031 PolarHBondContact O-N 3.5Å; A1031-K1033 PolarHBondContact O-N 2.81Å; A1031-A1034 PolarHBondContact O-N 3.43Å; A1031-A1035 WeakPolarHBondContact O-CB 3.32Å; A1031-A1035 PolarHBondContact O-N 2.97Å |
| 1032 | R | 84.5 | Confident | 81.5 | Confident | 180 Ų | 180 | 88.5 Ų | 88.5 | 68% | 0.679 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | 173.7 | -76.7 | -178.5 | 171.3 | -177.4 | -3.2 | 112.6 | Q1028 A1035 A1036 | Q1028-R1032 PolarHBondContact O-N 3.02Å; R1032-A1035 PolarHBondContact O-N 2.96Å; R1032-A1036 WeakPolarHBondContact O-CB 3.45Å; R1032-A1036 PolarHBondContact O-N 3.5Å |
| 1033 | K | 83.2 | Confident | 80.3 | Confident | 167 Ų | 167 | 85.6 Ų | 85.6 | 73% | 0.726 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -36.5 | 176.9 | -170.1 | 171.2 | -178.4 | 176.1 | 0 | 112.5 | A1029 R1030 A1031 A1037 | A1029-K1033 PolarHBondContact O-N 3.07Å; R1030-K1033 PolarHBondContact O-N 3.06Å; A1031-K1033 PolarHBondContact O-N 2.81Å; K1033-A1037 WeakPolarHBondContact O-CB 3.43Å; K1033-A1037 PolarHBondContact O-N 3.11Å |
| 1034 | A | 83.2 | Confident | 79 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1030 A1031 A1037 A1038 | R1030-A1034 WeakPolarHBondContact O-CB 3.5Å; R1030-A1034 PolarHBondContact O-N 3.18Å; A1031-A1034 PolarHBondContact O-N 3.43Å; A1034-A1037 PolarHBondContact O-N 3.02Å; A1034-A1038 WeakPolarHBondContact O-CB 3.45Å; A1034-A1038 PolarHBondContact O-N 3.23Å |
| 1035 | A | 79.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 85.3 Ų | 85.3 | 51% | 0.512 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1031 R1032 A1038 A1039 | A1031-A1035 WeakPolarHBondContact O-CB 3.32Å; A1031-A1035 PolarHBondContact O-N 2.97Å; R1032-A1035 PolarHBondContact O-N 2.96Å; A1035-A1038 PolarHBondContact O-N 3.05Å; A1035-A1039 WeakPolarHBondContact O-CB 3.48Å; A1035-A1039 PolarHBondContact O-N 3.13Å |
| 1036 | A | 79.4 | Confident | 76.1 | Confident | 61 Ų | 61 | 91 Ų | 91 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.8 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1032 A1039 A1040 | R1032-A1036 WeakPolarHBondContact O-CB 3.45Å; R1032-A1036 PolarHBondContact O-N 3.5Å; A1036-A1039 PolarHBondContact O-N 3.36Å; A1036-A1040 WeakPolarHBondContact O-CB 3.41Å; A1036-A1040 PolarHBondContact O-N 3.4Å |
| 1037 | A | 76.9 | Confident | 74.5 | Confident | 60 Ų | 60 | 92.1 Ų | 92.1 | 50% | 0.496 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.4 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1033 A1034 A1040 A1041 | K1033-A1037 WeakPolarHBondContact O-CB 3.43Å; K1033-A1037 PolarHBondContact O-N 3.11Å; A1034-A1037 PolarHBondContact O-N 3.02Å; A1037-A1040 PolarHBondContact O-N 3.05Å; A1037-A1041 WeakPolarHBondContact O-CB 3.41Å; A1037-A1041 PolarHBondContact O-N 3.03Å |
| 1038 | A | 75.4 | Confident | 72.5 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 51% | 0.512 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A1034 A1035 A1041 A1042 | A1034-A1038 WeakPolarHBondContact O-CB 3.45Å; A1034-A1038 PolarHBondContact O-N 3.23Å; A1035-A1038 PolarHBondContact O-N 3.05Å; A1038-A1041 PolarHBondContact O-N 3Å; A1038-A1042 WeakPolarHBondContact O-CB 3.47Å; A1038-A1042 PolarHBondContact O-N 3.02Å |
