| 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 | 27.9 | Very low | 34.9 | Very low | 243 Ų | 243 | 164.6 Ų | 164.6 | 100% | 1.197 | 86% | 0.863 | S | S | * | * | 0 | 142.8 | 0 | -73.5 | 169.4 | 166.9 | 0 | 0 | 108.3 | |||||
| 2 | P | 61 | Low | 34.1 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 74% | 0.74 | 86% | 0.859 | S | S | * | * | trans | -94.3 | -177.4 | 178.6 | 41.6 | -36.8 | 0 | 0 | 0 | 111.5 | ||||
| 3 | P | 55.3 | Low | 33.8 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 81% | 0.812 | 86% | 0.859 | S | S | * | * | -122.1 | 153.8 | 78.4 | 2.9 | 20 | 0 | 0 | 0 | 112.6 | |||||
| 4 | A | 38.9 | Very low | 33.5 | Very low | 91 Ų | 91 | 156.4 Ų | 156.4 | 75% | 0.752 | 86% | 0.857 | S | S | * | * | cis | 79.5 | 134.8 | 33.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 5 | A | 36.3 | Very low | 34.2 | Very low | 93 Ų | 93 | 154.3 Ų | 154.3 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | cis | -161.3 | -156.2 | -11.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 6 | R | 30.2 | Very low | 34 | Very low | 245 Ų | 245 | 150.1 Ų | 150.1 | 93% | 0.925 | 85% | 0.846 | S | S | * | * | cis | -170 | 134.8 | 10.7 | -159.1 | -179.2 | -168.8 | 175.5 | 3.7 | 110.2 | ||||
| 7 | S | 25.2 | Very low | 33.8 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | trans | -162 | 137.6 | 164.9 | -175 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 8 | V | 28.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | trans | -156.8 | 119.8 | 179.4 | 176 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 9 | R | 26.7 | Very low | 33.1 | Very low | 243 Ų | 243 | 153.4 Ų | 153.4 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | -177.2 | 154.8 | 129.1 | -106.9 | 174.8 | -176.3 | -176.4 | 0.6 | 114.9 | |||||
| 10 | L | 27.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 81% | 0.806 | 83% | 0.828 | S | S | * | * | trans | -84.7 | 153 | 178 | -64.2 | 66.9 | 0 | 0 | 0 | 112.1 | ||||
| 11 | R | 26.5 | Very low | 32.5 | Very low | 256 Ų | 256 | 153.9 Ų | 153.9 | 97% | 0.966 | 83% | 0.828 | S | S | * | * | -177.8 | 147.8 | 123.6 | -103.1 | 172.6 | 177.4 | -168.8 | -2.2 | 110.9 | |||||
| 12 | G | 25.6 | Very low | 32.5 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 158.7 | 45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 13 | T | 30.6 | Very low | 30.8 | Very low | 140 Ų | 140 | 149 Ų | 149 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -92.8 | 139.6 | 170.6 | 48.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 14 | L | 30 | Very low | 29.4 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -9.7 | 148.2 | 151.9 | -76.1 | 163.6 | 0 | 0 | 0 | 117.5 | ||||
| 15 | P | 42.8 | Very low | 28.8 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -143.3 | -175.4 | 52.7 | 40.9 | -21.9 | 0 | 0 | 0 | 117.3 | |||||
| 16 | A | 31.9 | Very low | 28.3 | Very low | 87 Ų | 87 | 154.5 Ų | 154.5 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -96.6 | 168.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 17 | V | 30 | Very low | 28.1 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | 179.2 | 116.6 | 141.9 | 143.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 18 | L | 28.3 | Very low | 28.3 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 49.4 | -179.1 | 150.5 | -77.5 | 113.7 | 0 | 0 | 0 | 123.4 | V20 | L18-V20 HydrophobicContact CD2-CG2 4.47Š| ||
| 19 | W | 26.7 | Very low | 28.4 | Very low | 239 Ų | 239 | 147.7 Ų | 147.7 | 91% | 0.905 | 79% | 0.792 | S | S | * | * | trans | 82.9 | 106 | -170.2 | -63 | 83.9 | 0 | 0 | 0 | 114.7 | ||||
| 20 | V | 27.9 | Very low | 28.3 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 58% | 0.582 | 79% | 0.785 | S | S | * | * | cis | 104.6 | 106.3 | 21.8 | 178.7 | 0 | 0 | 0 | 0 | 112.9 | L18 | L18-V20 HydrophobicContact CD2-CG2 4.47Š| ||
| 21 | W | 26.2 | Very low | 28.5 | Very low | 222 Ų | 222 | 139.1 Ų | 139.1 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 69 | 152.1 | 165.5 | -69.9 | 38.8 | 0 | 0 | 0 | 116.3 | ||||
| 22 | L | 26.7 | Very low | 28.5 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | cis | -121.6 | 147.9 | -5.2 | -81.7 | 100 | 0 | 0 | 0 | 109.4 | ||||
| 23 | L | 26.3 | Very low | 28.6 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | 80.2 | 114.6 | 63.9 | -124 | -178.5 | 0 | 0 | 0 | 115.3 | |||||
| 24 | W | 24.6 | Very low | 28.6 | Very low | 223 Ų | 223 | 137 Ų | 137 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 78.5 | 130.1 | 151.1 | -104.2 | -26.3 | 0 | 0 | 0 | 123.9 | ||||
| 25 | S | 26.6 | Very low | 29.8 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | 59.6 | 147.7 | 135.6 | 63 | 0 | 0 | 0 | 0 | 121 | ||||
| 26 | S | 26.2 | Very low | 29.1 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | cis | 178.1 | 166.4 | -8.7 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 27 | V | 26 | Very low | 29 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 58 | 105.3 | 148.3 | 168.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 28 | S | 30 | Very low | 29.9 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | 87.7 | 162.1 | 82.5 | -157.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 29 | A | 29.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 61.7 | 149.1 | -160.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 30 | G | 25.4 | Very low | 29.8 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | 157 | 170.9 | 6.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 31 | D | 29.7 | Very low | 29.7 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | cis | -166.3 | 175.1 | -7.7 | -171.8 | 11.8 | 0 | 0 | 0 | 106.8 | ||||
| 32 | K | 28.3 | Very low | 29.7 | Very low | 137 Ų | 137 | 131 Ų | 131 | 60% | 0.596 | 76% | 0.758 | S | S | * | * | trans | 73.5 | 118 | 156.4 | -74.8 | 169.1 | 159.6 | -73.4 | 0 | 123.6 | ||||
| 33 | E | 26.7 | Very low | 29.8 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | 90.4 | 154 | 120.5 | -71.2 | 161.5 | 179.4 | 0 | 0 | 122.5 | |||||
| 34 | V | 30 | Very low | 30.3 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -135.9 | -169 | -163.9 | -126.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 35 | P | 56.8 | Low | 30.5 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -130.1 | 177.2 | -29.1 | 37.1 | -21.4 | 0 | 0 | 0 | 113 | ||||
| 36 | T | 26.2 | Very low | 30.6 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -163.5 | 146.6 | 142.4 | -2.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 37 | V | 31.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -152.1 | 137.4 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 38 | P | 48.2 | Very low | 30.5 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -162.8 | -170.3 | 79.6 | 43.5 | -19.9 | 0 | 0 | 0 | 119.4 | |||||
| 39 | L | 26.7 | Very low | 30.4 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 93 | 93.6 | 155.1 | -70.3 | 163.3 | 0 | 0 | 0 | 121.3 | ||||
| 40 | S | 25.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 23.1 | 137.5 | 116.4 | -172.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 41 | I | 26.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 130 Ų | 130 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | -170.7 | 131.3 | 124.4 | -102.4 | 160 | 0 | 0 | 0 | 114.6 | |||||
| 42 | Q | 26.6 | Very low | 30.1 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 53.2 | 149.9 | 149.6 | -64.6 | 174.6 | -17.2 | 0 | 0 | 124.7 | ||||
| 43 | S | 27.8 | Very low | 30 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -108.8 | 164.3 | 164.4 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 44 | P | 37.4 | Very low | 29.9 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -114 | 167.5 | 165.8 | 38.4 | -29.4 | 0 | 0 | 0 | 113.5 | ||||
| 45 | V | 27.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -141.3 | 145.4 | -172.1 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 46 | L | 28.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 62.3 | 133.8 | 167.9 | -109.6 | 71.7 | 0 | 0 | 0 | 120.2 | ||||
| 47 | T | 24.1 | Very low | 28.7 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | -162 | 173.1 | 116 | 7.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 48 | T | 26.5 | Very low | 28.5 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -126.4 | 173.3 | -162.2 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 49 | A | 26.9 | Very low | 27.7 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 92.3 | 149 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 50 | G | 25.7 | Very low | 27.8 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 163.5 | 134.6 | -12.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 51 | T | 26.8 | Very low | 28 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 65.1 | 137.9 | 158.3 | 50 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 52 | R | 26.6 | Very low | 28.2 | Very low | 205 Ų | 205 | 130 Ų | 130 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | 78.5 | 149 | 141.8 | -80.5 | -175.2 | 152.5 | 162.9 | -9.7 | 120.6 | ||||
| 53 | E | 26.3 | Very low | 28.3 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | cis | -164 | 159.1 | -19 | -137.1 | 157.5 | -144.1 | 0 | 0 | 108.9 | ||||
| 54 | D | 25.4 | Very low | 28.4 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 57.1 | 158.1 | 175.1 | -69.9 | -26.4 | 0 | 0 | 0 | 118.3 | ||||
| 55 | G | 27.3 | Very low | 28 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | 155.1 | 159.3 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 56 | S | 30.5 | Very low | 27.9 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -172.6 | 165.6 | -3 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 57 | K | 29.4 | Very low | 27.8 | Very low | 205 Ų | 205 | 121.6 Ų | 121.6 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | 77.8 | 133.5 | 170.8 | -50.5 | 162.3 | -174.7 | 167.8 | 0 | 117.6 | ||||
| 58 | G | 27.2 | Very low | 27.9 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | 141.3 | 171.7 | -19.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 59 | K | 30.5 | Very low | 28 | Very low | 198 Ų | 198 | 125 Ų | 125 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 76.1 | 145.7 | 166.4 | -65.9 | -159.8 | 169.9 | -172.8 | 0 | 117.4 | ||||
| 60 | T | 29.5 | Very low | 28 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | cis | -168.4 | 167.9 | -4.8 | 17.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 61 | S | 30.5 | Very low | 28.1 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -174.2 | 167.9 | -8.8 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 62 | S | 31.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 152 | 146.9 | 62.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 63 | L | 27.3 | Very low | 28.2 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | cis | -125.4 | 149.1 | 6 | -86 | 92 | 0 | 0 | 0 | 109.6 | ||||
| 64 | A | 30.6 | Very low | 28.3 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | 67.9 | 135 | 65.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 65 | A | 29 | Very low | 28.3 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | cis | -169 | 163.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 66 | G | 25.5 | Very low | 28.3 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 95.4 | 148.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 67 | G | 27.4 | Very low | 28.3 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | cis | 162.6 | 156.6 | -10 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 68 | F | 25.8 | Very low | 28.2 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 143.8 | 178.4 | -66.7 | -117.9 | 0 | 0 | 0 | 115.2 | ||||
| 69 | L | 28.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -159.4 | 175 | -17 | -99.4 | -179 | 0 | 0 | 0 | 106.2 | ||||
| 70 | H | 27.4 | Very low | 28.2 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | -142 | -160.1 | 5.2 | -165.3 | -98.8 | 0 | 0 | 0 | 109 | ||||
| 71 | S | 27 | Very low | 28.1 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -145.5 | 149.3 | 170.8 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 72 | V | 27 | Very low | 28 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -157.1 | 115 | 160.8 | -159 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 73 | L | 28.1 | Very low | 27.8 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 53.3 | 142 | 78.1 | -60.8 | 173.9 | 0 | 0 | 0 | 115 | |||||
| 74 | A | 28.3 | Very low | 27.7 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | cis | -171.2 | 167.9 | -22.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 75 | Q | 26.6 | Very low | 27.6 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 71 | 130 | 151.3 | -73.5 | -170.4 | 24.8 | 0 | 0 | 123.2 | ||||
| 76 | R | 27.6 | Very low | 27.5 | Very low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | 66.7 | 140 | 140.5 | -66 | 169.2 | 171.5 | -179 | -2.7 | 119.6 | ||||
| 77 | G | 29 | Very low | 27.6 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | cis | 140.8 | 147.6 | -18.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 78 | R | 28.1 | Very low | 28.9 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | 64.3 | 125.3 | 164.9 | -72 | -175.2 | 170.9 | -172.8 | -2.3 | 120.4 | ||||
| 79 | L | 28.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | -177.8 | 132.4 | 116.8 | -86.7 | 152.3 | 0 | 0 | 0 | 105.7 | |||||
| 80 | V | 28.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | cis | 70.3 | 121.4 | 43.5 | -177 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | S | 28.3 | Very low | 28.8 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -149.7 | 156.2 | 29.3 | -112.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 82 | K | 28.4 | Very low | 29.5 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | 53.2 | 147.6 | 83.2 | -72.7 | -175.3 | 175 | -179.8 | 0 | 116.4 | |||||
| 83 | K | 26.4 | Very low | 29.7 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | -178.1 | 154.5 | -7.8 | 165.8 | -179.7 | -174.3 | -73.6 | 0 | 110.1 | E85 | K83-E85 IonicContact NZ-OE1 2.77Å; K83-E85 IonicContact NZ-OE2 2.82Å; K83-E85 PolarHBondContact NZ-OE2 3.41Å | ||
| 84 | G | 26.5 | Very low | 29.8 | Very low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | trans | 122.7 | 138.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 85 | E | 27.3 | Very low | 29.7 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | 97.7 | 141.5 | 33.3 | -78.1 | 167 | 112.3 | 0 | 0 | 114.3 | K83 | K83-E85 IonicContact NZ-OE1 2.77Å; K83-E85 IonicContact NZ-OE2 2.82Å; K83-E85 PolarHBondContact NZ-OE2 3.41Å | ||
| 86 | V | 27 | Very low | 29.7 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -169.9 | 152.3 | -29.2 | 75 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 87 | I | 28.7 | Very low | 30.8 | Very low | 152 Ų | 152 | 136 Ų | 136 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 70.5 | 168.9 | 166.5 | 12.8 | 178.1 | 0 | 0 | 0 | 121.3 | ||||
| 88 | P | 53.1 | Low | 30.7 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | -140.5 | -144.3 | -119.6 | 49.9 | -28.3 | 0 | 0 | 0 | 116.6 | |||||
| 89 | S | 25.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 103.2 | 143.4 | 159.2 | 78.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 90 | A | 29 | Very low | 30.5 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | cis | -172.3 | 162.5 | -15.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 91 | L | 26.6 | Very low | 30.5 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | 79.6 | 159.3 | 147.6 | -75.6 | 163.9 | 0 | 0 | 0 | 120.8 | ||||
| 92 | P | 41.8 | Very low | 30.3 | Very low | 95 Ų | 95 | 137 Ų | 137 | 62% | 0.617 | 77% | 0.765 | S | S | * | * | trans | -142.6 | -169.4 | -133.6 | 46.7 | -27.5 | 0 | 0 | 0 | 116.4 | ||||
| 93 | Q | 30.8 | Very low | 30.2 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 167.1 | 133.4 | 135.4 | -90 | 161.7 | 32.5 | 0 | 0 | 108.7 | ||||
| 94 | N | 30.2 | Very low | 30.1 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | 99.9 | 131.5 | 28.7 | -99.5 | -2.3 | 0 | 0 | 0 | 117.1 | ||||
| 95 | L | 27.4 | Very low | 30.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 81.5 | 120.5 | 158.2 | -66.4 | 162.9 | 0 | 0 | 0 | 121.8 | ||||
| 96 | L | 24.6 | Very low | 30.3 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -154.1 | 145.5 | 136.7 | -110.3 | 176.6 | 0 | 0 | 0 | 109.9 | ||||
| 97 | P | 51 | Low | 30.3 | Very low | 93 Ų | 93 | 135 Ų | 135 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | trans | -133.7 | 166.3 | -178.4 | 42.8 | -29.6 | 0 | 0 | 0 | 117.3 | ||||
| 98 | L | 27.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 142.2 | 145.2 | -80.8 | 163.9 | 0 | 0 | 0 | 122.9 | ||||
| 99 | L | 24.9 | Very low | 29.1 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | 71.4 | 145.4 | 158.9 | -61.1 | 152.3 | 0 | 0 | 0 | 117.8 | ||||
| 100 | G | 27.3 | Very low | 29.1 | Very low | 59 Ų | 59 | 138.5 Ų | 138.5 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | 147.2 | 147.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 101 | R | 28.8 | Very low | 29 | Very low | 257 Ų | 257 | 140.6 Ų | 140.6 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | trans | 82.9 | 152.3 | -174.7 | -51.1 | 164.3 | 174.2 | 178.8 | -2.4 | 115.2 | ||||
| 102 | G | 23.6 | Very low | 29 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 150.4 | 134.5 | -15.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 103 | L | 27.3 | Very low | 29.2 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | 80 | 142.7 | 156.1 | -67.6 | 166 | 0 | 0 | 0 | 123.4 | ||||
| 104 | S | 22.9 | Very low | 29.1 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 84.7 | 148.7 | 149.2 | -159.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 105 | V | 28.2 | Very low | 29 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | cis | 173.2 | 152 | -48.7 | 144.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 106 | N | 29.4 | Very low | 29 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | 73.4 | 154.4 | 168.3 | -79 | -9.8 | 0 | 0 | 0 | 118.8 | ||||
| 107 | S | 27.8 | Very low | 29.3 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | cis | -169.8 | 153.4 | -6.9 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 108 | F | 27.9 | Very low | 28.3 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | 25.2 | 130 | 147.9 | -75.9 | -90 | 0 | 0 | 0 | 123.8 | ||||
| 109 | H | 28.3 | Very low | 28.4 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | 174.2 | 174.6 | 104.2 | -112.3 | -80.1 | 0 | 0 | 0 | 113.5 | |||||
| 110 | G | 26.2 | Very low | 28.4 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | -168.3 | 160.5 | 171 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 111 | S | 26.1 | Very low | 28.4 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -172.6 | -177.6 | 178 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 112 | N | 27.8 | Very low | 29.5 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -155.5 | -171.1 | -175.7 | -142 | 6.6 | 0 | 0 | 0 | 108.8 | ||||
| 113 | P | 46.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 132 Ų | 132 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | cis | -142.3 | -177.6 | -8.1 | 41.9 | -21.2 | 0 | 0 | 0 | 118.3 | ||||
| 114 | Q | 28.1 | Very low | 29.7 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 85.8 | 150.2 | 138.8 | -125 | 178.3 | -48.2 | 0 | 0 | 125 | ||||
| 115 | E | 28.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | trans | 76 | 155.2 | 159.2 | -55.9 | -146.7 | 100.8 | 0 | 0 | 120.1 | ||||
| 116 | H | 27.7 | Very low | 29.8 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 58% | 0.583 | 75% | 0.752 | S | S | * | * | cis | -160.8 | 152.3 | 15.8 | -143.8 | 31.9 | 0 | 0 | 0 | 114.6 | ||||
| 117 | Q | 29.6 | Very low | 29.6 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | trans | 59.1 | 154.1 | 151.2 | -70.6 | 179.2 | 19.1 | 0 | 0 | 122 | ||||
| 118 | S | 30.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | -175 | -179.1 | -15.3 | 61.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 119 | E | 30.1 | Very low | 30.1 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | cis | -164.6 | 167.9 | -3.1 | -139.2 | -63.4 | 83.7 | 0 | 0 | 108.2 | ||||
| 120 | G | 25.6 | Very low | 30.1 | Very low | 57 Ų | 57 | 128.7 Ų | 128.7 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | trans | 144.6 | 109.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 121 | L | 27.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -140.3 | -163.4 | 176 | -125.7 | 81.1 | 0 | 0 | 0 | 110.4 | ||||
| 122 | P | 52 | Low | 30.2 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -122.9 | -178.3 | 1.7 | 42.5 | -24.3 | 0 | 0 | 0 | 114 | ||||
| 123 | S | 26.1 | Very low | 30.2 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -174.6 | 145.9 | 46.4 | 54 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 124 | R | 29 | Very low | 29.3 | Very low | 245 Ų | 245 | 127.2 Ų | 127.2 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | 28.2 | 147.8 | 131.2 | -94.7 | -176.5 | 165.3 | 162.7 | -4.1 | 121.9 | ||||
| 125 | A | 26.6 | Very low | 29.2 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | cis | -162 | 157.7 | 6.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 126 | K | 25.2 | Very low | 29.1 | Very low | 193 Ų | 193 | 126.1 Ų | 126.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 7.8 | 135.7 | 155.1 | -78.5 | -169.5 | 173 | -171.6 | 0 | 124.1 | ||||
| 127 | S | 25.7 | Very low | 29.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 70.7 | 165.9 | 136.2 | -59.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 128 | P | 40.7 | Very low | 29.1 | Very low | 128 Ų | 128 | 122 Ų | 122 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | cis | -135.6 | -146.2 | 14.8 | 45.4 | -25.6 | 0 | 0 | 0 | 114.7 | ||||
| 129 | A | 26.3 | Very low | 29 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -138.3 | 168.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 130 | S | 28.4 | Very low | 29.5 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 72.3 | 130.7 | 157.6 | 66.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 131 | A | 27.4 | Very low | 29.6 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | 117.9 | 127.9 | 127.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 132 | A | 25.9 | Very low | 29.6 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 90.2 | 156.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 133 | A | 27.7 | Very low | 28.6 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 68.5 | 122.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 134 | S | 27.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | 70.3 | 134.1 | 50.6 | 80.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 135 | G | 26.1 | Very low | 29 | Very low | 70 Ų | 70 | 116.3 Ų | 116.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 163.3 | 164 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 136 | Q | 27.6 | Very low | 29.1 | Very low | 214 Ų | 214 | 118.2 Ų | 118.2 | 100% | 1 | 79% | 0.789 | S | S | * | * | trans | 70.3 | 144.3 | 176.2 | -62.7 | -175.2 | -20.8 | 0 | 0 | 119.6 | ||||
| 137 | G | 26.7 | Very low | 29.2 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 156.8 | 125 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 138 | S | 29.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 130.6 | -160.9 | 59.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 139 | S | 28.3 | Very low | 28.9 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 62.2 | 167 | 154.3 | -114.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 140 | P | 40.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 117 Ų | 117 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -136.3 | 170.1 | 1.8 | 40.3 | -22.2 | 0 | 0 | 0 | 118.3 | ||||
| 141 | S | 27 | Very low | 29.1 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 64.5 | 124.4 | 143.3 | 60.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 142 | Q | 28.2 | Very low | 29.1 | Very low | 181 Ų | 181 | 121.5 Ų | 121.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | 68.4 | 140.2 | 151.8 | -80.4 | -177.5 | -32.5 | 0 | 0 | 119.3 | ||||
| 143 | P | 30.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | -140.9 | 177.3 | 83.5 | 41.7 | -28 | 0 | 0 | 0 | 115.7 | |||||
| 144 | P | 38.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -113 | 170.4 | 174.5 | 40.7 | -32.6 | 0 | 0 | 0 | 116.1 | ||||
| 145 | S | 25.1 | Very low | 30.3 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 67.2 | 96.3 | 148.4 | 60.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 146 | T | 28.4 | Very low | 30.3 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | 58.3 | 159 | 116.2 | 7.8 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 147 | D | 28.2 | Very low | 30.2 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 86.1 | 147 | 157.1 | -63 | -18.9 | 0 | 0 | 0 | 118.9 | ||||
| 148 | T | 26.7 | Very low | 30.2 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | cis | -152.5 | 132.5 | 13.2 | -11.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 149 | H | 33.3 | Very low | 29.9 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | 61 | 160.7 | 129.9 | -79.4 | -120.5 | 0 | 0 | 0 | 123.6 | |||||
| 150 | S | 30 | Very low | 30.9 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | cis | -177.5 | 178.4 | -14.5 | 55.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 151 | Q | 28 | Very low | 30.1 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 99.2 | 102.7 | 140.7 | -84.4 | 169.5 | -4.8 | 0 | 0 | 123.4 | ||||
| 152 | L | 29.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | 33 | 149.7 | 105.7 | -85.5 | 161.5 | 0 | 0 | 0 | 122.4 | |||||
| 153 | P | 45.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | -143.7 | 177.7 | 105.2 | 39.3 | -25.1 | 0 | 0 | 0 | 117.2 | |||||
| 154 | H | 31.9 | Very low | 31 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | trans | -85.3 | -176.8 | -179.1 | -55.3 | -87 | 0 | 0 | 0 | 113.1 | ||||
| 155 | T | 27.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | cis | -171.1 | 148.7 | 26.4 | -25 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 156 | R | 26.8 | Very low | 30.5 | Very low | 242 Ų | 242 | 141 Ų | 141 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | 178 | 172.8 | 118.7 | -105 | -178.8 | 172.1 | 163.1 | -0.4 | 114.2 | |||||
| 157 | T | 24.9 | Very low | 30.3 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -125.5 | 148.6 | -158.5 | 46.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 158 | H | 27.2 | Very low | 30.2 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | 172.2 | 163.7 | 126.3 | -98.1 | -72.7 | 0 | 0 | 0 | 113.8 | |||||
| 159 | T | 22.8 | Very low | 30.4 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -158.6 | 168.8 | 179.9 | 31.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 160 | P | 50.4 | Low | 30.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -133.1 | -177.8 | -12 | 39.1 | -21.4 | 0 | 0 | 0 | 115.8 | ||||
| 161 | E | 23.5 | Very low | 30.5 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | 65.1 | 160.5 | 149.7 | -84 | 177.9 | -169.4 | 0 | 0 | 122.1 | ||||
| 162 | P | 52.5 | Low | 31.2 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -135.8 | -156.5 | -24.3 | 35.2 | -13.1 | 0 | 0 | 0 | 114.2 | ||||
| 163 | E | 24.3 | Very low | 31.1 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 80.1 | 110.3 | 172.6 | -58.4 | -178.6 | 178.2 | 0 | 0 | 115.9 | ||||
| 164 | A | 26.1 | Very low | 30.8 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 88.3 | 138.8 | 71.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 165 | E | 25.8 | Very low | 30.9 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | cis | -144.3 | 164.1 | 19.8 | -65.5 | -174.6 | 105.7 | 0 | 0 | 114.4 | ||||
| 166 | I | 28.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | 46.6 | 130.8 | 131.2 | -65.1 | 170.1 | 0 | 0 | 0 | 119.7 | ||||
| 167 | T | 24.6 | Very low | 32.1 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -151.8 | 149.8 | 4.6 | -3.1 | 0 | 0 | 0 | 0 | 111.5 | V169 | T167-V169 HydrophobicContact CG2-CG2 4.18Š| ||
| 168 | T | 25.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -135.5 | 132.1 | 139 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 169 | V | 29.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -102.7 | 117.4 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | T167 | T167-V169 HydrophobicContact CG2-CG2 4.18Š| ||
| 170 | P | 39.8 | Very low | 34.8 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -78.5 | 130.3 | 157.9 | 32.4 | -28.1 | 0 | 0 | 0 | 107.8 | ||||
| 171 | D | 26.2 | Very low | 35 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -108.6 | 147.4 | 159 | -144.3 | -20.2 | 0 | 0 | 0 | 109.1 | ||||
| 172 | V | 42.2 | Very low | 37 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | trans | -109 | 122.7 | -175.1 | 173.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 173 | D | 28 | Very low | 37.8 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | trans | -132.7 | 154.2 | 158.3 | -134.1 | -32 | 0 | 0 | 0 | 112.5 | ||||
| 174 | T | 39.7 | Very low | 40.3 | Very low | 120 Ų | 120 | 110.5 Ų | 110.5 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | trans | -107.4 | 89.6 | -156.4 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | T176 | T174-T176 PolarHBondContact O-N 3.21Š| ||
| 175 | E | 32.7 | Very low | 43 | Very low | 171 Ų | 171 | 113.5 Ų | 113.5 | 80% | 0.799 | 67% | 0.667 | S | S | * | * | trans | -71.1 | 127.2 | 173.7 | -69 | -156.5 | 143.9 | 0 | 0 | 112.2 | ||||
| 176 | T | 34 | Very low | 45.8 | Very low | 108 Ų | 108 | 107.3 Ų | 107.3 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | trans | -70 | 161 | 167.1 | 39.5 | 0 | 0 | 0 | 0 | 110.7 | T174 L178 | T174-T176 PolarHBondContact O-N 3.21Å; T176-L178 PolarHBondContact O-N 2.77Å | ||
| 177 | P | 46.1 | Very low | 48.7 | Very low | 136 Ų | 136 | 106.5 Ų | 106.5 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | trans | -68.3 | 96.4 | -175.9 | 27.4 | -35.6 | 0 | 0 | 0 | 112.1 | ||||
| 178 | L | 37.9 | Very low | 51.8 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | trans | -79.6 | 131.6 | 177.1 | -81.2 | 150.1 | 0 | 0 | 0 | 111.9 | T176 | T176-L178 PolarHBondContact O-N 2.77Š| ||
| 179 | S | 45.4 | Very low | 54.7 | Low | 49 Ų | 49 | 100.8 Ų | 100.8 | 34% | 0.343 | 60% | 0.603 | S | S | . | * | trans | 38.1 | 103.3 | 158.2 | 59.2 | 0 | 0 | 0 | 0 | 118 | A181 G206 | S179-A181 PolarHBondContact O-N 3.44Å; S179-G206 WeakPolarHBondContact CB-O 3.06Å | ||
| 180 | A | 48.3 | Very low | 57.5 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | trans | -68 | 102.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S182 L207 | A180-S182 PolarHBondContact O-N 3.08Å; A180-L207 WeakPolarHBondContact O-CD2 3.31Å | ||
| 181 | A | 53.8 | Low | 59.7 | Low | 65 Ų | 65 | 97 Ų | 97 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | trans | -56.1 | 133.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S179 | S179-A181 PolarHBondContact O-N 3.44Š| ||
| 182 | S | 65.5 | Low | 62.8 | Low | 26 Ų | 26 | 94.8 Ų | 94.8 | 18% | 0.182 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.2 | 177.1 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | A180 L203 F208 L209 H210 | A180-S182 PolarHBondContact O-N 3.08Å; S182-L203 VanDerWaalsContact OG-CD2 3.3Å; S182-L203 WeakPolarHBondContact OG-CD2 3.48Å; S182-F208 PolarHBondContact N-O 2.91Å; S182-F208 PolarHBondContact OG-O 3.42Å; S182-L209 WeakPolarHBondContact OG-CA 3.37Å; S182-L209 WeakPolarHBondContact OG-CD1 3.48Å; S182-H210 PolarHBondContact O-N 2.03Å |
| 183 | S | 69.4 | Low | 65.1 | Low | 97 Ų | 97 | 90 Ų | 90 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.9 | 175.6 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | H210 | S183-H210 CarbonylContact C-O 3.55Å; S183-H210 WeakPolarHBondContact CA-O 3.39Å |
| 184 | C | 78.2 | Confident | 68.1 | Low | 29 Ų | 29 | 88 Ų | 88 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.4 | 175.4 | 103.4 | 0 | 0 | 0 | 0 | 110.4 | L209 H210 C211 T212 | C184-L209 HydrophobicContact CB-CD1 4.36Å; C184-H210 PolarHBondContact N-O 3.39Å; C184-C211 HydrophobicContact CB-CB 4.29Å; C184-C211 WeakPolarHBondContact CB-SG 3.23Å; C184-C211 CarbonylContact O-C 3.46Å; C184-C211 WeakPolarHBondContact O-CA 3.35Å; C184-C211 VanDerWaalsContact SG-CA 3.58Å; C184-C211 WeakPolarHBondContact SG-CB 3.43Å; C184-C211 CovalentContact SG-SG 2.04Å; C184-C211 PolarHBondContact SG-SG 3.5Å; C184-T212 PolarHBondContact O-N 2.91Å |
| 185 | M | 81.4 | Confident | 70.4 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 78% | 0.783 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.7 | 174.2 | -70.9 | -177 | -71.3 | 0 | 0 | 108.4 | T212 | M185-T212 WeakPolarHBondContact CA-O 3.32Å |
| 186 | V | 84.8 | Confident | 72.8 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.3 | -177.6 | -175 | 0 | 0 | 0 | 0 | 107.6 | F188 T212 Y213 T214 | V186-F188 HydrophobicContact CB-CE2 4.31Å; V186-F188 HydrophobicContact CG1-CD2 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.39Å; V186-F188 HydrophobicContact CG1-CE2 3.64Å; V186-F188 HydrophobicContact CG1-CZ 3.66Å; V186-T212 PolarHBondContact N-O 3.5Å; V186-Y213 HydrophobicContact CB-CD1 3.82Å; V186-Y213 HydrophobicContact CB-CE1 4.42Å; V186-Y213 HydrophobicContact CG1-CD1 4.37Å; V186-Y213 HydrophobicContact CG2-CD1 4.02Å; V186-Y213 HydrophobicContact CG2-CE1 4.13Å; V186-Y213 CarbonylContact O-C 3.44Å; V186-Y213 VanDerWaalsContact O-CA 3.29Å; V186-Y213 WeakPolarHBondContact O-CA 3.2Å; V186-T214 PolarHBondContact O-N 3.28Å |