| 1039 | A | 72.9 | Confident | 70.3 | Confident | 64 Ų | 64 | 96.9 Ų | 96.9 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1035 A1036 A1042 A1043 | A1035-A1039 WeakPolarHBondContact O-CB 3.48Å; A1035-A1039 PolarHBondContact O-N 3.13Å; A1036-A1039 PolarHBondContact O-N 3.36Å; A1039-A1042 PolarHBondContact O-N 3.01Å; A1039-A1043 PolarHBondContact O-N 2.95Å |
| 1040 | A | 70.2 | Confident | 68 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.4 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1036 A1037 A1043 A1044 | A1036-A1040 WeakPolarHBondContact O-CB 3.41Å; A1036-A1040 PolarHBondContact O-N 3.4Å; A1037-A1040 PolarHBondContact O-N 3.05Å; A1040-A1043 PolarHBondContact O-N 3.26Å; A1040-A1044 PolarHBondContact O-N 3.16Å; A1040-A1044 VanDerWaalsContact O-N 3.09Å |
| 1041 | A | 71 | Confident | 65.8 | Low | 46 Ų | 46 | 97.6 Ų | 97.6 | 38% | 0.38 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.7 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1037 A1038 A1043 A1044 H1045 | A1037-A1041 WeakPolarHBondContact O-CB 3.41Å; A1037-A1041 PolarHBondContact O-N 3.03Å; A1038-A1041 PolarHBondContact O-N 3Å; A1041-A1043 VanDerWaalsContact C-N 3.31Å; A1041-A1043 PolarHBondContact O-N 3.39Å; A1041-A1044 PolarHBondContact O-N 3.26Å; A1041-A1044 VanDerWaalsContact O-N 3.16Å; A1041-H1045 PolarHBondContact O-CD2 3.42Å; A1041-H1045 PolarHBondContact O-N 3.41Å |
| 1042 | A | 68.3 | Low | 63.4 | Low | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.6 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1038 A1039 H1045 | A1038-A1042 WeakPolarHBondContact O-CB 3.47Å; A1038-A1042 PolarHBondContact O-N 3.02Å; A1039-A1042 PolarHBondContact O-N 3.01Å; A1042-H1045 PolarHBondContact O-N 3.45Å |
| 1043 | A | 65.9 | Low | 61.1 | Low | 70 Ų | 70 | 94 Ų | 94 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.6 | -38.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1039 A1040 A1041 | A1039-A1043 PolarHBondContact O-N 2.95Å; A1040-A1043 PolarHBondContact O-N 3.26Å; A1041-A1043 VanDerWaalsContact C-N 3.31Å; A1041-A1043 PolarHBondContact O-N 3.39Å |
| 1044 | A | 61.8 | Low | 58.7 | Low | 71 Ų | 71 | 90 Ų | 90 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.1 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1040 A1041 Q1046 G1047 | A1040-A1044 PolarHBondContact O-N 3.16Å; A1040-A1044 VanDerWaalsContact O-N 3.09Å; A1041-A1044 PolarHBondContact O-N 3.26Å; A1041-A1044 VanDerWaalsContact O-N 3.16Å; A1044-Q1046 VanDerWaalsContact C-N 3.26Å; A1044-Q1046 PolarHBondContact O-N 3.33Å; A1044-G1047 PolarHBondContact O-N 2.67Å |
| 1045 | H | 59.3 | Low | 56.4 | Low | 169 Ų | 169 | 96 Ų | 96 | 78% | 0.782 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73 | -10 | -178.3 | -79.6 | -66.1 | 0 | 0 | 0 | 115.2 | A1041 A1042 | A1041-H1045 PolarHBondContact O-CD2 3.42Å; A1041-H1045 PolarHBondContact O-N 3.41Å; A1042-H1045 PolarHBondContact O-N 3.45Å |
| 1046 | Q | 56.3 | Low | 54.2 | Low | 177 Ų | 177 | 102.4 Ų | 102.4 | 83% | 0.827 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -1.3 | 168.1 | -61.6 | -176.1 | 20 | 0 | 0 | 112.5 | A1044 G1048 | A1044-Q1046 VanDerWaalsContact C-N 3.26Å; A1044-Q1046 PolarHBondContact O-N 3.33Å; Q1046-G1048 VanDerWaalsContact C-N 3.34Å; Q1046-G1048 PolarHBondContact O-N 3.45Å |