| 187 | N | 89.6 | Confident | 74.8 | Confident | 120 Ų | 120 | 71 Ų | 71 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134 | -178 | -67.3 | -15.4 | 0 | 0 | 0 | 110.4 | T214 | N187-T214 CarbonylContact C-O 3.44Å; N187-T214 VanDerWaalsContact CA-O 3.28Å; N187-T214 WeakPolarHBondContact CA-O 3.22Å; N187-T214 VanDerWaalsContact OD1-CB 3.31Å; N187-T214 WeakPolarHBondContact OD1-CB 3.25Å; N187-T214 PolarHBondContact OD1-OG1 3.21Å; N187-T214 VanDerWaalsContact OD1-OG1 3.1Å |
| 188 | F | 88.4 | Confident | 75.7 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 18% | 0.18 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144 | 179.6 | -58.7 | -89.5 | 0 | 0 | 0 | 110.5 | V186 I195 Y213 T214 V215 T216 Y290 | V186-F188 HydrophobicContact CB-CE2 4.31Å; V186-F188 HydrophobicContact CG1-CD2 4.38Å; V186-F188 HydrophobicContact CG1-CE1 4.39Å; V186-F188 HydrophobicContact CG1-CE2 3.64Å; V186-F188 HydrophobicContact CG1-CZ 3.66Å; F188-I195 HydrophobicContact CD2-CG1 4.35Å; F188-I195 HydrophobicContact CE2-CD1 4.37Å; F188-I195 HydrophobicContact CE2-CG1 3.8Å; F188-I195 HydrophobicContact CZ-CG1 4.1Å; F188-Y213 HydrophobicContact CE2-CD1 4.18Å; F188-T214 PolarHBondContact N-O 3.21Å; F188-V215 HydrophobicContact CB-CG1 4.39Å; F188-V215 HydrophobicContact CB-CG2 4.23Å; F188-V215 HydrophobicContact CD2-CG2 4.16Å; F188-T216 PolarHBondContact O-N 2.88Å; F188-T216 PolarHBondContact O-OG1 2.7Å; F188-Y290 HydrophobicContact CB-CE1 4.43Å; F188-Y290 WeakPolarHBondContact CB-OH 3.35Å; F188-Y290 HydrophobicContact CD1-CE1 4.18Å; F188-Y290 WeakPolarHBondContact CD1-OH 3.3Å; F188-Y290 HydrophobicContact CG-CE1 4.18Å |
| 189 | S | 88.6 | Confident | 76.8 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | trans | -131.7 | -0.7 | 180 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | T216 | S189-T216 WeakPolarHBondContact CA-O 3.4Š| ||
| 190 | D | 88.3 | Confident | 77.1 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -76.6 | 155.3 | -177.7 | -61.6 | -72.8 | 0 | 0 | 0 | 111.4 | E192 | D190-E192 VanDerWaalsContact C-N 3.25Å; D190-E192 PolarHBondContact O-N 2.79Å |
| 191 | P | 85.1 | Confident | 77.2 | Confident | 67 Ų | 67 | 72 Ų | 72 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -71.5 | -20.6 | -178.9 | 29.5 | -35.8 | 0 | 0 | 0 | 113.2 | Q291 I292 | P191-Q291 CarbonylContact O-C 3.06Å; P191-Q291 WeakPolarHBondContact O-CA 3.36Å; P191-I292 HydrophobicContact CB-CD1 3.75Å; P191-I292 HydrophobicContact CB-CG1 3.96Å; P191-I292 HydrophobicContact CB-CG2 4.31Å; P191-I292 WeakPolarHBondContact O-CG1 3.37Å; P191-I292 PolarHBondContact O-N 3.09Å |
| 192 | E | 91.8 | Very high | 77 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 147.3 | 177.7 | -169.3 | -173.2 | 164.9 | 0 | 0 | 109.1 | D190 H289 Y290 Q291 | D190-E192 VanDerWaalsContact C-N 3.25Å; D190-E192 PolarHBondContact O-N 2.79Å; E192-H289 IonicContact OE1-CD2 2.7Å; E192-H289 IonicContact OE1-CE1 3.89Å; E192-H289 IonicContact OE1-NE2 2.68Å; E192-H289 PolarHBondContact OE1-NE2 2.86Å; E192-Y290 CarbonylContact C-O 3.56Å; E192-Y290 VanDerWaalsContact CA-O 3.29Å; E192-Y290 WeakPolarHBondContact CA-O 3.45Å; E192-Y290 WeakPolarHBondContact CG-O 3.35Å; E192-Q291 HydrophobicContact CG-CB 4.15Å |
| 193 | G | 91 | Very high | 76.4 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 17% | 0.165 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -180 | -171 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H289 Y290 | G193-H289 PolarHBondContact O-CD2 2.87Å; G193-Y290 VanDerWaalsContact CA-CZ 3.5Å; G193-Y290 PolarHBondContact N-O 3.02Å; G193-Y290 VanDerWaalsContact O-CD1 3.31Å; G193-Y290 WeakPolarHBondContact O-CD1 3.18Å; G193-Y290 PolarHBondContact O-N 2.92Å |
| 194 | Y | 90.2 | Very high | 75.6 | Confident | 115 Ų | 115 | 76 Ų | 76 | 45% | 0.451 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143 | 179.8 | -69.6 | -103.2 | 0 | 0 | 0 | 109.9 | K228 Q287 L288 H289 | Y194-K228 HydrophobicContact CE1-CG 4.44Å; Y194-Q287 HydrophobicContact CD1-CG 4.25Å; Y194-L288 CarbonylContact C-O 3.5Å; Y194-L288 WeakPolarHBondContact CA-O 3.39Å; Y194-H289 HydrophobicContact CD1-CB 3.98Å; Y194-H289 HydrophobicContact CE1-CB 3.65Å; Y194-H289 AromaticContact CE1-CD2 3.82Å; Y194-H289 AromaticContact CE1-CG 3.87Å; Y194-H289 AromaticContact CE2-CD2 3.51Å; Y194-H289 AromaticContact CZ-CD2 3.35Å; Y194-H289 AromaticContact CZ-CG 3.78Å; Y194-H289 AromaticContact CZ-NE2 3.98Å |
| 195 | I | 88.3 | Confident | 74.1 | Confident | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.005 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.4 | 168.6 | -58.1 | 168.5 | 0 | 0 | 0 | 105.8 | F188 Y213 V215 V273 F286 L288 Y290 | F188-I195 HydrophobicContact CD2-CG1 4.35Å; F188-I195 HydrophobicContact CE2-CD1 4.37Å; F188-I195 HydrophobicContact CE2-CG1 3.8Å; F188-I195 HydrophobicContact CZ-CG1 4.1Å; I195-Y213 HydrophobicContact CG2-CD1 3.55Å; I195-Y213 HydrophobicContact CG2-CD2 4.07Å; I195-Y213 HydrophobicContact CG2-CE1 3.94Å; I195-Y213 HydrophobicContact CG2-CE2 4.44Å; I195-Y213 HydrophobicContact CG2-CG 3.61Å; I195-V215 HydrophobicContact CD1-CG2 3.85Å; I195-V273 HydrophobicContact CD1-CG2 3.94Å; I195-F286 HydrophobicContact CG2-CE2 4.23Å; I195-L288 HydrophobicContact CB-CB 4.4Å; I195-L288 PolarHBondContact N-O 2.86Å; I195-L288 PolarHBondContact O-N 2.8Å; I195-Y290 HydrophobicContact CD1-CD1 4.15Å; I195-Y290 HydrophobicContact CG1-CD1 3.9Å; I195-Y290 HydrophobicContact CG1-CE1 4.07Å |
| 196 | D | 83.4 | Confident | 72.7 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.144 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.2 | 175.5 | -152 | -54.4 | 0 | 0 | 0 | 111.4 | S198 F286 Q287 | D196-S198 PolarHBondContact O-N 2.71Å; D196-S198 PolarHBondContact OD1-N 3.36Å; D196-S198 PolarHBondContact OD1-OG 3.05Å; D196-F286 WeakPolarHBondContact CA-O 3.45Å; D196-Q287 WeakPolarHBondContact OD2-CG 3.05Å; D196-Q287 PolarHBondContact OD2-NE2 2.7Å |
| 197 | S | 74.7 | Confident | 71.4 | Confident | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.112 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.4 | 162.4 | 53.1 | 0 | 0 | 0 | 0 | 115 | D199 F286 | S197-D199 PolarHBondContact O-N 3.07Å; S197-F286 PolarHBondContact N-O 2.84Å; S197-F286 PolarHBondContact OG-N 2.9Å; S197-F286 PolarHBondContact OG-O 2.9Å |
| 198 | S | 65.1 | Low | 70.1 | Confident | 75 Ų | 75 | 73.8 Ų | 73.8 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.8 | -172.9 | 56.9 | 0 | 0 | 0 | 0 | 116.1 | D196 N200 | D196-S198 PolarHBondContact O-N 2.71Å; D196-S198 PolarHBondContact OD1-N 3.36Å; D196-S198 PolarHBondContact OD1-OG 3.05Å; S198-N200 VanDerWaalsContact C-N 3.3Å; S198-N200 PolarHBondContact O-N 2.64Å; S198-N200 VanDerWaalsContact O-N 3.12Å |
| 199 | D | 61.5 | Low | 69.4 | Low | 125 Ų | 125 | 72.9 Ų | 72.9 | 67% | 0.668 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -91.4 | 28.1 | -155.4 | -73 | 5.3 | 0 | 0 | 0 | 114.9 | S197 | S197-D199 PolarHBondContact O-N 3.07Š|
| 200 | N | 51.7 | Low | 69.2 | Low | 114 Ų | 114 | 70.9 Ų | 70.9 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -150.3 | 154.2 | 162 | -102.2 | -58.4 | 0 | 0 | 0 | 112.6 | S198 | S198-N200 VanDerWaalsContact C-N 3.3Å; S198-N200 PolarHBondContact O-N 2.64Å; S198-N200 VanDerWaalsContact O-N 3.12Å |
| 201 | P | 50.8 | Low | 69 | Low | 99 Ų | 99 | 66.8 Ų | 66.8 | 64% | 0.643 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 161.4 | -163 | 31 | -36.1 | 0 | 0 | 0 | 114.7 | ||
| 202 | P | 49.4 | Very low | 69.1 | Low | 118 Ų | 118 | 65.5 Ų | 65.5 | 77% | 0.766 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 149 | -171 | 27.3 | -36.8 | 0 | 0 | 0 | 114.3 | ||
| 203 | L | 52.6 | Low | 68.9 | Low | 61 Ų | 61 | 61.5 Ų | 61.5 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 153.3 | 175.2 | -76.1 | 143.6 | 0 | 0 | 0 | 112 | S182 L209 | S182-L203 VanDerWaalsContact OG-CD2 3.3Å; S182-L203 WeakPolarHBondContact OG-CD2 3.48Å; L203-L209 HydrophobicContact CD1-CB 3.7Å; L203-L209 HydrophobicContact CD1-CD1 4.18Å; L203-L209 HydrophobicContact CD1-CD2 4Å; L203-L209 HydrophobicContact CD1-CG 4.17Å |
| 204 | P | 53 | Low | 68.9 | Low | 91 Ų | 91 | 62.2 Ų | 62.2 | 59% | 0.591 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 151.9 | 168 | 32.5 | -34.7 | 0 | 0 | 0 | 111.4 | L207 | P204-L207 HydrophobicContact CG-CD1 4.11Š|
| 205 | D | 47.5 | Very low | 68.9 | Low | 163 Ų | 163 | 56.7 Ų | 56.7 | 87% | 0.872 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.5 | -172.9 | -52.7 | -58 | 0 | 0 | 0 | 113.5 | ||
| 206 | G | 51.1 | Low | 68.9 | Low | 43 Ų | 43 | 59.7 Ų | 59.7 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 14.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S179 | S179-G206 WeakPolarHBondContact CB-O 3.06Š|
| 207 | L | 57.3 | Low | 69.2 | Low | 42 Ų | 42 | 58.9 Ų | 58.9 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | trans | -114 | 130.4 | 171.5 | -60.1 | -173.7 | 0 | 0 | 0 | 112.2 | A180 P204 | A180-L207 WeakPolarHBondContact O-CD2 3.31Å; P204-L207 HydrophobicContact CG-CD1 4.11Å | ||
| 208 | F | 62.9 | Low | 69.6 | Low | 52 Ų | 52 | 63.8 Ų | 63.8 | 23% | 0.228 | 37% | 0.365 | C | S | . | . | trans | -76.6 | 146.2 | 170.8 | -55.5 | -108.9 | 0 | 0 | 0 | 110.7 | S182 P279 | S182-F208 PolarHBondContact N-O 2.91Å; S182-F208 PolarHBondContact OG-O 3.42Å; F208-P279 HydrophobicContact CE1-CB 3.59Å; F208-P279 HydrophobicContact CE1-CG 3.7Å; F208-P279 HydrophobicContact CZ-CB 3.76Å; F208-P279 HydrophobicContact CZ-CG 4.22Å | ||
| 209 | L | 74.1 | Confident | 70.4 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.2 | 173.7 | -178.7 | 57.6 | 0 | 0 | 0 | 111.2 | S182 C184 L203 R276 S277 M283 | S182-L209 WeakPolarHBondContact OG-CA 3.37Å; S182-L209 WeakPolarHBondContact OG-CD1 3.48Å; C184-L209 HydrophobicContact CB-CD1 4.36Å; L203-L209 HydrophobicContact CD1-CB 3.7Å; L203-L209 HydrophobicContact CD1-CD1 4.18Å; L203-L209 HydrophobicContact CD1-CD2 4Å; L203-L209 HydrophobicContact CD1-CG 4.17Å; L209-R276 VanDerWaalsContact O-CA 3.31Å; L209-R276 WeakPolarHBondContact O-CA 3.46Å; L209-S277 PolarHBondContact N-OG 3Å; L209-S277 PolarHBondContact O-N 2.87Å; L209-M283 HydrophobicContact CD2-SD 4.25Å |
| 210 | H | 83.1 | Confident | 71.1 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 21% | 0.208 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 99.1 | 172.7 | -74.2 | -119 | 0 | 0 | 0 | 109.5 | S182 S183 C184 Y274 Y275 R276 | S182-H210 PolarHBondContact O-N 2.03Å; S183-H210 CarbonylContact C-O 3.55Å; S183-H210 WeakPolarHBondContact CA-O 3.39Å; C184-H210 PolarHBondContact N-O 3.39Å; H210-Y274 AromaticContact ND1-CZ 3.98Å; H210-Y274 PolarHBondContact ND1-OH 2.83Å; H210-Y275 CarbonylContact C-O 3.55Å; H210-R276 PolarHBondContact CE1-NE 2.91Å; H210-R276 PolarHBondContact NE2-NE 3.22Å |
| 211 | C | 84.1 | Confident | 72.6 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.8 | -178.2 | -86.4 | 0 | 0 | 0 | 0 | 112.2 | C184 Y213 Y274 Y275 | C184-C211 HydrophobicContact CB-CB 4.29Å; C184-C211 WeakPolarHBondContact CB-SG 3.23Å; C184-C211 CarbonylContact O-C 3.46Å; C184-C211 WeakPolarHBondContact O-CA 3.35Å; C184-C211 VanDerWaalsContact SG-CA 3.58Å; C184-C211 WeakPolarHBondContact SG-CB 3.43Å; C184-C211 CovalentContact SG-SG 2.04Å; C184-C211 PolarHBondContact SG-SG 3.5Å; C211-Y213 HydrophobicContact CB-CD2 4.33Å; C211-Y213 HydrophobicContact CB-CE2 3.6Å; C211-Y274 WeakPolarHBondContact O-CA 3.21Å; C211-Y275 PolarHBondContact N-O 2.88Å; C211-Y275 PolarHBondContact O-N 2.85Å |
| 212 | T | 86.8 | Confident | 74.3 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 113.8 | 170.5 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | C184 M185 V186 V273 | C184-T212 PolarHBondContact O-N 2.91Å; M185-T212 WeakPolarHBondContact CA-O 3.32Å; V186-T212 PolarHBondContact N-O 3.5Å; T212-V273 WeakPolarHBondContact CA-O 3.29Å |
| 213 | Y | 89.3 | Confident | 76.2 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.5 | 177 | -53.4 | -99 | 0 | 0 | 0 | 108.3 | V186 F188 I195 C211 S272 V273 F286 | V186-Y213 HydrophobicContact CB-CD1 3.82Å; V186-Y213 HydrophobicContact CB-CE1 4.42Å; V186-Y213 HydrophobicContact CG1-CD1 4.37Å; V186-Y213 HydrophobicContact CG2-CD1 4.02Å; V186-Y213 HydrophobicContact CG2-CE1 4.13Å; V186-Y213 CarbonylContact O-C 3.44Å; V186-Y213 VanDerWaalsContact O-CA 3.29Å; V186-Y213 WeakPolarHBondContact O-CA 3.2Å; F188-Y213 HydrophobicContact CE2-CD1 4.18Å; I195-Y213 HydrophobicContact CG2-CD1 3.55Å; I195-Y213 HydrophobicContact CG2-CD2 4.07Å; I195-Y213 HydrophobicContact CG2-CE1 3.94Å; I195-Y213 HydrophobicContact CG2-CE2 4.44Å; I195-Y213 HydrophobicContact CG2-CG 3.61Å; C211-Y213 HydrophobicContact CB-CD2 4.33Å; C211-Y213 HydrophobicContact CB-CE2 3.6Å; Y213-S272 CarbonylContact O-C 3.59Å; Y213-S272 VanDerWaalsContact O-CA 3.27Å; Y213-S272 WeakPolarHBondContact O-CA 3.27Å; Y213-V273 HydrophobicContact CD2-CB 4.41Å; Y213-V273 PolarHBondContact N-O 3.1Å; Y213-V273 PolarHBondContact O-N 2.87Å; Y213-F286 HydrophobicContact CE2-CE2 4.08Å; Y213-F286 AromaticContact CE2-CZ 3.79Å; Y213-F286 HydrophobicContact CE2-CZ 3.79Å |
| 214 | T | 89.3 | Confident | 78 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.3 | -178.4 | -35.9 | 0 | 0 | 0 | 0 | 110.2 | V186 N187 F188 T216 L271 | V186-T214 PolarHBondContact O-N 3.28Å; N187-T214 CarbonylContact C-O 3.44Å; N187-T214 VanDerWaalsContact CA-O 3.28Å; N187-T214 WeakPolarHBondContact CA-O 3.22Å; N187-T214 VanDerWaalsContact OD1-CB 3.31Å; N187-T214 WeakPolarHBondContact OD1-CB 3.25Å; N187-T214 PolarHBondContact OD1-OG1 3.21Å; N187-T214 VanDerWaalsContact OD1-OG1 3.1Å; F188-T214 PolarHBondContact N-O 3.21Å; T214-T216 HydrophobicContact CG2-CG2 4.05Å; T214-L271 CarbonylContact C-O 3.45Å; T214-L271 WeakPolarHBondContact CA-O 3.33Å |
| 215 | V | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.6 | 171.2 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | F188 I195 V217 V223 S270 L271 Y290 | F188-V215 HydrophobicContact CB-CG1 4.39Å; F188-V215 HydrophobicContact CB-CG2 4.23Å; F188-V215 HydrophobicContact CD2-CG2 4.16Å; I195-V215 HydrophobicContact CD1-CG2 3.85Å; V215-V217 HydrophobicContact CG1-CG1 4.19Å; V215-V223 HydrophobicContact CB-CG1 4.06Å; V215-V223 HydrophobicContact CB-CG2 3.95Å; V215-V223 HydrophobicContact CG1-CB 4.44Å; V215-V223 HydrophobicContact CG1-CG1 3.87Å; V215-V223 HydrophobicContact CG1-CG2 3.65Å; V215-S270 WeakPolarHBondContact O-CA 3.28Å; V215-L271 PolarHBondContact N-O 2.98Å; V215-L271 PolarHBondContact O-N 2.97Å; V215-Y290 HydrophobicContact CG1-CD2 3.63Å; V215-Y290 HydrophobicContact CG1-CE2 3.71Å; V215-Y290 HydrophobicContact CG1-CG 4.23Å; V215-Y290 HydrophobicContact CG2-CD1 4.1Å; V215-Y290 HydrophobicContact CG2-CD2 4.31Å; V215-Y290 HydrophobicContact CG2-CE1 4.3Å; V215-Y290 HydrophobicContact CG2-CG 4.11Å |
| 216 | T | 88.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 35.8 Ų | 35.8 | 39% | 0.387 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.7 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | F188 S189 T214 | F188-T216 PolarHBondContact O-N 2.88Å; F188-T216 PolarHBondContact O-OG1 2.7Å; S189-T216 WeakPolarHBondContact CA-O 3.4Å; T214-T216 HydrophobicContact CG2-CG2 4.05Å |
| 217 | V | 88.5 | Confident | 83.8 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | trans | -109.6 | 170.5 | -176 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | V215 Y221 V223 N269 I292 | V215-V217 HydrophobicContact CG1-CG1 4.19Å; V217-Y221 WeakPolarHBondContact CG2-O 3.26Å; V217-V223 HydrophobicContact CG1-CG2 3.96Å; V217-V223 HydrophobicContact CG2-CG2 3.99Å; V217-N269 HydrophobicContact CG2-CB 4.22Å; V217-N269 PolarHBondContact N-O 3.3Å; V217-N269 PolarHBondContact O-ND2 3.44Å; V217-I292 HydrophobicContact CB-CG2 3.87Å; V217-I292 HydrophobicContact CG1-CG2 3.63Å; V217-I292 HydrophobicContact CG2-CG2 4.24Å | ||
| 218 | Y | 84.3 | Confident | 85.2 | Confident | 119 Ų | 119 | 34.7 Ų | 34.7 | 47% | 0.467 | 17% | 0.174 | S | C | . | . | trans | -72.5 | 156.5 | -176.6 | 56 | -85.7 | 0 | 0 | 0 | 112.6 | Y221 I292 | Y218-Y221 AromaticContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CE2 4.15Å; Y218-Y221 HydrophobicContact CD2-CG 4.32Å; Y218-Y221 HydrophobicContact CE2-CD1 4.46Å; Y218-Y221 AromaticContact CE2-CD2 3.17Å; Y218-Y221 HydrophobicContact CE2-CD2 3.17Å; Y218-Y221 AromaticContact CE2-CE2 3.4Å; Y218-Y221 HydrophobicContact CE2-CE2 3.4Å; Y218-Y221 VanDerWaalsContact CE2-CE2 3.4Å; Y218-Y221 AromaticContact CE2-CG 3.78Å; Y218-Y221 HydrophobicContact CE2-CG 3.78Å; Y218-Y221 AromaticContact CZ-CD2 3.93Å; Y218-Y221 PolarHBondContact O-N 2.93Å; Y218-I292 HydrophobicContact CE1-CD1 4.15Å; Y218-I292 WeakPolarHBondContact OH-CD1 3.4Å | ||
| 219 | T | 81 | Confident | 86.3 | Confident | 96 Ų | 96 | 35.7 Ų | 35.7 | 59% | 0.589 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 147.2 | -173.1 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | Y221 | T219-Y221 VanDerWaalsContact C-N 3.29Š|
| 220 | G | 76.5 | Confident | 86.8 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -8.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L295 A340 | G220-L295 PolarHBondContact O-N 2.94Å; G220-A340 WeakPolarHBondContact CA-O 3.11Å; G220-A340 PolarHBondContact N-O 2.87Å |
| 221 | Y | 83.8 | Confident | 86.8 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.2 | -178.5 | -66.1 | -102.1 | 0 | 0 | 0 | 111 | V217 Y218 T219 N269 I292 F293 R294 L295 | V217-Y221 WeakPolarHBondContact CG2-O 3.26Å; Y218-Y221 AromaticContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CD2 3.62Å; Y218-Y221 HydrophobicContact CD2-CE2 4.15Å; Y218-Y221 HydrophobicContact CD2-CG 4.32Å; Y218-Y221 HydrophobicContact CE2-CD1 4.46Å; Y218-Y221 AromaticContact CE2-CD2 3.17Å; Y218-Y221 HydrophobicContact CE2-CD2 3.17Å; Y218-Y221 AromaticContact CE2-CE2 3.4Å; Y218-Y221 HydrophobicContact CE2-CE2 3.4Å; Y218-Y221 VanDerWaalsContact CE2-CE2 3.4Å; Y218-Y221 AromaticContact CE2-CG 3.78Å; Y218-Y221 HydrophobicContact CE2-CG 3.78Å; Y218-Y221 AromaticContact CZ-CD2 3.93Å; Y218-Y221 PolarHBondContact O-N 2.93Å; T219-Y221 VanDerWaalsContact C-N 3.29Å; Y221-N269 VanDerWaalsContact O-CA 3.24Å; Y221-N269 WeakPolarHBondContact O-CA 3.35Å; Y221-N269 WeakPolarHBondContact O-CB 3.45Å; Y221-I292 HydrophobicContact CD1-CB 4.28Å; Y221-I292 HydrophobicContact CD1-CD1 4.24Å; Y221-F293 CarbonylContact C-O 3.5Å; Y221-F293 WeakPolarHBondContact CA-O 3.49Å; Y221-F293 WeakPolarHBondContact CB-O 3.25Å; Y221-F293 WeakPolarHBondContact CD1-O 3.35Å; Y221-R294 HydrophobicContact CD1-CB 4.22Å; Y221-R294 HydrophobicContact CE1-CB 4.03Å; Y221-R294 HydrophobicContact CE1-CG 4.16Å; Y221-L295 VanDerWaalsContact O-CD1 3.3Å; Y221-L295 WeakPolarHBondContact O-CD1 3.3Å |
| 222 | G | 87 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110 | I292 F293 | G222-I292 WeakPolarHBondContact O-CA 3.33Å; G222-F293 VanDerWaalsContact C-CD1 3.47Å; G222-F293 PolarHBondContact N-O 3.36Å; G222-F293 WeakPolarHBondContact O-CD1 3.47Å; G222-F293 PolarHBondContact O-N 3.18Å |
| 223 | V | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | V215 V217 S266 L271 | V215-V223 HydrophobicContact CB-CG1 4.06Å; V215-V223 HydrophobicContact CB-CG2 3.95Å; V215-V223 HydrophobicContact CG1-CB 4.44Å; V215-V223 HydrophobicContact CG1-CG1 3.87Å; V215-V223 HydrophobicContact CG1-CG2 3.65Å; V217-V223 HydrophobicContact CG1-CG2 3.96Å; V217-V223 HydrophobicContact CG2-CG2 3.99Å; V223-S266 PolarHBondContact N-OG 3.36Å; V223-S266 PolarHBondContact O-N 3.35Å; V223-S266 PolarHBondContact O-OG 3.44Å; V223-L271 HydrophobicContact CB-CB 3.77Å; V223-L271 HydrophobicContact CB-CD1 4.41Å; V223-L271 HydrophobicContact CG1-CB 4.12Å; V223-L271 HydrophobicContact CG1-CD1 4.47Å; V223-L271 HydrophobicContact CG1-CD2 4.45Å; V223-L271 HydrophobicContact CG2-CB 4.05Å |
| 224 | E | 90.3 | Very high | 85.2 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.1 | 164.3 | -178.2 | 174.7 | 96 | 0 | 0 | 107.8 | V263 R265 Y290 Q291 F293 | E224-V263 VanDerWaalsContact CD-CG1 3.45Å; E224-V263 HydrophobicContact CG-CG1 3.32Å; E224-R265 HydrophobicContact CB-CG 4.2Å; E224-R265 HydrophobicContact CG-CG 4.04Å; E224-R265 IonicContact OE2-CZ 3.97Å; E224-R265 IonicContact OE2-NE 3.87Å; E224-R265 PolarHBondContact OE2-NE 3.34Å; E224-R265 IonicContact OE2-NH2 3.36Å; E224-R265 PolarHBondContact OE2-NH2 2.87Å; E224-Y290 CarbonylContact O-C 3.57Å; E224-Y290 VanDerWaalsContact O-CA 3.25Å; E224-Y290 WeakPolarHBondContact O-CA 3.31Å; E224-Q291 HydrophobicContact CB-CG 4.15Å; E224-Q291 PolarHBondContact N-O 3.19Å; E224-Q291 PolarHBondContact O-N 3.3Å; E224-Q291 PolarHBondContact OE1-NE2 3.47Å; E224-F293 HydrophobicContact CB-CB 4.25Å; E224-F293 HydrophobicContact CB-CD1 3.89Å; E224-F293 HydrophobicContact CB-CG 4.4Å |
| 225 | L | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.4 | -178.8 | -176.9 | 160.6 | 0 | 0 | 0 | 109.1 | V227 I240 V263 I264 L271 V273 L288 H289 | L225-V227 HydrophobicContact CD2-CG2 4.47Å; L225-I240 HydrophobicContact CD1-CD1 4.08Å; L225-I240 HydrophobicContact CD2-CD1 3.66Å; L225-I240 HydrophobicContact CG-CD1 4.49Å; L225-V263 WeakPolarHBondContact O-CA 3.4Å; L225-I264 PolarHBondContact N-O 3.31Å; L225-I264 PolarHBondContact O-N 2.92Å; L225-L271 HydrophobicContact CD1-CD2 3.69Å; L225-V273 HydrophobicContact CD1-CG2 3.69Å; L225-L288 HydrophobicContact CD1-CB 4.16Å; L225-L288 HydrophobicContact CD1-CD1 4.18Å; L225-L288 HydrophobicContact CD2-CB 3.9Å; L225-L288 HydrophobicContact CD2-CD1 4.29Å; L225-L288 HydrophobicContact CD2-CD2 4.07Å; L225-L288 HydrophobicContact CD2-CG 4.3Å; L225-L288 HydrophobicContact CG-CB 4.1Å; L225-H289 CarbonylContact C-O 3.6Å; L225-H289 VanDerWaalsContact CA-O 3.31Å; L225-H289 WeakPolarHBondContact CA-O 3.24Å |
| 226 | Q | 90.6 | Very high | 83.8 | Confident | 58 Ų | 58 | 52 Ų | 52 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.4 | 172.3 | -174 | 173 | 53.7 | 0 | 0 | 110.9 | K228 G261 Q262 V263 H289 | Q226-K228 PolarHBondContact O-N 2.63Å; Q226-G261 PolarHBondContact NE2-O 2.93Å; Q226-Q262 WeakPolarHBondContact CA-O 3.43Å; Q226-V263 HydrophobicContact CB-CG2 4.22Å; Q226-V263 HydrophobicContact CG-CG2 4.06Å; Q226-H289 PolarHBondContact N-O 3.18Å; Q226-H289 PolarHBondContact O-N 3.01Å |
| 227 | V | 90 | Very high | 83.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 114.7 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | L225 V230 L258 V259 G261 Q262 L288 | L225-V227 HydrophobicContact CD2-CG2 4.47Å; V227-V230 HydrophobicContact CG1-CB 4.46Å; V227-V230 HydrophobicContact CG1-CG2 3.58Å; V227-L258 HydrophobicContact CG2-CD2 4.06Å; V227-V259 WeakPolarHBondContact CB-O 3.35Å; V227-V259 WeakPolarHBondContact CG1-O 3.46Å; V227-G261 PolarHBondContact O-N 3.12Å; V227-Q262 HydrophobicContact CB-CB 4.48Å; V227-Q262 HydrophobicContact CG2-CB 4.24Å; V227-Q262 PolarHBondContact N-O 2.82Å; V227-L288 HydrophobicContact CB-CD2 4.39Å; V227-L288 HydrophobicContact CG1-CD2 4.22Å; V227-L288 HydrophobicContact CG2-CD2 4.24Å |
| 228 | K | 88.4 | Confident | 83.5 | Confident | 62 Ų | 62 | 52 Ų | 52 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -43 | 175.8 | -59.9 | -66 | -169.5 | -174 | 0 | 111.8 | Y194 Q226 E260 Q287 H289 | Y194-K228 HydrophobicContact CE1-CG 4.44Å; Q226-K228 PolarHBondContact O-N 2.63Å; K228-E260 WeakPolarHBondContact O-CG 3.37Å; K228-Q287 HydrophobicContact CB-CG 4.39Å; K228-Q287 WeakPolarHBondContact CB-O 3.34Å; K228-Q287 PolarHBondContact N-O 3.22Å; K228-H289 HydrophobicContact CD-CB 4.2Å; K228-H289 WeakPolarHBondContact CE-ND1 3.41Å; K228-H289 HydrophobicContact CG-CB 3.87Å; K228-H289 PolarHBondContact NZ-ND1 3.49Å |
| 229 | N | 85.4 | Confident | 83.7 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 137.4 | 176.6 | -174.4 | 2.2 | 0 | 0 | 0 | 109.3 | F286 Q287 | N229-F286 CarbonylContact O-C 3.59Å; N229-F286 WeakPolarHBondContact O-CA 3.33Å; N229-Q287 HydrophobicContact CB-CB 4.43Å; N229-Q287 PolarHBondContact N-O 2.68Å; N229-Q287 PolarHBondContact O-N 2.98Å |
| 230 | V | 84.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 118.7 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 108.1 | V227 L232 L238 F286 L288 | V227-V230 HydrophobicContact CG1-CB 4.46Å; V227-V230 HydrophobicContact CG1-CG2 3.58Å; V230-L232 HydrophobicContact CG1-CD1 3.7Å; V230-L232 HydrophobicContact CG1-CG 3.7Å; V230-L238 HydrophobicContact CG1-CD2 4.24Å; V230-L238 HydrophobicContact CG2-CD2 4.19Å; V230-F286 HydrophobicContact CG2-CB 4.15Å; V230-L288 HydrophobicContact CG2-CD2 4.17Å |
| 231 | N | 82.4 | Confident | 84.7 | Confident | 112 Ų | 112 | 44 Ų | 44 | 60% | 0.599 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 94.4 | 179.5 | -177.9 | 19.8 | 0 | 0 | 0 | 108.8 | G284 L285 | N231-G284 CarbonylContact O-C 3.48Å; N231-G284 WeakPolarHBondContact O-CA 3.35Å; N231-L285 HydrophobicContact CB-CB 4.39Å; N231-L285 PolarHBondContact N-O 3.2Å; N231-L285 PolarHBondContact O-N 2.8Å |
| 232 | L | 79.9 | Confident | 84.7 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | trans | -120.6 | 150.6 | -172.9 | -55.6 | 175.7 | 0 | 0 | 0 | 110.2 | V230 E236 L238 H255 Y275 F286 | V230-L232 HydrophobicContact CG1-CD1 3.7Å; V230-L232 HydrophobicContact CG1-CG 3.7Å; L232-E236 HydrophobicContact CB-CB 4.31Å; L232-L238 HydrophobicContact CD1-CB 3.54Å; L232-L238 HydrophobicContact CD1-CD2 4.16Å; L232-H255 HydrophobicContact CD1-CB 4.14Å; L232-Y275 HydrophobicContact CD2-CE2 4.04Å; L232-F286 HydrophobicContact CD2-CD1 4.41Å | ||
| 233 | T | 76.4 | Confident | 84.5 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | trans | -83.3 | 161.1 | 170 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | S235 E236 | T233-S235 PolarHBondContact O-N 2.79Å; T233-S235 PolarHBondContact OG1-OG 2.88Å; T233-E236 WeakPolarHBondContact CB-OE2 3.21Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.39Å; T233-E236 PolarHBondContact N-OE2 3.38Å; T233-E236 PolarHBondContact O-N 2.64Å; T233-E236 WeakPolarHBondContact OG1-CG 3.43Å; T233-E236 PolarHBondContact OG1-OE2 2.82Å | ||
| 234 | D | 70.2 | Confident | 83.7 | Confident | 184 Ų | 184 | 44.7 Ų | 44.7 | 98% | 0.984 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11 | 176.8 | -60.6 | -43.2 | 0 | 0 | 0 | 114.5 | ||
| 235 | S | 71.6 | Confident | 82.4 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -1.6 | -180 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | T233 A278 | T233-S235 PolarHBondContact O-N 2.79Å; T233-S235 PolarHBondContact OG1-OG 2.88Å; S235-A278 WeakPolarHBondContact OG-CB 3.27Å |
| 236 | E | 78.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | trans | -104.8 | 144.5 | -178.4 | -75.4 | 163.2 | 150.9 | 0 | 0 | 111.1 | L232 T233 Y275 R276 A278 S282 G284 | L232-E236 HydrophobicContact CB-CB 4.31Å; T233-E236 WeakPolarHBondContact CB-OE2 3.21Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.39Å; T233-E236 PolarHBondContact N-OE2 3.38Å; T233-E236 PolarHBondContact O-N 2.64Å; T233-E236 WeakPolarHBondContact OG1-CG 3.43Å; T233-E236 PolarHBondContact OG1-OE2 2.82Å; E236-Y275 HydrophobicContact CB-CE2 4.38Å; E236-Y275 PolarHBondContact OE1-OH 2.78Å; E236-R276 WeakPolarHBondContact CA-O 3.5Å; E236-A278 HydrophobicContact CG-CB 3.89Å; E236-A278 VanDerWaalsContact CG-N 3.31Å; E236-S282 PolarHBondContact OE1-OG 2.88Å; E236-G284 PolarHBondContact OE1-N 2.83Å | ||
| 237 | Q | 83.5 | Confident | 80 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 110.7 | -176.6 | -169.7 | -175.8 | 15.4 | 0 | 0 | 111.5 | Y275 R276 | Q237-Y275 CarbonylContact O-C 3.54Å; Q237-Y275 WeakPolarHBondContact O-CA 3.49Å; Q237-R276 HydrophobicContact CB-CB 4.23Å; Q237-R276 PolarHBondContact N-O 2.9Å; Q237-R276 PolarHBondContact O-N 2.85Å |
| 238 | L | 87.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.9 | 166.6 | -170.8 | 62.1 | 0 | 0 | 0 | 109.5 | V230 L232 N254 H255 L258 V273 Y275 F286 | V230-L238 HydrophobicContact CG1-CD2 4.24Å; V230-L238 HydrophobicContact CG2-CD2 4.19Å; L232-L238 HydrophobicContact CD1-CB 3.54Å; L232-L238 HydrophobicContact CD1-CD2 4.16Å; L238-N254 CarbonylContact O-C 3.57Å; L238-N254 PolarHBondContact O-OD1 3.32Å; L238-H255 HydrophobicContact CB-CB 4.5Å; L238-H255 PolarHBondContact O-N 3.02Å; L238-L258 HydrophobicContact CB-CD1 4.27Å; L238-L258 HydrophobicContact CD2-CD1 3.66Å; L238-L258 HydrophobicContact CG-CD1 3.83Å; L238-V273 HydrophobicContact CD1-CG1 3.54Å; L238-Y275 HydrophobicContact CB-CD2 4.44Å; L238-Y275 HydrophobicContact CD1-CD2 4.16Å; L238-Y275 HydrophobicContact CD1-CG 4.48Å; L238-F286 HydrophobicContact CD1-CD1 4.46Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 4.49Å; L238-F286 HydrophobicContact CD1-CG 4.44Å; L238-F286 HydrophobicContact CD2-CB 4.01Å; L238-F286 HydrophobicContact CD2-CD1 4.49Å; L238-F286 HydrophobicContact CD2-CG 4.1Å |
| 239 | S | 89 | Confident | 78.7 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 132.1 | 175.9 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | R241 A253 Y274 | S239-R241 PolarHBondContact OG-NE 3.18Å; S239-R241 VanDerWaalsContact OG-NE 3.08Å; S239-R241 PolarHBondContact OG-NH2 2.95Å; S239-A253 CarbonylContact C-O 3.52Å; S239-A253 WeakPolarHBondContact CA-O 3.38Å; S239-Y274 PolarHBondContact N-O 3.47Å; S239-Y274 PolarHBondContact O-N 2.92Å |
| 240 | I | 89.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.5 | 178.7 | -61 | 179.4 | 0 | 0 | 0 | 107.8 | L225 L252 A253 L258 I264 L271 V273 L288 | L225-I240 HydrophobicContact CD1-CD1 4.08Å; L225-I240 HydrophobicContact CD2-CD1 3.66Å; L225-I240 HydrophobicContact CG-CD1 4.49Å; I240-L252 PolarHBondContact O-N 2.78Å; I240-A253 HydrophobicContact CB-CB 4.41Å; I240-A253 PolarHBondContact N-O 2.9Å; I240-A253 PolarHBondContact O-N 2.8Å; I240-A253 VanDerWaalsContact O-N 3.14Å; I240-L258 HydrophobicContact CD1-CD2 3.8Å; I240-L258 HydrophobicContact CG1-CD2 4.47Å; I240-I264 HydrophobicContact CD1-CD1 3.8Å; I240-I264 HydrophobicContact CG2-CG2 4.09Å; I240-L271 HydrophobicContact CG2-CD1 3.87Å; I240-L271 HydrophobicContact CG2-CD2 4.11Å; I240-L271 HydrophobicContact CG2-CG 4.09Å; I240-V273 HydrophobicContact CG1-CG1 4.37Å; I240-V273 HydrophobicContact CG1-CG2 4.32Å; I240-L288 HydrophobicContact CD1-CD1 4.45Å |
| 241 | R | 88.8 | Confident | 78.5 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.1 | -168.3 | -51.8 | 178.4 | -173 | 175.4 | 1.1 | 110.9 | S239 L250 V251 S272 Y274 | S239-R241 PolarHBondContact OG-NE 3.18Å; S239-R241 VanDerWaalsContact OG-NE 3.08Å; S239-R241 PolarHBondContact OG-NH2 2.95Å; R241-L250 CarbonylContact C-O 3.56Å; R241-L250 WeakPolarHBondContact CA-O 3.32Å; R241-V251 HydrophobicContact CG-CG2 4.32Å; R241-S272 PolarHBondContact N-O 2.86Å; R241-S272 PolarHBondContact O-N 2.89Å; R241-S272 PolarHBondContact O-OG 2.92Å; R241-Y274 VanDerWaalsContact CZ-CG 3.5Å |
| 242 | G | 84.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -175.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L250 | G242-L250 PolarHBondContact N-O 3.22Å; G242-L250 PolarHBondContact O-N 3.41Å |
| 243 | V | 82.9 | Confident | 78.6 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.261 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.3 | 170.4 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | A248 P267 T268 | V243-A248 WeakPolarHBondContact CA-O 3.48Å; V243-P267 WeakPolarHBondContact O-CG 3.29Å; V243-T268 WeakPolarHBondContact O-CG2 3.42Å; V243-T268 PolarHBondContact O-OG1 2.81Å |
| 244 | D | 71 | Confident | 78.9 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | trans | -82.9 | -172.2 | 178.8 | 66 | 26.2 | 0 | 0 | 0 | 113.9 | Q246 G247 A248 L250 | D244-Q246 PolarHBondContact O-N 2.61Å; D244-Q246 WeakPolarHBondContact OD1-CA 3.48Å; D244-Q246 PolarHBondContact OD1-N 2.88Å; D244-G247 PolarHBondContact O-N 2.91Å; D244-G247 PolarHBondContact OD1-N 2.7Å; D244-A248 PolarHBondContact N-O 2.91Å; D244-A248 PolarHBondContact OD1-N 3.29Å; D244-A248 WeakPolarHBondContact OD2-CB 3.02Å; D244-L250 HydrophobicContact CB-CB 4.34Å | ||
| 245 | D | 64.1 | Low | 78.9 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.6 | -179.8 | 65.1 | -55.8 | 0 | 0 | 0 | 114.2 | L342 | D245-L342 HydrophobicContact CB-CD2 3.88Š|
| 246 | Q | 64.6 | Low | 78.8 | Confident | 166 Ų | 166 | 55 Ų | 55 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -1.2 | -178.1 | -71.4 | 163.4 | 61.5 | 0 | 0 | 112.5 | D244 | D244-Q246 PolarHBondContact O-N 2.61Å; D244-Q246 WeakPolarHBondContact OD1-CA 3.48Å; D244-Q246 PolarHBondContact OD1-N 2.88Å |
| 247 | G | 65.9 | Low | 78.1 | Confident | 55 Ų | 55 | 60 Ų | 60 | 57% | 0.567 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 87.6 | 9.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D244 | D244-G247 PolarHBondContact O-N 2.91Å; D244-G247 PolarHBondContact OD1-N 2.7Å |
| 248 | A | 74.3 | Confident | 77.8 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 44% | 0.438 | 33% | 0.326 | S | S | . | . | trans | -90.4 | 164.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V243 D244 L250 | V243-A248 WeakPolarHBondContact CA-O 3.48Å; D244-A248 PolarHBondContact N-O 2.91Å; D244-A248 PolarHBondContact OD1-N 3.29Å; D244-A248 WeakPolarHBondContact OD2-CB 3.02Å; A248-L250 PolarHBondContact O-N 2.9Å | ||
| 249 | T | 77.1 | Confident | 77.4 | Confident | 100 Ų | 100 | 62.1 Ų | 62.1 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 105.2 | -172.6 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 250 | L | 82.1 | Confident | 77 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 41% | 0.408 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121 | 176.4 | 176.5 | 62.5 | 0 | 0 | 0 | 110.6 | R241 G242 D244 A248 L252 | R241-L250 CarbonylContact C-O 3.56Å; R241-L250 WeakPolarHBondContact CA-O 3.32Å; G242-L250 PolarHBondContact N-O 3.22Å; G242-L250 PolarHBondContact O-N 3.41Å; D244-L250 HydrophobicContact CB-CB 4.34Å; A248-L250 PolarHBondContact O-N 2.9Å; L250-L252 HydrophobicContact CD2-CD2 3.9Å; L250-L252 HydrophobicContact CG-CD2 4.09Å; L250-L252 PolarHBondContact O-N 3.19Å |