| 1047 | G | 53.6 | Low | 51.9 | Low | 68 Ų | 68 | 102.8 Ų | 102.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -81.8 | 6.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117 | A1044 | A1044-G1047 PolarHBondContact O-N 2.67Š|
| 1048 | G | 43.3 | Very low | 49.9 | Very low | 67 Ų | 67 | 108.8 Ų | 108.8 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | 127.2 | 136.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q1046 | Q1046-G1048 VanDerWaalsContact C-N 3.34Å; Q1046-G1048 PolarHBondContact O-N 3.45Å | ||
| 1049 | E | 40.1 | Very low | 47.9 | Very low | 210 Ų | 210 | 113.4 Ų | 113.4 | 98% | 0.981 | 72% | 0.72 | S | S | * | * | trans | -125.6 | 135.3 | 153.3 | -75.4 | -162.5 | 109.3 | 0 | 0 | 108.9 | ||||
| 1050 | G | 35.8 | Very low | 45.8 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | -164.6 | 116 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1051 | H | 38.2 | Very low | 44.2 | Very low | 196 Ų | 196 | 117.8 Ų | 117.8 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -52.7 | 157.6 | 175.1 | -82.3 | -117.9 | 0 | 0 | 0 | 113.2 | ||||
| 1052 | G | 33.7 | Very low | 42.2 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | 124.2 | 158.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1053 | A | 34.7 | Very low | 40.6 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -170.1 | 178.7 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1054 | A | 32.5 | Very low | 38.8 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | 79.4 | 109.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1055 | Q | 35.3 | Very low | 37.7 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -176.1 | 102.8 | 131.8 | -102.2 | 160.4 | 88.6 | 0 | 0 | 107.1 | ||||
| 1056 | Q | 33.5 | Very low | 36.3 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | 76.9 | 129.8 | 72.5 | -75.7 | -164.4 | -16 | 0 | 0 | 115.5 | |||||
| 1057 | G | 31.7 | Very low | 35.6 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 99 | 89.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1058 | E | 34.9 | Very low | 34.6 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | 54.1 | 123.5 | 57.5 | -63.8 | -157.6 | 158.1 | 0 | 0 | 113.2 | |||||
| 1059 | I | 32.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | cis | -157.6 | 175.2 | 1.3 | 28.4 | 164.1 | 0 | 0 | 0 | 110 | ||||
| 1060 | S | 29.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 110.2 | 100.9 | 158.7 | -162.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1061 | S | 36.2 | Very low | 34.5 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -47.7 | 133.7 | 167.7 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1062 | Q | 29.2 | Very low | 34.3 | Very low | 193 Ų | 193 | 125.6 Ų | 125.6 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -149 | 136.2 | 135.5 | -152.6 | 171.1 | -79.2 | 0 | 0 | 110 | ||||
| 1063 | E | 32.9 | Very low | 34.4 | Very low | 179 Ų | 179 | 128.9 Ų | 128.9 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | -94.8 | 139.1 | 178.7 | 59.7 | -135.8 | 83.8 | 0 | 0 | 111.7 | ||||
| 1064 | D | 29.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -137.9 | 169.9 | 176.4 | -154 | -2.5 | 0 | 0 | 0 | 112 | ||||