| 251 | V | 83.8 | Confident | 76.5 | Confident | 82 Ų | 82 | 71.2 Ų | 71.2 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 114.4 | 172.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | R241 A253 | R241-V251 HydrophobicContact CG-CG2 4.32Å; V251-A253 WeakPolarHBondContact CG1-O 3.34Å |
| 252 | L | 82.7 | Confident | 76.2 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.288 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -35.5 | 178.6 | -59 | 175 | 0 | 0 | 0 | 111.5 | I240 L250 I264 L271 | I240-L252 PolarHBondContact O-N 2.78Å; L250-L252 HydrophobicContact CD2-CD2 3.9Å; L250-L252 HydrophobicContact CG-CD2 4.09Å; L250-L252 PolarHBondContact O-N 3.19Å; L252-I264 HydrophobicContact CB-CG2 4Å; L252-I264 HydrophobicContact CD1-CG2 4.22Å; L252-L271 HydrophobicContact CD1-CD1 4.33Å |
| 253 | A | 82.4 | Confident | 76.3 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S239 I240 V251 L258 I264 | S239-A253 CarbonylContact C-O 3.52Å; S239-A253 WeakPolarHBondContact CA-O 3.38Å; I240-A253 HydrophobicContact CB-CB 4.41Å; I240-A253 PolarHBondContact N-O 2.9Å; I240-A253 PolarHBondContact O-N 2.8Å; I240-A253 VanDerWaalsContact O-N 3.14Å; V251-A253 WeakPolarHBondContact CG1-O 3.34Å; A253-L258 HydrophobicContact CB-CD2 3.73Å; A253-L258 HydrophobicContact CB-CG 4.44Å; A253-I264 HydrophobicContact CB-CD1 3.55Å; A253-I264 HydrophobicContact CB-CG1 4.5Å |
| 254 | N | 82.1 | Confident | 76.4 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 161.3 | 176.1 | -168.9 | 22.3 | 0 | 0 | 0 | 108.1 | L238 T256 L257 | L238-N254 CarbonylContact O-C 3.57Å; L238-N254 PolarHBondContact O-OD1 3.32Å; N254-T256 PolarHBondContact O-N 2.91Å; N254-L257 CarbonylContact O-C 3.49Å; N254-L257 WeakPolarHBondContact O-CA 3.24Å; N254-L257 PolarHBondContact O-N 2.68Å |
| 255 | H | 71.3 | Confident | 77.2 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -45.7 | -34.1 | -175 | 60.7 | -74.8 | 0 | 0 | 0 | 116 | L232 L238 L257 | L232-H255 HydrophobicContact CD1-CB 4.14Å; L238-H255 HydrophobicContact CB-CB 4.5Å; L238-H255 PolarHBondContact O-N 3.02Å; H255-L257 PolarHBondContact O-N 3.41Å |
| 256 | T | 69.3 | Low | 78.3 | Confident | 103 Ų | 103 | 73 Ų | 73 | 63% | 0.632 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -69.9 | -9.2 | 175.2 | 53.7 | 0 | 0 | 0 | 0 | 115.3 | N254 | N254-T256 PolarHBondContact O-N 2.91Š|
| 257 | L | 62.3 | Low | 79.1 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 58% | 0.576 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -130.6 | 37.8 | -175.8 | -62.5 | 173.9 | 0 | 0 | 0 | 110.6 | N254 H255 Q262 | N254-L257 CarbonylContact O-C 3.49Å; N254-L257 WeakPolarHBondContact O-CA 3.24Å; N254-L257 PolarHBondContact O-N 2.68Å; H255-L257 PolarHBondContact O-N 3.41Å; L257-Q262 PolarHBondContact O-NE2 2.83Å; L257-Q262 PolarHBondContact O-OE1 2.9Å; L257-Q262 VanDerWaalsContact O-OE1 3.09Å |
| 258 | L | 78 | Confident | 80 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | trans | -128.2 | 96.8 | 175.2 | -66.1 | 177.9 | 0 | 0 | 0 | 109.8 | V227 L238 I240 A253 I264 | V227-L258 HydrophobicContact CG2-CD2 4.06Å; L238-L258 HydrophobicContact CB-CD1 4.27Å; L238-L258 HydrophobicContact CD2-CD1 3.66Å; L238-L258 HydrophobicContact CG-CD1 3.83Å; I240-L258 HydrophobicContact CD1-CD2 3.8Å; I240-L258 HydrophobicContact CG1-CD2 4.47Å; A253-L258 HydrophobicContact CB-CD2 3.73Å; A253-L258 HydrophobicContact CB-CG 4.44Å; L258-I264 HydrophobicContact CD2-CD1 3.52Å | ||
| 259 | V | 78.6 | Confident | 80.6 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 61% | 0.606 | 35% | 0.354 | S | S | * | . | trans | -109.1 | 148.3 | 179 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | V227 G261 Q262 | V227-V259 WeakPolarHBondContact CB-O 3.35Å; V227-V259 WeakPolarHBondContact CG1-O 3.46Å; V259-G261 PolarHBondContact O-N 3.44Å; V259-Q262 WeakPolarHBondContact O-CB 3.35Å; V259-Q262 PolarHBondContact O-N 2.76Å; V259-Q262 VanDerWaalsContact O-N 3.11Å | ||
| 260 | E | 82 | Confident | 81.1 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 72% | 0.72 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.6 | 173.5 | 179.2 | 173 | 176.8 | 0 | 0 | 112 | K228 Q262 | K228-E260 WeakPolarHBondContact O-CG 3.37Å; E260-Q262 VanDerWaalsContact C-N 3.26Å; E260-Q262 PolarHBondContact O-N 3.09Å |
| 261 | G | 77.8 | Confident | 81.5 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -15.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q226 V227 V259 | Q226-G261 PolarHBondContact NE2-O 2.93Å; V227-G261 PolarHBondContact O-N 3.12Å; V259-G261 PolarHBondContact O-N 3.44Å |
| 262 | Q | 84 | Confident | 81.8 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | trans | -62.1 | 141 | -179.9 | -173.7 | -179.6 | -19.2 | 0 | 0 | 112 | Q226 V227 L257 V259 E260 | Q226-Q262 WeakPolarHBondContact CA-O 3.43Å; V227-Q262 HydrophobicContact CB-CB 4.48Å; V227-Q262 HydrophobicContact CG2-CB 4.24Å; V227-Q262 PolarHBondContact N-O 2.82Å; L257-Q262 PolarHBondContact O-NE2 2.83Å; L257-Q262 PolarHBondContact O-OE1 2.9Å; L257-Q262 VanDerWaalsContact O-OE1 3.09Å; V259-Q262 WeakPolarHBondContact O-CB 3.35Å; V259-Q262 PolarHBondContact O-N 2.76Å; V259-Q262 VanDerWaalsContact O-N 3.11Å; E260-Q262 VanDerWaalsContact C-N 3.26Å; E260-Q262 PolarHBondContact O-N 3.09Å | ||
| 263 | V | 86.1 | Confident | 82.1 | Confident | 65 Ų | 65 | 52 Ų | 52 | 39% | 0.394 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130 | -177.6 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | E224 L225 Q226 | E224-V263 VanDerWaalsContact CD-CG1 3.45Å; E224-V263 HydrophobicContact CG-CG1 3.32Å; L225-V263 WeakPolarHBondContact O-CA 3.4Å; Q226-V263 HydrophobicContact CB-CG2 4.22Å; Q226-V263 HydrophobicContact CG-CG2 4.06Å |
| 264 | I | 86.2 | Confident | 82.4 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.9 | -177.4 | -66.5 | 160 | 0 | 0 | 0 | 108.7 | L225 I240 L252 A253 L258 | L225-I264 PolarHBondContact N-O 3.31Å; L225-I264 PolarHBondContact O-N 2.92Å; I240-I264 HydrophobicContact CD1-CD1 3.8Å; I240-I264 HydrophobicContact CG2-CG2 4.09Å; L252-I264 HydrophobicContact CB-CG2 4Å; L252-I264 HydrophobicContact CD1-CG2 4.22Å; A253-I264 HydrophobicContact CB-CD1 3.55Å; A253-I264 HydrophobicContact CB-CG1 4.5Å; L258-I264 HydrophobicContact CD2-CD1 3.52Å |
| 265 | R | 87.8 | Confident | 82.7 | Confident | 149 Ų | 149 | 51.9 Ų | 51.9 | 56% | 0.562 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.8 | -179 | -71.1 | 177.5 | 179.3 | 152.4 | 4.5 | 111.1 | E224 F293 | E224-R265 HydrophobicContact CB-CG 4.2Å; E224-R265 HydrophobicContact CG-CG 4.04Å; E224-R265 IonicContact OE2-CZ 3.97Å; E224-R265 IonicContact OE2-NE 3.87Å; E224-R265 PolarHBondContact OE2-NE 3.34Å; E224-R265 IonicContact OE2-NH2 3.36Å; E224-R265 PolarHBondContact OE2-NH2 2.87Å; R265-F293 HydrophobicContact CB-CD1 4.44Å; R265-F293 HydrophobicContact CB-CE1 3.76Å; R265-F293 HydrophobicContact CB-CE2 4.48Å; R265-F293 HydrophobicContact CB-CZ 3.79Å; R265-F293 HydrophobicContact CG-CD1 4.17Å; R265-F293 HydrophobicContact CG-CE1 3.98Å; R265-F293 HydrophobicContact CG-CE2 4.49Å; R265-F293 HydrophobicContact CG-CZ 4.15Å |
| 266 | S | 86.5 | Confident | 83.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | trans | -75.1 | 142.1 | 171.6 | 63.7 | 0 | 0 | 0 | 0 | 112 | V223 T268 S270 F293 | V223-S266 PolarHBondContact N-OG 3.36Å; V223-S266 PolarHBondContact O-N 3.35Å; V223-S266 PolarHBondContact O-OG 3.44Å; S266-T268 WeakPolarHBondContact CB-O 3.27Å; S266-T268 PolarHBondContact O-N 2.88Å; S266-T268 PolarHBondContact OG-O 2.85Å; S266-S270 WeakPolarHBondContact CB-O 3.44Å; S266-F293 VanDerWaalsContact O-CZ 3.31Å; S266-F293 WeakPolarHBondContact O-CZ 3.46Å | ||
| 267 | P | 81.3 | Confident | 83.8 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 31% | 0.305 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -73.4 | -13.5 | 174 | 31.5 | -37.2 | 0 | 0 | 0 | 113.2 | V243 | V243-P267 WeakPolarHBondContact O-CG 3.29Š|
| 268 | T | 84.4 | Confident | 84.3 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -132.6 | 176.1 | -175.6 | 47.7 | 0 | 0 | 0 | 0 | 111 | V243 S266 S270 S341 L342 | V243-T268 WeakPolarHBondContact O-CG2 3.42Å; V243-T268 PolarHBondContact O-OG1 2.81Å; S266-T268 WeakPolarHBondContact CB-O 3.27Å; S266-T268 PolarHBondContact O-N 2.88Å; S266-T268 PolarHBondContact OG-O 2.85Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-S270 PolarHBondContact OG1-O 2.83Å; T268-S341 WeakPolarHBondContact CA-O 3.47Å; T268-L342 HydrophobicContact CG2-CB 4.09Å; T268-L342 HydrophobicContact CG2-CD1 3.46Å; T268-L342 VanDerWaalsContact CG2-CD1 3.46Å; T268-L342 HydrophobicContact CG2-CG 4.38Å |
| 269 | N | 86.6 | Confident | 83.6 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -73.1 | 16.6 | 176.3 | 75.7 | -68.1 | 0 | 0 | 0 | 114.8 | V217 Y221 | V217-N269 HydrophobicContact CG2-CB 4.22Å; V217-N269 PolarHBondContact N-O 3.3Å; V217-N269 PolarHBondContact O-ND2 3.44Å; Y221-N269 VanDerWaalsContact O-CA 3.24Å; Y221-N269 WeakPolarHBondContact O-CA 3.35Å; Y221-N269 WeakPolarHBondContact O-CB 3.45Å |
| 270 | S | 87.6 | Confident | 82.9 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 138.4 | -178.8 | -174 | 0 | 0 | 0 | 0 | 111.2 | V215 S266 T268 | V215-S270 WeakPolarHBondContact O-CA 3.28Å; S266-S270 WeakPolarHBondContact CB-O 3.44Å; T268-S270 PolarHBondContact O-N 3.46Å; T268-S270 PolarHBondContact OG1-O 2.83Å |
| 271 | L | 90.8 | Very high | 81.7 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.8 | 173.9 | -178.1 | 138.2 | 0 | 0 | 0 | 109.2 | T214 V215 V223 L225 I240 L252 V273 | T214-L271 CarbonylContact C-O 3.45Å; T214-L271 WeakPolarHBondContact CA-O 3.33Å; V215-L271 PolarHBondContact N-O 2.98Å; V215-L271 PolarHBondContact O-N 2.97Å; V223-L271 HydrophobicContact CB-CB 3.77Å; V223-L271 HydrophobicContact CB-CD1 4.41Å; V223-L271 HydrophobicContact CG1-CB 4.12Å; V223-L271 HydrophobicContact CG1-CD1 4.47Å; V223-L271 HydrophobicContact CG1-CD2 4.45Å; V223-L271 HydrophobicContact CG2-CB 4.05Å; L225-L271 HydrophobicContact CD1-CD2 3.69Å; I240-L271 HydrophobicContact CG2-CD1 3.87Å; I240-L271 HydrophobicContact CG2-CD2 4.11Å; I240-L271 HydrophobicContact CG2-CG 4.09Å; L252-L271 HydrophobicContact CD1-CD1 4.33Å; L271-V273 HydrophobicContact CD2-CG2 3.94Å |
| 272 | S | 90 | Very high | 80.9 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | Y213 R241 | Y213-S272 CarbonylContact O-C 3.59Å; Y213-S272 VanDerWaalsContact O-CA 3.27Å; Y213-S272 WeakPolarHBondContact O-CA 3.27Å; R241-S272 PolarHBondContact N-O 2.86Å; R241-S272 PolarHBondContact O-N 2.89Å; R241-S272 PolarHBondContact O-OG 2.92Å |
| 273 | V | 90.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.6 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 107.3 | I195 T212 Y213 L225 L238 I240 L271 L288 | I195-V273 HydrophobicContact CD1-CG2 3.94Å; T212-V273 WeakPolarHBondContact CA-O 3.29Å; Y213-V273 HydrophobicContact CD2-CB 4.41Å; Y213-V273 PolarHBondContact N-O 3.1Å; Y213-V273 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG2 3.69Å; L238-V273 HydrophobicContact CD1-CG1 3.54Å; I240-V273 HydrophobicContact CG1-CG1 4.37Å; I240-V273 HydrophobicContact CG1-CG2 4.32Å; L271-V273 HydrophobicContact CD2-CG2 3.94Å; V273-L288 HydrophobicContact CG1-CD1 3.78Å; V273-L288 HydrophobicContact CG2-CD1 4.07Å |
| 274 | Y | 88.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 42.6 Ų | 42.6 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.3 | 176 | 176.6 | -83.3 | 0 | 0 | 0 | 109.5 | H210 C211 S239 R241 R276 | H210-Y274 AromaticContact ND1-CZ 3.98Å; H210-Y274 PolarHBondContact ND1-OH 2.83Å; C211-Y274 WeakPolarHBondContact O-CA 3.21Å; S239-Y274 PolarHBondContact N-O 3.47Å; S239-Y274 PolarHBondContact O-N 2.92Å; R241-Y274 VanDerWaalsContact CZ-CG 3.5Å; Y274-R276 HydrophobicContact CE1-CB 4.27Å |
| 275 | Y | 87.4 | Confident | 79.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.7 | 178.5 | 174.8 | -115.4 | 0 | 0 | 0 | 111.2 | H210 C211 L232 E236 Q237 L238 G284 F286 | H210-Y275 CarbonylContact C-O 3.55Å; C211-Y275 PolarHBondContact N-O 2.88Å; C211-Y275 PolarHBondContact O-N 2.85Å; L232-Y275 HydrophobicContact CD2-CE2 4.04Å; E236-Y275 HydrophobicContact CB-CE2 4.38Å; E236-Y275 PolarHBondContact OE1-OH 2.78Å; Q237-Y275 CarbonylContact O-C 3.54Å; Q237-Y275 WeakPolarHBondContact O-CA 3.49Å; L238-Y275 HydrophobicContact CB-CD2 4.44Å; L238-Y275 HydrophobicContact CD1-CD2 4.16Å; L238-Y275 HydrophobicContact CD1-CG 4.48Å; Y275-G284 PolarHBondContact OH-N 3.18Å; Y275-G284 VanDerWaalsContact OH-N 3.14Å; Y275-F286 AromaticContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CZ 4.09Å; Y275-F286 HydrophobicContact CD2-CD1 4.18Å; Y275-F286 AromaticContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CZ 4.42Å; Y275-F286 AromaticContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE2-CD1 4.34Å; Y275-F286 AromaticContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CG-CD1 4.44Å; Y275-F286 AromaticContact CG-CE1 3.48Å; Y275-F286 HydrophobicContact CG-CE1 3.48Å; Y275-F286 VanDerWaalsContact CG-CE1 3.48Å; Y275-F286 AromaticContact CG-CZ 3.89Å; Y275-F286 HydrophobicContact CG-CZ 3.89Å |
| 276 | R | 84.8 | Confident | 79.1 | Confident | 99 Ų | 99 | 39.5 Ų | 39.5 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.4 | 173.4 | -171 | -174.2 | -172.2 | -158 | -3.5 | 110.4 | L209 H210 E236 Q237 Y274 | L209-R276 VanDerWaalsContact O-CA 3.31Å; L209-R276 WeakPolarHBondContact O-CA 3.46Å; H210-R276 PolarHBondContact CE1-NE 2.91Å; H210-R276 PolarHBondContact NE2-NE 3.22Å; E236-R276 WeakPolarHBondContact CA-O 3.5Å; Q237-R276 HydrophobicContact CB-CB 4.23Å; Q237-R276 PolarHBondContact N-O 2.9Å; Q237-R276 PolarHBondContact O-N 2.85Å; Y274-R276 HydrophobicContact CE1-CB 4.27Å |
| 277 | S | 79.2 | Confident | 79.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | trans | -77.3 | 166.2 | 178.3 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | L209 | L209-S277 PolarHBondContact N-OG 3Å; L209-S277 PolarHBondContact O-N 2.87Å | ||
| 278 | A | 71.9 | Confident | 79.7 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | trans | -68.3 | 159.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S235 E236 E280 S282 | S235-A278 WeakPolarHBondContact OG-CB 3.27Å; E236-A278 HydrophobicContact CG-CB 3.89Å; E236-A278 VanDerWaalsContact CG-N 3.31Å; A278-E280 PolarHBondContact O-N 2.87Å; A278-E280 VanDerWaalsContact O-N 3.13Å; A278-S282 WeakPolarHBondContact CB-OG 3.32Å | ||
| 279 | P | 64.1 | Low | 80.1 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | 34.3 | -89.5 | 120.6 | 39.4 | -24.2 | 0 | 0 | 0 | 118.9 | F208 | F208-P279 HydrophobicContact CE1-CB 3.59Å; F208-P279 HydrophobicContact CE1-CG 3.7Å; F208-P279 HydrophobicContact CZ-CB 3.76Å; F208-P279 HydrophobicContact CZ-CG 4.22Å | |
| 280 | E | 64.2 | Low | 80.5 | Confident | 181 Ų | 181 | 39.1 Ų | 39.1 | 85% | 0.846 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 16.2 | -142.6 | -60.6 | 172.7 | 168.4 | 0 | 0 | 111.7 | A278 | A278-E280 PolarHBondContact O-N 2.87Å; A278-E280 VanDerWaalsContact O-N 3.13Å |
| 281 | G | 57 | Low | 80.7 | Confident | 42 Ų | 42 | 41.4 Ų | 41.4 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 83.3 | 4.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 282 | S | 60.7 | Low | 80.7 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 33% | 0.329 | 23% | 0.229 | S | C | . | . | trans | -64.8 | 147.1 | 168.9 | 69.8 | 0 | 0 | 0 | 0 | 110.9 | E236 A278 | E236-S282 PolarHBondContact OE1-OG 2.88Å; A278-S282 WeakPolarHBondContact CB-OG 3.32Å | ||
| 283 | M | 68.3 | Low | 80.5 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 40% | 0.399 | 23% | 0.231 | S | C | . | . | trans | -123.2 | 107.7 | 169.2 | -57.8 | -165.4 | -56.2 | 0 | 0 | 108.6 | L209 | L209-M283 HydrophobicContact CD2-SD 4.25Š| ||
| 284 | G | 72 | Confident | 80.2 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | trans | -55.6 | 138.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N231 E236 Y275 | N231-G284 CarbonylContact O-C 3.48Å; N231-G284 WeakPolarHBondContact O-CA 3.35Å; E236-G284 PolarHBondContact OE1-N 2.83Å; Y275-G284 PolarHBondContact OH-N 3.18Å; Y275-G284 VanDerWaalsContact OH-N 3.14Å | ||
| 285 | L | 80.3 | Confident | 79.9 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 134.4 | -179.2 | -114.8 | 82.4 | 0 | 0 | 0 | 110 | N231 | N231-L285 HydrophobicContact CB-CB 4.39Å; N231-L285 PolarHBondContact N-O 3.2Å; N231-L285 PolarHBondContact O-N 2.8Å |