| 1065 | S | 38.3 | Very low | 34.5 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | -118.8 | -164.3 | -169.8 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1066 | S | 30.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | 69.4 | 122.2 | -168 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1067 | E | 41.3 | Very low | 34.4 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | cis | 70.7 | 94.8 | 39.4 | -52.6 | -179 | 134 | 0 | 0 | 111.2 | T474 R475 | T474-E1067 WeakPolarHBondContact CA-OE1 3.27Å; T474-E1067 WeakPolarHBondContact CB-OE1 2.99Å; T474-E1067 WeakPolarHBondContact CB-OE2 3.38Å; T474-E1067 HydrophobicContact CG2-CB 4.34Å; T474-E1067 HydrophobicContact CG2-CG 4.48Å; T474-E1067 VanDerWaalsContact CG2-OE2 3.26Å; T474-E1067 WeakPolarHBondContact CG2-OE2 3.42Å; R475-E1067 PolarHBondContact N-OE1 2.83Å | ||
| 1068 | G | 32.3 | Very low | 34.5 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -178.4 | 68.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1069 | E | 38.5 | Very low | 34.5 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 34% | 0.336 | 72% | 0.724 | S | S | . | * | 33.3 | 141.1 | 122.5 | -16.9 | -165 | 153.8 | 0 | 0 | 118.6 | I471 Q472 | I471-E1069 WeakPolarHBondContact CA-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CB-OE2 3.46Å; I471-E1069 WeakPolarHBondContact CG2-OE2 3.45Å; Q472-E1069 VanDerWaalsContact CA-OE1 3.29Å; Q472-E1069 WeakPolarHBondContact CA-OE1 3.35Å; Q472-E1069 HydrophobicContact CB-CB 4.37Å; Q472-E1069 HydrophobicContact CB-CG 3.88Å; Q472-E1069 WeakPolarHBondContact CB-OE1 3.35Å; Q472-E1069 HydrophobicContact CG-CB 3.86Å; Q472-E1069 HydrophobicContact CG-CG 3.96Å; Q472-E1069 PolarHBondContact N-OE1 3.24Å; Q472-E1069 PolarHBondContact N-OE2 3.23Å | |||
| 1070 | D | 37.4 | Very low | 34.6 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 54% | 0.54 | 72% | 0.719 | S | S | . | * | cis | -148.7 | -164.1 | 44.8 | -147.7 | -10.2 | 0 | 0 | 0 | 114.1 | ||||
| 1071 | D | 40.3 | Very low | 34.9 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | trans | -71.3 | 154.2 | 170.2 | -74.6 | -47.5 | 0 | 0 | 0 | 113.9 | ||||
| 1072 | D | 35.1 | Very low | 34.8 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -169.5 | 135.4 | 135.8 | -106.9 | -15.9 | 0 | 0 | 0 | 114.1 | ||||
| 1073 | D | 35.6 | Very low | 35.2 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 50.3 | 118.7 | 152.8 | -75.4 | -7.2 | 0 | 0 | 0 | 126.8 | ||||
| 1074 | E | 32 | Very low | 35.4 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | 81.4 | 140.8 | 125.9 | -67.8 | -84.4 | 91.4 | 0 | 0 | 123.8 | |||||
| 1075 | D | 37.1 | Very low | 35.8 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | trans | -11 | 135.6 | 167.5 | -83.4 | -17.6 | 0 | 0 | 0 | 118.8 | ||||
| 1076 | W | 29 | Very low | 35.6 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 75% | 0.75 | 68% | 0.676 | S | S | * | * | -178.3 | 127.4 | 91.2 | -90.9 | 104.8 | 0 | 0 | 0 | 113.4 | |||||
| 1077 | H | 38 | Very low | 36.1 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 100% | 1 | 67% | 0.67 | S | S | * | * | trans | 69 | 0 | 162.6 | -73.3 | -43.8 | 0 | 0 | 0 | 119.9 |
Retrieved 1,077 of 1,077 residues in 2890.3 ms
(Link to these results)