| 286 | F | 86.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 138.2 | 165.6 | 59.6 | -88.6 | 0 | 0 | 0 | 110.9 | I195 D196 S197 Y213 N229 V230 L232 L238 Y275 L288 | I195-F286 HydrophobicContact CG2-CE2 4.23Å; D196-F286 WeakPolarHBondContact CA-O 3.45Å; S197-F286 PolarHBondContact N-O 2.84Å; S197-F286 PolarHBondContact OG-N 2.9Å; S197-F286 PolarHBondContact OG-O 2.9Å; Y213-F286 HydrophobicContact CE2-CE2 4.08Å; Y213-F286 AromaticContact CE2-CZ 3.79Å; Y213-F286 HydrophobicContact CE2-CZ 3.79Å; N229-F286 CarbonylContact O-C 3.59Å; N229-F286 WeakPolarHBondContact O-CA 3.33Å; V230-F286 HydrophobicContact CG2-CB 4.15Å; L232-F286 HydrophobicContact CD2-CD1 4.41Å; L238-F286 HydrophobicContact CD1-CD1 4.46Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 4.49Å; L238-F286 HydrophobicContact CD1-CG 4.44Å; L238-F286 HydrophobicContact CD2-CB 4.01Å; L238-F286 HydrophobicContact CD2-CD1 4.49Å; L238-F286 HydrophobicContact CD2-CG 4.1Å; Y275-F286 AromaticContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CE1 3.67Å; Y275-F286 HydrophobicContact CD1-CZ 4.09Å; Y275-F286 HydrophobicContact CD2-CD1 4.18Å; Y275-F286 AromaticContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CE1 3.64Å; Y275-F286 HydrophobicContact CD2-CZ 4.42Å; Y275-F286 AromaticContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE1-CE1 4Å; Y275-F286 HydrophobicContact CE2-CD1 4.34Å; Y275-F286 AromaticContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CE2-CE1 3.99Å; Y275-F286 HydrophobicContact CG-CD1 4.44Å; Y275-F286 AromaticContact CG-CE1 3.48Å; Y275-F286 HydrophobicContact CG-CE1 3.48Å; Y275-F286 VanDerWaalsContact CG-CE1 3.48Å; Y275-F286 AromaticContact CG-CZ 3.89Å; Y275-F286 HydrophobicContact CG-CZ 3.89Å; F286-L288 HydrophobicContact CD2-CD1 4.16Å; F286-L288 HydrophobicContact CD2-CG 4.24Å |
| 287 | Q | 88.8 | Confident | 79.7 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 117.5 | 173.9 | -174.2 | 175 | 89.6 | 0 | 0 | 108.7 | Y194 D196 K228 N229 | Y194-Q287 HydrophobicContact CD1-CG 4.25Å; D196-Q287 WeakPolarHBondContact OD2-CG 3.05Å; D196-Q287 PolarHBondContact OD2-NE2 2.7Å; K228-Q287 HydrophobicContact CB-CG 4.39Å; K228-Q287 WeakPolarHBondContact CB-O 3.34Å; K228-Q287 PolarHBondContact N-O 3.22Å; N229-Q287 HydrophobicContact CB-CB 4.43Å; N229-Q287 PolarHBondContact N-O 2.68Å; N229-Q287 PolarHBondContact O-N 2.98Å |
| 288 | L | 90.9 | Very high | 79.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.9 | -176 | -52.1 | 175 | 0 | 0 | 0 | 108.4 | Y194 I195 L225 V227 V230 I240 V273 F286 | Y194-L288 CarbonylContact C-O 3.5Å; Y194-L288 WeakPolarHBondContact CA-O 3.39Å; I195-L288 HydrophobicContact CB-CB 4.4Å; I195-L288 PolarHBondContact N-O 2.86Å; I195-L288 PolarHBondContact O-N 2.8Å; L225-L288 HydrophobicContact CD1-CB 4.16Å; L225-L288 HydrophobicContact CD1-CD1 4.18Å; L225-L288 HydrophobicContact CD2-CB 3.9Å; L225-L288 HydrophobicContact CD2-CD1 4.29Å; L225-L288 HydrophobicContact CD2-CD2 4.07Å; L225-L288 HydrophobicContact CD2-CG 4.3Å; L225-L288 HydrophobicContact CG-CB 4.1Å; V227-L288 HydrophobicContact CB-CD2 4.39Å; V227-L288 HydrophobicContact CG1-CD2 4.22Å; V227-L288 HydrophobicContact CG2-CD2 4.24Å; V230-L288 HydrophobicContact CG2-CD2 4.17Å; I240-L288 HydrophobicContact CD1-CD1 4.45Å; V273-L288 HydrophobicContact CG1-CD1 3.78Å; V273-L288 HydrophobicContact CG2-CD1 4.07Å; F286-L288 HydrophobicContact CD2-CD1 4.16Å; F286-L288 HydrophobicContact CD2-CG 4.24Å |
| 289 | H | 93.4 | Very high | 80.1 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.069 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.6 | 174.7 | 174.8 | -139.6 | 0 | 0 | 0 | 108.3 | E192 G193 Y194 L225 Q226 K228 | E192-H289 IonicContact OE1-CD2 2.7Å; E192-H289 IonicContact OE1-CE1 3.89Å; E192-H289 IonicContact OE1-NE2 2.68Å; E192-H289 PolarHBondContact OE1-NE2 2.86Å; G193-H289 PolarHBondContact O-CD2 2.87Å; Y194-H289 HydrophobicContact CD1-CB 3.98Å; Y194-H289 HydrophobicContact CE1-CB 3.65Å; Y194-H289 AromaticContact CE1-CD2 3.82Å; Y194-H289 AromaticContact CE1-CG 3.87Å; Y194-H289 AromaticContact CE2-CD2 3.51Å; Y194-H289 AromaticContact CZ-CD2 3.35Å; Y194-H289 AromaticContact CZ-CG 3.78Å; Y194-H289 AromaticContact CZ-NE2 3.98Å; L225-H289 CarbonylContact C-O 3.6Å; L225-H289 VanDerWaalsContact CA-O 3.31Å; L225-H289 WeakPolarHBondContact CA-O 3.24Å; Q226-H289 PolarHBondContact N-O 3.18Å; Q226-H289 PolarHBondContact O-N 3.01Å; K228-H289 HydrophobicContact CD-CB 4.2Å; K228-H289 WeakPolarHBondContact CE-ND1 3.41Å; K228-H289 HydrophobicContact CG-CB 3.87Å; K228-H289 PolarHBondContact NZ-ND1 3.49Å |
| 290 | Y | 93.4 | Very high | 81 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145 | 174.4 | 71.2 | -93.9 | 0 | 0 | 0 | 111.2 | F188 E192 G193 I195 V215 E224 | F188-Y290 HydrophobicContact CB-CE1 4.43Å; F188-Y290 WeakPolarHBondContact CB-OH 3.35Å; F188-Y290 HydrophobicContact CD1-CE1 4.18Å; F188-Y290 WeakPolarHBondContact CD1-OH 3.3Å; F188-Y290 HydrophobicContact CG-CE1 4.18Å; E192-Y290 CarbonylContact C-O 3.56Å; E192-Y290 VanDerWaalsContact CA-O 3.29Å; E192-Y290 WeakPolarHBondContact CA-O 3.45Å; E192-Y290 WeakPolarHBondContact CG-O 3.35Å; G193-Y290 VanDerWaalsContact CA-CZ 3.5Å; G193-Y290 PolarHBondContact N-O 3.02Å; G193-Y290 VanDerWaalsContact O-CD1 3.31Å; G193-Y290 WeakPolarHBondContact O-CD1 3.18Å; G193-Y290 PolarHBondContact O-N 2.92Å; I195-Y290 HydrophobicContact CD1-CD1 4.15Å; I195-Y290 HydrophobicContact CG1-CD1 3.9Å; I195-Y290 HydrophobicContact CG1-CE1 4.07Å; V215-Y290 HydrophobicContact CG1-CD2 3.63Å; V215-Y290 HydrophobicContact CG1-CE2 3.71Å; V215-Y290 HydrophobicContact CG1-CG 4.23Å; V215-Y290 HydrophobicContact CG2-CD1 4.1Å; V215-Y290 HydrophobicContact CG2-CD2 4.31Å; V215-Y290 HydrophobicContact CG2-CE1 4.3Å; V215-Y290 HydrophobicContact CG2-CG 4.11Å; E224-Y290 CarbonylContact O-C 3.57Å; E224-Y290 VanDerWaalsContact O-CA 3.25Å; E224-Y290 WeakPolarHBondContact O-CA 3.31Å |
| 291 | Q | 92.8 | Very high | 81.7 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.3 | 175.2 | 64.9 | -177.1 | -0.1 | 0 | 0 | 110.7 | P191 E192 E224 | P191-Q291 CarbonylContact O-C 3.06Å; P191-Q291 WeakPolarHBondContact O-CA 3.36Å; E192-Q291 HydrophobicContact CG-CB 4.15Å; E224-Q291 HydrophobicContact CB-CG 4.15Å; E224-Q291 PolarHBondContact N-O 3.19Å; E224-Q291 PolarHBondContact O-N 3.3Å; E224-Q291 PolarHBondContact OE1-NE2 3.47Å |
| 292 | I | 90.3 | Very high | 82.6 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 137.8 | 172.3 | 49.3 | 168.6 | 0 | 0 | 0 | 111.8 | P191 V217 Y218 Y221 G222 | P191-I292 HydrophobicContact CB-CD1 3.75Å; P191-I292 HydrophobicContact CB-CG1 3.96Å; P191-I292 HydrophobicContact CB-CG2 4.31Å; P191-I292 WeakPolarHBondContact O-CG1 3.37Å; P191-I292 PolarHBondContact O-N 3.09Å; V217-I292 HydrophobicContact CB-CG2 3.87Å; V217-I292 HydrophobicContact CG1-CG2 3.63Å; V217-I292 HydrophobicContact CG2-CG2 4.24Å; Y218-I292 HydrophobicContact CE1-CD1 4.15Å; Y218-I292 WeakPolarHBondContact OH-CD1 3.4Å; Y221-I292 HydrophobicContact CD1-CB 4.28Å; Y221-I292 HydrophobicContact CD1-CD1 4.24Å; G222-I292 WeakPolarHBondContact O-CA 3.33Å |
| 293 | F | 86.7 | Confident | 83.6 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 158.7 | 161.7 | 83.5 | -79.2 | 0 | 0 | 0 | 109.6 | Y221 G222 E224 R265 S266 L295 | Y221-F293 CarbonylContact C-O 3.5Å; Y221-F293 WeakPolarHBondContact CA-O 3.49Å; Y221-F293 WeakPolarHBondContact CB-O 3.25Å; Y221-F293 WeakPolarHBondContact CD1-O 3.35Å; G222-F293 VanDerWaalsContact C-CD1 3.47Å; G222-F293 PolarHBondContact N-O 3.36Å; G222-F293 WeakPolarHBondContact O-CD1 3.47Å; G222-F293 PolarHBondContact O-N 3.18Å; E224-F293 HydrophobicContact CB-CB 4.25Å; E224-F293 HydrophobicContact CB-CD1 3.89Å; E224-F293 HydrophobicContact CB-CG 4.4Å; R265-F293 HydrophobicContact CB-CD1 4.44Å; R265-F293 HydrophobicContact CB-CE1 3.76Å; R265-F293 HydrophobicContact CB-CE2 4.48Å; R265-F293 HydrophobicContact CB-CZ 3.79Å; R265-F293 HydrophobicContact CG-CD1 4.17Å; R265-F293 HydrophobicContact CG-CE1 3.98Å; R265-F293 HydrophobicContact CG-CE2 4.49Å; R265-F293 HydrophobicContact CG-CZ 4.15Å; S266-F293 VanDerWaalsContact O-CZ 3.31Å; S266-F293 WeakPolarHBondContact O-CZ 3.46Å; F293-L295 HydrophobicContact CE1-CD2 4.48Å; F293-L295 HydrophobicContact CE2-CD2 4.19Å; F293-L295 HydrophobicContact CZ-CD2 3.77Å |
| 294 | R | 83.8 | Confident | 83.7 | Confident | 141 Ų | 141 | 61.9 Ų | 61.9 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.1 | -178.5 | -164.1 | 171.4 | 178.8 | -161.6 | -6.2 | 110.5 | Y221 L314 | Y221-R294 HydrophobicContact CD1-CB 4.22Å; Y221-R294 HydrophobicContact CE1-CB 4.03Å; Y221-R294 HydrophobicContact CE1-CG 4.16Å; R294-L314 HydrophobicContact CG-CD2 3.87Å; R294-L314 VanDerWaalsContact CZ-CD1 3.48Å; R294-L314 VanDerWaalsContact NH1-CD1 3.32Å |
| 295 | L | 82.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | trans | -71.9 | 138 | 178.7 | -71.1 | 170.3 | 0 | 0 | 0 | 110.8 | G220 Y221 F293 P343 | G220-L295 PolarHBondContact O-N 2.94Å; Y221-L295 VanDerWaalsContact O-CD1 3.3Å; Y221-L295 WeakPolarHBondContact O-CD1 3.3Å; F293-L295 HydrophobicContact CE1-CD2 4.48Å; F293-L295 HydrophobicContact CE2-CD2 4.19Å; F293-L295 HydrophobicContact CZ-CD2 3.77Å; L295-P343 HydrophobicContact CB-CG 3.73Å | ||
| 296 | S | 83.7 | Confident | 83.9 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | trans | -141.5 | 156.6 | 177.1 | 58 | 0 | 0 | 0 | 0 | 110.4 | L313 | S296-L313 CarbonylContact C-O 3.49Å; S296-L313 WeakPolarHBondContact CA-O 3.31Å; S296-L313 WeakPolarHBondContact CB-O 3.44Å | ||
| 297 | C | 83.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 150.9 | 170 | -74.8 | 0 | 0 | 0 | 0 | 110.5 | L313 C337 P343 V344 W345 | C297-L313 PolarHBondContact N-O 3.08Å; C297-C337 HydrophobicContact CB-CB 3.9Å; C297-C337 WeakPolarHBondContact CB-SG 3.29Å; C297-C337 WeakPolarHBondContact SG-CA 3.49Å; C297-C337 WeakPolarHBondContact SG-CB 3.41Å; C297-C337 CovalentContact SG-SG 2.04Å; C297-C337 PolarHBondContact SG-SG 3.2Å; C297-P343 HydrophobicContact CB-CB 4.38Å; C297-P343 VanDerWaalsContact SG-C 3.57Å; C297-V344 VanDerWaalsContact SG-C 3.55Å; C297-V344 PolarHBondContact SG-N 2.87Å; C297-W345 HydrophobicContact CB-CD2 4.32Å; C297-W345 HydrophobicContact CB-CH2 4.44Å; C297-W345 HydrophobicContact CB-CZ2 3.71Å |
| 298 | S | 81.9 | Confident | 83.4 | Confident | 90 Ų | 90 | 65.6 Ų | 65.6 | 63% | 0.629 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 146.1 | 169.1 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | P300 W345 | S298-P300 WeakPolarHBondContact O-CD 3.37Å; S298-W345 PolarHBondContact O-NE1 3.37Å |
| 299 | L | 78.5 | Confident | 83.1 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -60 | 120.5 | 174.5 | -171.1 | 75.3 | 0 | 0 | 0 | 108.7 | V310 L313 | L299-V310 HydrophobicContact CD1-CG2 4.32Å; L299-L313 HydrophobicContact CD1-CD1 4.24Å; L299-L313 HydrophobicContact CD1-CD2 4.34Å |
| 300 | P | 82.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 140.9 | -176.3 | 26.6 | -33.5 | 0 | 0 | 0 | 110.1 | S298 R302 V308 V310 A319 F321 W345 | S298-P300 WeakPolarHBondContact O-CD 3.37Å; P300-R302 PolarHBondContact O-N 2.81Å; P300-V308 HydrophobicContact CG-CG2 3.99Å; P300-V310 HydrophobicContact CG-CG2 3.81Å; P300-A319 HydrophobicContact CG-CB 3.91Å; P300-F321 HydrophobicContact CB-CE1 4.3Å; P300-F321 HydrophobicContact CB-CZ 3.89Å; P300-F321 HydrophobicContact CG-CZ 4.33Å; P300-W345 HydrophobicContact CG-CZ2 4.11Å |
| 301 | K | 78.4 | Confident | 82.1 | Confident | 159 Ų | 159 | 77.1 Ų | 77.1 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 132 | -179.4 | -67.4 | -175.3 | 178.3 | -176.4 | 0 | 110.1 | ||
| 302 | R | 76.8 | Confident | 81.3 | Confident | 184 Ų | 184 | 77 Ų | 77 | 69% | 0.694 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 129.5 | 171.8 | -174.5 | -177.3 | -67.8 | -165.4 | -0 | 108.9 | P300 G306 V308 | P300-R302 PolarHBondContact O-N 2.81Å; R302-G306 VanDerWaalsContact CD-O 3.31Å; R302-G306 WeakPolarHBondContact CD-O 3.45Å; R302-G306 WeakPolarHBondContact CG-O 3.32Å; R302-V308 HydrophobicContact CB-CG1 4.31Å |
| 303 | P | 80.8 | Confident | 81 | Confident | 10 Ų | 10 | 77 Ų | 77 | 7% | 0.065 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 142.8 | 175.7 | 26.9 | -32.8 | 0 | 0 | 0 | 110.3 | F305 G306 F321 | P303-F305 PolarHBondContact O-N 3.17Å; P303-G306 PolarHBondContact O-N 3.36Å; P303-F321 HydrophobicContact CG-CD1 4.29Å |
| 304 | H | 71.2 | Confident | 80.8 | Confident | 160 Ų | 160 | 76.7 Ų | 76.7 | 74% | 0.741 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 128.3 | 172.3 | -65.2 | 85.8 | 0 | 0 | 0 | 109.3 | G306 C352 | H304-G306 VanDerWaalsContact C-N 3.29Å; H304-G306 PolarHBondContact O-N 2.95Å; H304-C352 WeakPolarHBondContact O-CB 3.27Å |
| 305 | F | 76 | Confident | 80.7 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 34 | -173.7 | -42.6 | -77.6 | 0 | 0 | 0 | 114.9 | P303 H324 Y327 | P303-F305 PolarHBondContact O-N 3.17Å; F305-H324 WeakPolarHBondContact O-CB 3.12Å; F305-H324 PolarHBondContact O-N 3.02Å; F305-Y327 HydrophobicContact CB-CD1 3.89Å; F305-Y327 HydrophobicContact CB-CD2 3.72Å; F305-Y327 HydrophobicContact CB-CE1 3.64Å; F305-Y327 HydrophobicContact CB-CE2 3.44Å; F305-Y327 VanDerWaalsContact CB-CE2 3.44Å; F305-Y327 HydrophobicContact CB-CG 3.95Å; F305-Y327 VanDerWaalsContact CB-CZ 3.41Å; F305-Y327 HydrophobicContact CD1-CE1 4.44Å; F305-Y327 HydrophobicContact CD1-CE2 4.09Å; F305-Y327 AromaticContact CD1-CZ 3.71Å; F305-Y327 VanDerWaalsContact CD1-OH 3.29Å; F305-Y327 WeakPolarHBondContact CD1-OH 3.24Å; F305-Y327 HydrophobicContact CD2-CD1 4.34Å; F305-Y327 AromaticContact CD2-CE1 3.52Å; F305-Y327 HydrophobicContact CD2-CE1 3.52Å; F305-Y327 AromaticContact CD2-CZ 3.63Å; F305-Y327 HydrophobicContact CE2-CE1 4.28Å; F305-Y327 HydrophobicContact CG-CD1 4.35Å; F305-Y327 AromaticContact CG-CE1 3.62Å; F305-Y327 HydrophobicContact CG-CE1 3.62Å; F305-Y327 AromaticContact CG-CE2 3.79Å; F305-Y327 HydrophobicContact CG-CE2 3.79Å; F305-Y327 AromaticContact CG-CZ 3.29Å; F305-Y327 VanDerWaalsContact CG-OH 3.3Å; F305-Y327 WeakPolarHBondContact CG-OH 3.37Å |
| 306 | G | 80 | Confident | 80.7 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -176.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R302 P303 H304 H322 | R302-G306 VanDerWaalsContact CD-O 3.31Å; R302-G306 WeakPolarHBondContact CD-O 3.45Å; R302-G306 WeakPolarHBondContact CG-O 3.32Å; P303-G306 PolarHBondContact O-N 3.36Å; H304-G306 VanDerWaalsContact C-N 3.29Å; H304-G306 PolarHBondContact O-N 2.95Å; G306-H322 CarbonylContact C-O 3.55Å; G306-H322 WeakPolarHBondContact CA-O 3.05Å |
| 307 | E | 79 | Confident | 80.7 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162.6 | 179.4 | 63.9 | 179.6 | 175.9 | 0 | 0 | 111.1 | H322 | E307-H322 HydrophobicContact CG-CB 3.82Å; E307-H322 PolarHBondContact N-O 2.84Å; E307-H322 PolarHBondContact O-N 3.07Å |
| 308 | V | 85.2 | Confident | 81 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 21% | 0.212 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.4 | 174.2 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | P300 R302 V310 A319 S320 F321 | P300-V308 HydrophobicContact CG-CG2 3.99Å; R302-V308 HydrophobicContact CB-CG1 4.31Å; V308-V310 HydrophobicContact CG2-CG2 4.12Å; V308-A319 HydrophobicContact CG2-CB 4.14Å; V308-S320 CarbonylContact C-O 3.55Å; V308-S320 WeakPolarHBondContact CA-O 3.36Å; V308-F321 HydrophobicContact CB-CD1 3.82Å; V308-F321 HydrophobicContact CB-CE1 3.88Å; V308-F321 HydrophobicContact CG2-CD1 3.69Å; V308-F321 HydrophobicContact CG2-CD2 4.46Å; V308-F321 HydrophobicContact CG2-CE1 3.45Å; V308-F321 VanDerWaalsContact CG2-CE1 3.45Å; V308-F321 HydrophobicContact CG2-CE2 4.23Å; V308-F321 HydrophobicContact CG2-CG 4.2Å; V308-F321 HydrophobicContact CG2-CZ 3.74Å |
| 309 | S | 84.8 | Confident | 81.2 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 44% | 0.441 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.2 | 173.8 | 50.2 | 0 | 0 | 0 | 0 | 109 | A319 S320 | S309-A319 CarbonylContact O-C 3.53Å; S309-A319 WeakPolarHBondContact O-CA 3.5Å; S309-S320 PolarHBondContact N-O 2.9Å; S309-S320 PolarHBondContact O-N 3.23Å; S309-S320 PolarHBondContact OG-O 3.38Å |
| 310 | V | 84 | Confident | 81.7 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.5 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | L299 P300 V308 L313 A319 | L299-V310 HydrophobicContact CD1-CG2 4.32Å; P300-V310 HydrophobicContact CG-CG2 3.81Å; V308-V310 HydrophobicContact CG2-CG2 4.12Å; V310-L313 HydrophobicContact CG1-CD2 3.64Å; V310-L313 HydrophobicContact CG1-CG 3.99Å; V310-A319 HydrophobicContact CG2-CB 4.05Å |
| 311 | L | 81.2 | Confident | 82.1 | Confident | 149 Ų | 149 | 64.7 Ų | 64.7 | 78% | 0.78 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -82.3 | -39.8 | 177.5 | -68.5 | 169.4 | 0 | 0 | 0 | 111.7 | V318 | L311-V318 HydrophobicContact CD1-CB 4.47Å; L311-V318 PolarHBondContact N-O 2.78Å |
| 312 | D | 77.9 | Confident | 82.4 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | trans | -159.7 | 148 | 177.6 | -169.2 | -4.4 | 0 | 0 | 0 | 109.1 | L314 G317 V318 | D312-L314 WeakPolarHBondContact OD1-CB 3.32Å; D312-L314 WeakPolarHBondContact OD1-CD1 3.48Å; D312-L314 VanDerWaalsContact OD1-CG 3.23Å; D312-L314 WeakPolarHBondContact OD1-CG 3.47Å; D312-L314 PolarHBondContact OD1-N 3.05Å; D312-G317 CarbonylContact O-C 3.59Å; D312-G317 WeakPolarHBondContact O-CA 3.49Å; D312-V318 PolarHBondContact O-N 2.99Å | ||
| 313 | L | 82 | Confident | 82.8 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | trans | -100.1 | -8.6 | 174.2 | -67.3 | 175.9 | 0 | 0 | 0 | 112.6 | S296 C297 L299 V310 C337 W345 | S296-L313 CarbonylContact C-O 3.49Å; S296-L313 WeakPolarHBondContact CA-O 3.31Å; S296-L313 WeakPolarHBondContact CB-O 3.44Å; C297-L313 PolarHBondContact N-O 3.08Å; L299-L313 HydrophobicContact CD1-CD1 4.24Å; L299-L313 HydrophobicContact CD1-CD2 4.34Å; V310-L313 HydrophobicContact CG1-CD2 3.64Å; V310-L313 HydrophobicContact CG1-CG 3.99Å; L313-C337 PolarHBondContact O-SG 3.4Å; L313-W345 HydrophobicContact CD2-CH2 4.22Å; L313-W345 HydrophobicContact CD2-CZ2 3.69Å | ||
| 314 | L | 82.6 | Confident | 82.9 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -70.6 | 161 | 176.9 | -62.9 | 166.2 | 0 | 0 | 0 | 111.3 | R294 D312 G316 G317 C337 | R294-L314 HydrophobicContact CG-CD2 3.87Å; R294-L314 VanDerWaalsContact CZ-CD1 3.48Å; R294-L314 VanDerWaalsContact NH1-CD1 3.32Å; D312-L314 WeakPolarHBondContact OD1-CB 3.32Å; D312-L314 WeakPolarHBondContact OD1-CD1 3.48Å; D312-L314 VanDerWaalsContact OD1-CG 3.23Å; D312-L314 WeakPolarHBondContact OD1-CG 3.47Å; D312-L314 PolarHBondContact OD1-N 3.05Å; L314-G316 PolarHBondContact O-N 3.04Å; L314-G317 WeakPolarHBondContact O-CA 3.3Å; L314-G317 PolarHBondContact O-N 2.71Å; L314-C337 WeakPolarHBondContact O-CB 3.28Å |
| 315 | P | 81.6 | Confident | 83.3 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 124 | 176.1 | -25.7 | 35.4 | 0 | 0 | 0 | 112.3 | N339 A340 P343 | P315-N339 WeakPolarHBondContact CB-O 3.17Å; P315-N339 VanDerWaalsContact CG-O 3.31Å; P315-N339 WeakPolarHBondContact CG-O 3.19Å; P315-A340 HydrophobicContact CG-CB 4.29Å; P315-P343 HydrophobicContact CG-CG 4.42Å |
| 316 | G | 82.8 | Confident | 83.3 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 58% | 0.577 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -12.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L314 C337 | L314-G316 PolarHBondContact O-N 3.04Å; G316-C337 PolarHBondContact N-O 2.73Å |
| 317 | G | 85.4 | Confident | 83.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | -67.6 | 159.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | D312 L314 T336 C337 | D312-G317 CarbonylContact O-C 3.59Å; D312-G317 WeakPolarHBondContact O-CA 3.49Å; L314-G317 WeakPolarHBondContact O-CA 3.3Å; L314-G317 PolarHBondContact O-N 2.71Å; G317-T336 CarbonylContact O-C 3.58Å; G317-T336 WeakPolarHBondContact O-CA 3.42Å; G317-C337 PolarHBondContact O-N 3.24Å | ||
| 318 | V | 88.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 134.9 | -165.2 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | L311 D312 Q334 L335 T336 | L311-V318 HydrophobicContact CD1-CB 4.47Å; L311-V318 PolarHBondContact N-O 2.78Å; D312-V318 PolarHBondContact O-N 2.99Å; V318-Q334 HydrophobicContact CG1-CG 3.29Å; V318-L335 WeakPolarHBondContact CA-O 3.26Å; V318-T336 HydrophobicContact CG2-CG2 4.31Å |
| 319 | A | 86.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | P300 V308 S309 V310 F321 Q334 L335 W345 | P300-A319 HydrophobicContact CG-CB 3.91Å; V308-A319 HydrophobicContact CG2-CB 4.14Å; S309-A319 CarbonylContact O-C 3.53Å; S309-A319 WeakPolarHBondContact O-CA 3.5Å; V310-A319 HydrophobicContact CG2-CB 4.05Å; A319-F321 HydrophobicContact CB-CE2 4.06Å; A319-F321 HydrophobicContact CB-CZ 4.31Å; A319-Q334 CarbonylContact O-C 3.58Å; A319-Q334 VanDerWaalsContact O-CA 3.31Å; A319-Q334 WeakPolarHBondContact O-CA 3.43Å; A319-L335 PolarHBondContact N-O 2.87Å; A319-L335 PolarHBondContact O-N 2.87Å; A319-W345 HydrophobicContact CB-CH2 3.84Å; A319-W345 HydrophobicContact CB-CZ2 4.45Å; A319-W345 HydrophobicContact CB-CZ3 3.88Å |
| 320 | S | 89.6 | Confident | 84 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.7 | 178.5 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | V308 S309 H322 P333 | V308-S320 CarbonylContact C-O 3.55Å; V308-S320 WeakPolarHBondContact CA-O 3.36Å; S309-S320 PolarHBondContact N-O 2.9Å; S309-S320 PolarHBondContact O-N 3.23Å; S309-S320 PolarHBondContact OG-O 3.38Å; S320-H322 PolarHBondContact OG-CE1 2.91Å; S320-P333 WeakPolarHBondContact CA-O 3.39Å; S320-P333 PolarHBondContact OG-O 2.94Å |
| 321 | F | 89.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 2% | 0.022 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.2 | -168 | -62.5 | -97.7 | 0 | 0 | 0 | 110.7 | P300 P303 V308 A319 L329 P333 L335 P350 | P300-F321 HydrophobicContact CB-CE1 4.3Å; P300-F321 HydrophobicContact CB-CZ 3.89Å; P300-F321 HydrophobicContact CG-CZ 4.33Å; P303-F321 HydrophobicContact CG-CD1 4.29Å; V308-F321 HydrophobicContact CB-CD1 3.82Å; V308-F321 HydrophobicContact CB-CE1 3.88Å; V308-F321 HydrophobicContact CG2-CD1 3.69Å; V308-F321 HydrophobicContact CG2-CD2 4.46Å; V308-F321 HydrophobicContact CG2-CE1 3.45Å; V308-F321 VanDerWaalsContact CG2-CE1 3.45Å; V308-F321 HydrophobicContact CG2-CE2 4.23Å; V308-F321 HydrophobicContact CG2-CG 4.2Å; V308-F321 HydrophobicContact CG2-CZ 3.74Å; A319-F321 HydrophobicContact CB-CE2 4.06Å; A319-F321 HydrophobicContact CB-CZ 4.31Å; F321-L329 HydrophobicContact CB-CD1 4.2Å; F321-L329 HydrophobicContact CB-CD2 4.46Å; F321-P333 PolarHBondContact N-O 2.8Å; F321-L335 HydrophobicContact CE2-CB 4.12Å; F321-L335 HydrophobicContact CE2-CD1 3.77Å; F321-L335 HydrophobicContact CE2-CG 3.8Å; F321-L335 HydrophobicContact CZ-CD1 3.95Å; F321-L335 HydrophobicContact CZ-CG 4.48Å; F321-P350 HydrophobicContact CB-CG 3.55Å; F321-P350 HydrophobicContact CD1-CG 3.66Å; F321-P350 HydrophobicContact CD2-CG 3.74Å; F321-P350 HydrophobicContact CE1-CG 4.26Å; F321-P350 HydrophobicContact CE2-CG 4.35Å; F321-P350 HydrophobicContact CG-CG 3.37Å |
| 322 | H | 85.8 | Confident | 84.4 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.1 | -178.9 | -57.7 | 81.2 | 0 | 0 | 0 | 109.4 | G306 E307 S320 | G306-H322 CarbonylContact C-O 3.55Å; G306-H322 WeakPolarHBondContact CA-O 3.05Å; E307-H322 HydrophobicContact CG-CB 3.82Å; E307-H322 PolarHBondContact N-O 2.84Å; E307-H322 PolarHBondContact O-N 3.07Å; S320-H322 PolarHBondContact OG-CE1 2.91Å |
| 323 | C | 85.4 | Confident | 85 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.6 | 178.6 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | Y327 L329 C352 | C323-Y327 WeakPolarHBondContact CB-O 3.07Å; C323-L329 VanDerWaalsContact SG-CA 3.54Å; C323-L329 WeakPolarHBondContact SG-CD1 3.45Å; C323-C352 WeakPolarHBondContact CA-SG 3.42Å; C323-C352 HydrophobicContact CB-CB 3.82Å; C323-C352 WeakPolarHBondContact CB-SG 3.37Å; C323-C352 VanDerWaalsContact SG-CA 3.56Å; C323-C352 WeakPolarHBondContact SG-CB 3.07Å; C323-C352 CovalentContact SG-SG 2.04Å; C323-C352 PolarHBondContact SG-SG 3.42Å |
| 324 | H | 82.3 | Confident | 85.4 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 43% | 0.431 | 34% | 0.338 | S | S | . | . | trans | -65 | 154.6 | 173 | -59.5 | 171.7 | 0 | 0 | 0 | 110.6 | F305 G326 Y327 | F305-H324 WeakPolarHBondContact O-CB 3.12Å; F305-H324 PolarHBondContact O-N 3.02Å; H324-G326 PolarHBondContact O-N 2.92Å; H324-Y327 HydrophobicContact CB-CD2 4.35Å; H324-Y327 PolarHBondContact O-N 2.95Å | ||
| 325 | M | 79.1 | Confident | 85.8 | Confident | 117 Ų | 117 | 58 Ų | 58 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 130.1 | -176.1 | -65.9 | -164.9 | 79.9 | 0 | 0 | 112.3 | ||
| 326 | G | 76.7 | Confident | 86.2 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 38% | 0.381 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -19.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H324 | H324-G326 PolarHBondContact O-N 2.92Š|
| 327 | Y | 82.3 | Confident | 86.4 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | trans | -97.8 | 142.7 | 173.8 | -64.1 | -95.5 | 0 | 0 | 0 | 111.5 | F305 C323 H324 A354 L369 | F305-Y327 HydrophobicContact CB-CD1 3.89Å; F305-Y327 HydrophobicContact CB-CD2 3.72Å; F305-Y327 HydrophobicContact CB-CE1 3.64Å; F305-Y327 HydrophobicContact CB-CE2 3.44Å; F305-Y327 VanDerWaalsContact CB-CE2 3.44Å; F305-Y327 HydrophobicContact CB-CG 3.95Å; F305-Y327 VanDerWaalsContact CB-CZ 3.41Å; F305-Y327 HydrophobicContact CD1-CE1 4.44Å; F305-Y327 HydrophobicContact CD1-CE2 4.09Å; F305-Y327 AromaticContact CD1-CZ 3.71Å; F305-Y327 VanDerWaalsContact CD1-OH 3.29Å; F305-Y327 WeakPolarHBondContact CD1-OH 3.24Å; F305-Y327 HydrophobicContact CD2-CD1 4.34Å; F305-Y327 AromaticContact CD2-CE1 3.52Å; F305-Y327 HydrophobicContact CD2-CE1 3.52Å; F305-Y327 AromaticContact CD2-CZ 3.63Å; F305-Y327 HydrophobicContact CE2-CE1 4.28Å; F305-Y327 HydrophobicContact CG-CD1 4.35Å; F305-Y327 AromaticContact CG-CE1 3.62Å; F305-Y327 HydrophobicContact CG-CE1 3.62Å; F305-Y327 AromaticContact CG-CE2 3.79Å; F305-Y327 HydrophobicContact CG-CE2 3.79Å; F305-Y327 AromaticContact CG-CZ 3.29Å; F305-Y327 VanDerWaalsContact CG-OH 3.3Å; F305-Y327 WeakPolarHBondContact CG-OH 3.37Å; C323-Y327 WeakPolarHBondContact CB-O 3.07Å; H324-Y327 HydrophobicContact CB-CD2 4.35Å; H324-Y327 PolarHBondContact O-N 2.95Å; Y327-A354 HydrophobicContact CD1-CB 4.33Å; Y327-A354 HydrophobicContact CE1-CB 4.34Å; Y327-L369 HydrophobicContact CD1-CD1 4.39Å; Y327-L369 HydrophobicContact CD2-CD1 3.48Å; Y327-L369 VanDerWaalsContact CD2-CD1 3.48Å; Y327-L369 HydrophobicContact CE1-CD1 4.17Å; Y327-L369 HydrophobicContact CE2-CD1 3.2Å; Y327-L369 HydrophobicContact CG-CD1 4.06Å | ||
| 328 | H | 84.9 | Confident | 86.4 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 142.8 | 172.8 | -165.1 | -73.6 | 0 | 0 | 0 | 110.4 | C352 R353 L355 | H328-C352 WeakPolarHBondContact O-CA 3.5Å; H328-R353 PolarHBondContact N-O 2.92Å; H328-R353 PolarHBondContact O-N 3.02Å; H328-L355 HydrophobicContact CB-CD1 3.94Å; H328-L355 HydrophobicContact CB-CG 4.12Å |
| 329 | L | 87.8 | Confident | 86 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.3 | 176.4 | -163.4 | 76.3 | 0 | 0 | 0 | 110.8 | F321 C323 P333 P350 | F321-L329 HydrophobicContact CB-CD1 4.2Å; F321-L329 HydrophobicContact CB-CD2 4.46Å; C323-L329 VanDerWaalsContact SG-CA 3.54Å; C323-L329 WeakPolarHBondContact SG-CD1 3.45Å; L329-P333 VanDerWaalsContact CD2-CA 3.5Å; L329-P333 HydrophobicContact CD2-CB 3.92Å; L329-P350 HydrophobicContact CD1-CB 3.76Å; L329-P350 HydrophobicContact CD1-CG 3.95Å; L329-P350 HydrophobicContact CD2-CB 4.12Å; L329-P350 HydrophobicContact CD2-CG 4.35Å; L329-P350 HydrophobicContact CG-CB 3.92Å; L329-P350 HydrophobicContact CG-CG 4.45Å |
| 330 | Q | 87.7 | Confident | 85.3 | Confident | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 102.2 | 170 | -175.3 | 172.8 | 22.3 | 0 | 0 | 109.4 | P350 T351 | Q330-P350 WeakPolarHBondContact O-CA 3.43Å; Q330-T351 PolarHBondContact N-O 2.03Å; Q330-T351 PolarHBondContact O-N 2.03Å |
| 331 | G | 86.2 | Confident | 84.5 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 139.5 | -171.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 332 | E | 88.9 | Confident | 84 | Confident | 128 Ų | 128 | 65.7 Ų | 65.7 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | trans | -74 | 137.9 | 173.5 | -66.5 | -59 | 151.1 | 0 | 0 | 110.8 | Q334 L335 P350 | E332-Q334 PolarHBondContact O-N 2.82Å; E332-L335 HydrophobicContact CB-CD2 4.29Å; E332-P350 WeakPolarHBondContact O-CG 3.29Å | ||
| 333 | P | 89.6 | Confident | 83.7 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -74.7 | -7.7 | 179 | 32.3 | -36.5 | 0 | 0 | 0 | 113.8 | S320 F321 L329 | S320-P333 WeakPolarHBondContact CA-O 3.39Å; S320-P333 PolarHBondContact OG-O 2.94Å; F321-P333 PolarHBondContact N-O 2.8Å; L329-P333 VanDerWaalsContact CD2-CA 3.5Å; L329-P333 HydrophobicContact CD2-CB 3.92Å |
| 334 | Q | 91.1 | Very high | 83.7 | Confident | 109 Ų | 109 | 64 Ų | 64 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 131 | -174.3 | -168.9 | 165.8 | 62.2 | 0 | 0 | 110.1 | V318 A319 E332 | V318-Q334 HydrophobicContact CG1-CG 3.29Å; A319-Q334 CarbonylContact O-C 3.58Å; A319-Q334 VanDerWaalsContact O-CA 3.31Å; A319-Q334 WeakPolarHBondContact O-CA 3.43Å; E332-Q334 PolarHBondContact O-N 2.82Å |
| 335 | L | 90 | Very high | 83.9 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.2 | 174.8 | -62.1 | 178.9 | 0 | 0 | 0 | 109.5 | V318 A319 F321 E332 W345 | V318-L335 WeakPolarHBondContact CA-O 3.26Å; A319-L335 PolarHBondContact N-O 2.87Å; A319-L335 PolarHBondContact O-N 2.87Å; F321-L335 HydrophobicContact CE2-CB 4.12Å; F321-L335 HydrophobicContact CE2-CD1 3.77Å; F321-L335 HydrophobicContact CE2-CG 3.8Å; F321-L335 HydrophobicContact CZ-CD1 3.95Å; F321-L335 HydrophobicContact CZ-CG 4.48Å; E332-L335 HydrophobicContact CB-CD2 4.29Å; L335-W345 HydrophobicContact CB-CE3 3.86Å; L335-W345 HydrophobicContact CD1-CB 4.44Å; L335-W345 WeakPolarHBondContact O-CZ3 3.48Å |
| 336 | T | 90.1 | Very high | 84.4 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.3 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | G317 V318 I338 W345 S346 | G317-T336 CarbonylContact O-C 3.58Å; G317-T336 WeakPolarHBondContact O-CA 3.42Å; V318-T336 HydrophobicContact CG2-CG2 4.31Å; T336-I338 PolarHBondContact O-N 2.04Å; T336-W345 VanDerWaalsContact C-CE3 3.47Å; T336-S346 PolarHBondContact N-OG 3.02Å; T336-S346 WeakPolarHBondContact O-CB 3.48Å; T336-S346 PolarHBondContact O-N 2.83Å; T336-S346 PolarHBondContact O-OG 2.88Å |
| 337 | C | 87.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.4 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | C297 L313 L314 G316 G317 W345 | C297-C337 HydrophobicContact CB-CB 3.9Å; C297-C337 WeakPolarHBondContact CB-SG 3.29Å; C297-C337 WeakPolarHBondContact SG-CA 3.49Å; C297-C337 WeakPolarHBondContact SG-CB 3.41Å; C297-C337 CovalentContact SG-SG 2.04Å; C297-C337 PolarHBondContact SG-SG 3.2Å; L313-C337 PolarHBondContact O-SG 3.4Å; L314-C337 WeakPolarHBondContact O-CB 3.28Å; G316-C337 PolarHBondContact N-O 2.73Å; G317-C337 PolarHBondContact O-N 3.24Å; C337-W345 HydrophobicContact CB-CE3 4.23Å; C337-W345 HydrophobicContact CB-CH2 4.1Å; C337-W345 HydrophobicContact CB-CZ3 3.89Å; C337-W345 VanDerWaalsContact N-CZ3 3.34Å |
| 338 | I | 85.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 45% | 0.451 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 157.7 | -177.1 | 58.8 | 164.2 | 0 | 0 | 0 | 111.4 | T336 P343 V344 | T336-I338 PolarHBondContact O-N 2.04Å; I338-P343 WeakPolarHBondContact O-CA 3.41Å; I338-V344 WeakPolarHBondContact CG1-O 3.42Å; I338-V344 PolarHBondContact N-O 2.58Å; I338-V344 PolarHBondContact O-N 2.87Å |
| 339 | N | 78.5 | Confident | 84.9 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | trans | 66.3 | 146.7 | -175 | -171.6 | 21 | 0 | 0 | 0 | 114.6 | P315 S341 L342 | P315-N339 WeakPolarHBondContact CB-O 3.17Å; P315-N339 VanDerWaalsContact CG-O 3.31Å; P315-N339 WeakPolarHBondContact CG-O 3.19Å; N339-S341 PolarHBondContact OD1-N 2.84Å; N339-S341 PolarHBondContact OD1-OG 2.96Å; N339-L342 WeakPolarHBondContact CB-O 3.48Å; N339-L342 PolarHBondContact ND2-N 2.76Å; N339-L342 PolarHBondContact ND2-O 2.89Å | ||
| 340 | A | 73.3 | Confident | 84.9 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -113.1 | -16.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G220 P315 | G220-A340 WeakPolarHBondContact CA-O 3.11Å; G220-A340 PolarHBondContact N-O 2.87Å; P315-A340 HydrophobicContact CG-CB 4.29Å |
| 341 | S | 72.4 | Confident | 84.8 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -96.4 | -20.1 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | T268 N339 | T268-S341 WeakPolarHBondContact CA-O 3.47Å; N339-S341 PolarHBondContact OD1-N 2.84Å; N339-S341 PolarHBondContact OD1-OG 2.96Å |
| 342 | L | 78.3 | Confident | 84.8 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 18% | 0.183 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -149.4 | 91.3 | 173 | 175.5 | 87.7 | 0 | 0 | 0 | 107 | D245 T268 N339 V344 | D245-L342 HydrophobicContact CB-CD2 3.88Å; T268-L342 HydrophobicContact CG2-CB 4.09Å; T268-L342 HydrophobicContact CG2-CD1 3.46Å; T268-L342 VanDerWaalsContact CG2-CD1 3.46Å; T268-L342 HydrophobicContact CG2-CG 4.38Å; N339-L342 WeakPolarHBondContact CB-O 3.48Å; N339-L342 PolarHBondContact ND2-N 2.76Å; N339-L342 PolarHBondContact ND2-O 2.89Å; L342-V344 HydrophobicContact CD2-CG2 4.01Å; L342-V344 HydrophobicContact CG-CG2 4.07Å; L342-V344 PolarHBondContact O-N 3.3Å |
| 343 | P | 80.6 | Confident | 84.4 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | trans | -70.2 | 125.9 | -177.5 | -20 | 33.4 | 0 | 0 | 0 | 112.3 | L295 C297 P315 I338 | L295-P343 HydrophobicContact CB-CG 3.73Å; C297-P343 HydrophobicContact CB-CB 4.38Å; C297-P343 VanDerWaalsContact SG-C 3.57Å; P315-P343 HydrophobicContact CG-CG 4.42Å; I338-P343 WeakPolarHBondContact O-CA 3.41Å | ||
| 344 | V | 84.7 | Confident | 84.1 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 44% | 0.436 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 150 | -179.7 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | C297 I338 L342 | C297-V344 VanDerWaalsContact SG-C 3.55Å; C297-V344 PolarHBondContact SG-N 2.87Å; I338-V344 WeakPolarHBondContact CG1-O 3.42Å; I338-V344 PolarHBondContact N-O 2.58Å; I338-V344 PolarHBondContact O-N 2.87Å; L342-V344 HydrophobicContact CD2-CG2 4.01Å; L342-V344 HydrophobicContact CG-CG2 4.07Å; L342-V344 PolarHBondContact O-N 3.3Å |
| 345 | W | 87 | Confident | 83.8 | Confident | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 145.5 | 174.3 | -68.6 | 105.7 | 0 | 0 | 0 | 112 | C297 S298 P300 L313 A319 L335 T336 C337 G347 | C297-W345 HydrophobicContact CB-CD2 4.32Å; C297-W345 HydrophobicContact CB-CH2 4.44Å; C297-W345 HydrophobicContact CB-CZ2 3.71Å; S298-W345 PolarHBondContact O-NE1 3.37Å; P300-W345 HydrophobicContact CG-CZ2 4.11Å; L313-W345 HydrophobicContact CD2-CH2 4.22Å; L313-W345 HydrophobicContact CD2-CZ2 3.69Å; A319-W345 HydrophobicContact CB-CH2 3.84Å; A319-W345 HydrophobicContact CB-CZ2 4.45Å; A319-W345 HydrophobicContact CB-CZ3 3.88Å; L335-W345 HydrophobicContact CB-CE3 3.86Å; L335-W345 HydrophobicContact CD1-CB 4.44Å; L335-W345 WeakPolarHBondContact O-CZ3 3.48Å; T336-W345 VanDerWaalsContact C-CE3 3.47Å; C337-W345 HydrophobicContact CB-CE3 4.23Å; C337-W345 HydrophobicContact CB-CH2 4.1Å; C337-W345 HydrophobicContact CB-CZ3 3.89Å; C337-W345 VanDerWaalsContact N-CZ3 3.34Å; W345-G347 PolarHBondContact O-N 2.86Å |
| 346 | S | 88.1 | Confident | 83.5 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -63.2 | -5.9 | -177 | 61.7 | 0 | 0 | 0 | 0 | 115.6 | T336 | T336-S346 PolarHBondContact N-OG 3.02Å; T336-S346 WeakPolarHBondContact O-CB 3.48Å; T336-S346 PolarHBondContact O-N 2.83Å; T336-S346 PolarHBondContact O-OG 2.88Å |
| 347 | G | 85.3 | Confident | 83.1 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -171.6 | 176.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | W345 | W345-G347 PolarHBondContact O-N 2.86Š|
| 348 | K | 85.6 | Confident | 83 | Confident | 182 Ų | 182 | 52 Ų | 52 | 79% | 0.791 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 147.8 | 176.3 | -172.2 | 172.6 | -178.4 | 175.8 | 0 | 110.9 | ||
| 349 | E | 83.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 134 | 178.9 | -52.5 | 95.7 | 136.6 | 0 | 0 | 111.6 | ||
| 350 | P | 88.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 161.9 | 177.7 | 33.8 | -38.1 | 0 | 0 | 0 | 111.5 | F321 L329 Q330 E332 | F321-P350 HydrophobicContact CB-CG 3.55Å; F321-P350 HydrophobicContact CD1-CG 3.66Å; F321-P350 HydrophobicContact CD2-CG 3.74Å; F321-P350 HydrophobicContact CE1-CG 4.26Å; F321-P350 HydrophobicContact CE2-CG 4.35Å; F321-P350 HydrophobicContact CG-CG 3.37Å; L329-P350 HydrophobicContact CD1-CB 3.76Å; L329-P350 HydrophobicContact CD1-CG 3.95Å; L329-P350 HydrophobicContact CD2-CB 4.12Å; L329-P350 HydrophobicContact CD2-CG 4.35Å; L329-P350 HydrophobicContact CG-CB 3.92Å; L329-P350 HydrophobicContact CG-CG 4.45Å; Q330-P350 WeakPolarHBondContact O-CA 3.43Å; E332-P350 WeakPolarHBondContact O-CG 3.29Å |
| 351 | T | 85.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.8 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | Q330 | Q330-T351 PolarHBondContact N-O 2.03Å; Q330-T351 PolarHBondContact O-N 2.03Å |
| 352 | C | 85.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.4 | 174 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | H304 C323 H328 | H304-C352 WeakPolarHBondContact O-CB 3.27Å; C323-C352 WeakPolarHBondContact CA-SG 3.42Å; C323-C352 HydrophobicContact CB-CB 3.82Å; C323-C352 WeakPolarHBondContact CB-SG 3.37Å; C323-C352 VanDerWaalsContact SG-CA 3.56Å; C323-C352 WeakPolarHBondContact SG-CB 3.07Å; C323-C352 CovalentContact SG-SG 2.04Å; C323-C352 PolarHBondContact SG-SG 3.42Å; H328-C352 WeakPolarHBondContact O-CA 3.5Å |
| 353 | R | 81.6 | Confident | 85.4 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.2 | -177.3 | -74 | -176.9 | 166.2 | 174.4 | -11.4 | 112.4 | H328 | H328-R353 PolarHBondContact N-O 2.92Å; H328-R353 PolarHBondContact O-N 3.02Å |
| 354 | A | 83.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.033 | 34% | 0.344 | C | S | . | . | trans | -80.3 | 131.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y327 L369 S370 S372 | Y327-A354 HydrophobicContact CD1-CB 4.33Å; Y327-A354 HydrophobicContact CE1-CB 4.34Å; A354-L369 HydrophobicContact CB-CB 3.88Å; A354-L369 HydrophobicContact CB-CD1 4.32Å; A354-S370 WeakPolarHBondContact CB-O 3.06Å; A354-S372 PolarHBondContact N-OG 3.32Å; A354-S372 PolarHBondContact O-N 2.94Å | ||
| 355 | L | 83.6 | Confident | 85.6 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | trans | -92.8 | 141.2 | -175.7 | -59.9 | 178.4 | 0 | 0 | 0 | 111.9 | H328 G357 W387 | H328-L355 HydrophobicContact CB-CD1 3.94Å; H328-L355 HydrophobicContact CB-CG 4.12Å; L355-G357 PolarHBondContact O-N 2.67Å; L355-W387 WeakPolarHBondContact O-CZ2 3.38Å; L355-W387 PolarHBondContact O-NE1 3.04Å | ||
| 356 | C | 83.5 | Confident | 85.6 | Confident | 38 Ų | 38 | 60 Ų | 60 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -70.9 | 106.1 | 173 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | P371 C385 | C356-P371 HydrophobicContact CB-CB 4.2Å; C356-P371 HydrophobicContact CB-CG 4.25Å; C356-C385 HydrophobicContact CB-CB 4.09Å; C356-C385 WeakPolarHBondContact CB-SG 3.02Å; C356-C385 VanDerWaalsContact SG-CA 3.51Å; C356-C385 WeakPolarHBondContact SG-CB 3.42Å; C356-C385 CovalentContact SG-SG 2.03Å; C356-C385 PolarHBondContact SG-SG 3.14Å |
| 357 | G | 82.9 | Confident | 85.6 | Confident | 19 Ų | 19 | 61 Ų | 61 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | 76.6 | 177 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116 | L355 S386 W387 | L355-G357 PolarHBondContact O-N 2.67Å; G357-S386 CarbonylContact C-O 3.6Å; G357-S386 WeakPolarHBondContact CA-O 3.45Å; G357-W387 PolarHBondContact O-NE1 3.44Å | ||
| 358 | G | 86 | Confident | 85.7 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -177.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S386 W387 S388 | G358-S386 PolarHBondContact N-O 3.06Å; G358-S386 VanDerWaalsContact N-O 3.09Å; G358-W387 CarbonylContact O-C 3.43Å; G358-W387 WeakPolarHBondContact O-CA 3.37Å; G358-S388 PolarHBondContact O-N 3.29Å; G358-S388 PolarHBondContact O-OG 3.03Å |
| 359 | T | 88.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 60% | 0.595 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 122.7 | 175 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | K361 S388 | T359-K361 HydrophobicContact CG2-CG 4.23Å; T359-S388 CarbonylContact C-O 3.51Å; T359-S388 WeakPolarHBondContact CA-O 3.41Å; T359-S388 WeakPolarHBondContact CA-OG 3.31Å; T359-S388 WeakPolarHBondContact CB-OG 3.45Å; T359-S388 PolarHBondContact OG1-OG 3.27Å |
| 360 | V | 87.3 | Confident | 85.7 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.3 | 173.2 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | A363 S388 L389 E390 | V360-A363 HydrophobicContact CB-CB 4.26Å; V360-A363 HydrophobicContact CG1-CB 3.79Å; V360-S388 PolarHBondContact N-O 2.83Å; V360-L389 HydrophobicContact CB-CD2 3.88Å; V360-L389 HydrophobicContact CG2-CD2 3.84Å; V360-E390 PolarHBondContact O-N 3.4Å |
| 361 | K | 88.7 | Confident | 85.3 | Confident | 143 Ų | 143 | 50.8 Ų | 50.8 | 62% | 0.622 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 146.4 | 175.7 | -66.9 | -171.8 | 167.3 | -87 | 0 | 110.5 | T359 A363 E390 | T359-K361 HydrophobicContact CG2-CG 4.23Å; K361-A363 PolarHBondContact O-N 2.91Å; K361-E390 CarbonylContact C-O 3.59Å; K361-E390 WeakPolarHBondContact CG-OE2 3.41Å; K361-E390 IonicContact NZ-OE1 3.78Å; K361-E390 IonicContact NZ-OE2 2.58Å; K361-E390 PolarHBondContact NZ-OE2 2.88Å |
| 362 | N | 87.9 | Confident | 84.7 | Confident | 107 Ų | 107 | 49 Ų | 49 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 54 | 43.1 | -170.7 | -160.4 | 92 | 0 | 0 | 0 | 111 | T364 E390 | N362-T364 PolarHBondContact O-N 3.17Å; N362-T364 VanDerWaalsContact O-N 3.12Å; N362-E390 CarbonylContact C-O 3.6Å; N362-E390 WeakPolarHBondContact CA-O 3.42Å; N362-E390 PolarHBondContact N-O 2.97Å |
| 363 | A | 84.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | trans | -67.7 | 102.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110 | V360 K361 E390 Y461 A463 | V360-A363 HydrophobicContact CB-CB 4.26Å; V360-A363 HydrophobicContact CG1-CB 3.79Å; K361-A363 PolarHBondContact O-N 2.91Å; A363-E390 PolarHBondContact N-O 2.92Å; A363-Y461 HydrophobicContact CB-CD2 4.39Å; A363-Y461 HydrophobicContact CB-CE2 3.81Å; A363-A463 WeakPolarHBondContact O-CB 3.48Å | ||
| 364 | T | 84.8 | Confident | 82.8 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | trans | -95.4 | -50.8 | -180 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | N362 P392 E462 A463 | N362-T364 PolarHBondContact O-N 3.17Å; N362-T364 VanDerWaalsContact O-N 3.12Å; T364-P392 HydrophobicContact CG2-CG 3.84Å; T364-E462 CarbonylContact O-C 3.49Å; T364-E462 VanDerWaalsContact O-CA 3.29Å; T364-E462 WeakPolarHBondContact O-CA 3.35Å; T364-A463 PolarHBondContact O-N 3.43Å | ||
| 365 | V | 85.9 | Confident | 81.3 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 141.7 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 109 | Y461 E462 | V365-Y461 WeakPolarHBondContact CA-O 3.07Å; V365-E462 HydrophobicContact CG2-CB 4.38Å |
| 366 | G | 86.4 | Confident | 80 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -164.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R460 Y461 | G366-R460 WeakPolarHBondContact O-CA 3.25Å; G366-Y461 VanDerWaalsContact C-CE1 3.42Å; G366-Y461 VanDerWaalsContact CA-CZ 3.48Å; G366-Y461 PolarHBondContact N-O 2.82Å; G366-Y461 PolarHBondContact O-N 2.93Å |
| 367 | R | 87.5 | Confident | 78.3 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.3 | 177.5 | -66.7 | -174.7 | 176.9 | -158.2 | -2.6 | 112.2 | L369 E402 N458 I459 R460 | R367-L369 HydrophobicContact CB-CD2 4.16Å; R367-L369 HydrophobicContact CB-CG 4.4Å; R367-E402 VanDerWaalsContact CZ-CD 3.47Å; R367-E402 IonicContact CZ-OE1 2.73Å; R367-E402 VanDerWaalsContact CZ-OE1 3.24Å; R367-E402 IonicContact CZ-OE2 2.78Å; R367-E402 IonicContact NE-OE1 3.21Å; R367-E402 IonicContact NE-OE2 3.83Å; R367-E402 IonicContact NH1-OE2 2.73Å; R367-E402 PolarHBondContact NH1-OE2 2.97Å; R367-E402 IonicContact NH2-OE1 3.61Å; R367-E402 PolarHBondContact NH2-OE1 2.92Å; R367-E402 IonicContact NH2-OE2 3.71Å; R367-E402 PolarHBondContact NH2-OE2 3.41Å; R367-N458 PolarHBondContact NH1-ND2 2.9Å; R367-I459 CarbonylContact C-O 3.45Å; R367-I459 VanDerWaalsContact CA-O 3.26Å; R367-I459 WeakPolarHBondContact CA-O 3.41Å; R367-R460 HydrophobicContact CG-CB 4.29Å |
| 368 | V | 88.4 | Confident | 76.7 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128 | 167.4 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | W387 L389 V444 F457 I459 Y461 | V368-W387 HydrophobicContact CG1-CB 4Å; V368-W387 HydrophobicContact CG1-CD2 3.42Å; V368-W387 VanDerWaalsContact CG1-CD2 3.42Å; V368-W387 HydrophobicContact CG1-CE3 3.83Å; V368-W387 HydrophobicContact CG1-CG 3.51Å; V368-W387 HydrophobicContact CG1-CZ2 4.44Å; V368-W387 HydrophobicContact CG1-CZ3 4.49Å; V368-L389 HydrophobicContact CG2-CD1 4.17Å; V368-L389 HydrophobicContact CG2-CD2 4.14Å; V368-V444 HydrophobicContact CG1-CG1 4.45Å; V368-F457 HydrophobicContact CG1-CE2 4.16Å; V368-I459 HydrophobicContact CB-CB 4.47Å; V368-I459 PolarHBondContact N-O 2.9Å; V368-I459 PolarHBondContact O-N 3.15Å; V368-Y461 HydrophobicContact CG2-CD1 4.01Å; V368-Y461 HydrophobicContact CG2-CE1 3.91Å |
| 369 | L | 85.1 | Confident | 75.1 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154 | -165.8 | -57.4 | 176.3 | 0 | 0 | 0 | 110.9 | Y327 A354 R367 W387 N458 | Y327-L369 HydrophobicContact CD1-CD1 4.39Å; Y327-L369 HydrophobicContact CD2-CD1 3.48Å; Y327-L369 VanDerWaalsContact CD2-CD1 3.48Å; Y327-L369 HydrophobicContact CE1-CD1 4.17Å; Y327-L369 HydrophobicContact CE2-CD1 3.2Å; Y327-L369 HydrophobicContact CG-CD1 4.06Å; A354-L369 HydrophobicContact CB-CB 3.88Å; A354-L369 HydrophobicContact CB-CD1 4.32Å; R367-L369 HydrophobicContact CB-CD2 4.16Å; R367-L369 HydrophobicContact CB-CG 4.4Å; L369-W387 WeakPolarHBondContact O-CZ2 3.07Å; L369-N458 HydrophobicContact CD2-CB 3.95Å; L369-N458 WeakPolarHBondContact CD2-OD1 3.28Å |
| 370 | S | 82.8 | Confident | 73.3 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 131.8 | 168.1 | 41.7 | 0 | 0 | 0 | 0 | 111.2 | A354 G456 F457 | A354-S370 WeakPolarHBondContact CB-O 3.06Å; S370-G456 WeakPolarHBondContact OG-CA 3.48Å; S370-F457 PolarHBondContact N-O 2.79Å; S370-F457 PolarHBondContact OG-N 2.96Å; S370-F457 PolarHBondContact OG-O 2.89Å |
| 371 | P | 81.4 | Confident | 71.8 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 21% | 0.214 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.1 | -175.1 | -17.9 | 27.4 | 0 | 0 | 0 | 112.5 | C356 C385 W387 F446 | C356-P371 HydrophobicContact CB-CB 4.2Å; C356-P371 HydrophobicContact CB-CG 4.25Å; P371-C385 HydrophobicContact CG-CB 4.14Å; P371-C385 WeakPolarHBondContact CG-SG 3.43Å; P371-W387 HydrophobicContact CG-CH2 4Å; P371-W387 HydrophobicContact CG-CZ2 4.11Å; P371-F446 HydrophobicContact CG-CD1 4.48Å |
| 372 | S | 72.8 | Confident | 70.4 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 134.4 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 111 | A354 H374 | A354-S372 PolarHBondContact N-OG 3.32Å; A354-S372 PolarHBondContact O-N 2.94Å; S372-H374 PolarHBondContact O-N 2.96Å |
| 373 | P | 66.6 | Low | 69.6 | Low | 32 Ų | 32 | 69.4 Ų | 69.4 | 21% | 0.208 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -54 | 126.7 | -179 | -29.4 | 36 | 0 | 0 | 0 | 113.3 | P451 | P373-P451 HydrophobicContact CB-CB 4.43Å; P373-P451 HydrophobicContact CG-CB 4.33Å |
| 374 | H | 59.7 | Low | 69.4 | Low | 102 Ų | 102 | 72 Ų | 72 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -70 | 134.7 | 175.8 | -69.8 | -50.2 | 0 | 0 | 0 | 110.8 | S372 A379 | S372-H374 PolarHBondContact O-N 2.96Å; H374-A379 HydrophobicContact CB-CB 3.97Å |
| 375 | H | 53.3 | Low | 69.4 | Low | 139 Ų | 139 | 68.7 Ų | 68.7 | 64% | 0.644 | 39% | 0.386 | S | S | * | . | trans | -123.2 | 108 | 174 | -69.2 | 1 | 0 | 0 | 0 | 108.7 | ||||
| 376 | G | 55.9 | Low | 69.6 | Low | 46 Ų | 46 | 67.3 Ų | 67.3 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 168 | 158.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | N378 A379 | G376-N378 PolarHBondContact O-N 3.41Å; G376-A379 WeakPolarHBondContact O-CB 3.19Å; G376-A379 PolarHBondContact O-N 3.42Å |
| 377 | P | 47.5 | Very low | 69.8 | Low | 138 Ų | 138 | 68.2 Ų | 68.2 | 90% | 0.896 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.4 | -173.9 | 27.7 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 378 | N | 48.7 | Very low | 70 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 26.6 | 177.1 | -67.6 | -0.4 | 0 | 0 | 0 | 112.3 | G376 T380 | G376-N378 PolarHBondContact O-N 3.41Å; N378-T380 PolarHBondContact O-N 2.89Å |
| 379 | A | 52.8 | Low | 70.1 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | trans | -70.9 | 91.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | H374 G376 L381 | H374-A379 HydrophobicContact CB-CB 3.97Å; G376-A379 WeakPolarHBondContact O-CB 3.19Å; G376-A379 PolarHBondContact O-N 3.42Å; A379-L381 PolarHBondContact O-N 3.19Å | ||
| 380 | T | 50.5 | Low | 70.5 | Confident | 101 Ų | 101 | 67.8 Ų | 67.8 | 62% | 0.62 | 39% | 0.385 | S | S | * | . | trans | -62.6 | 124.9 | 157.5 | 42 | 0 | 0 | 0 | 0 | 108.3 | N378 D382 | N378-T380 PolarHBondContact O-N 2.89Å; T380-D382 PolarHBondContact O-N 2.82Å | ||
| 381 | L | 57.3 | Low | 70.7 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | trans | -73.2 | 96.9 | 170 | -83.6 | 76 | 0 | 0 | 0 | 108 | A379 R383 | A379-L381 PolarHBondContact O-N 3.19Å; L381-R383 HydrophobicContact CB-CG 4.35Å; L381-R383 PolarHBondContact O-N 2.82Å | ||
| 382 | D | 59.2 | Low | 71.1 | Confident | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | trans | -71.3 | 77.9 | 171.7 | -73.4 | -18.5 | 0 | 0 | 0 | 109.8 | T380 S384 | T380-D382 PolarHBondContact O-N 2.82Å; D382-S384 PolarHBondContact O-N 2.62Å | ||
| 383 | R | 69.7 | Low | 71.4 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | trans | -60.9 | 0.3 | -178.4 | -72.9 | 180 | 158.8 | 177 | -9 | 115.4 | L381 I447 T448 | L381-R383 HydrophobicContact CB-CG 4.35Å; L381-R383 PolarHBondContact O-N 2.82Å; R383-I447 VanDerWaalsContact O-CA 3.29Å; R383-I447 WeakPolarHBondContact O-CA 3.35Å; R383-I447 WeakPolarHBondContact O-CG2 3.05Å; R383-T448 WeakPolarHBondContact CA-O 3.02Å; R383-T448 WeakPolarHBondContact CB-O 3.11Å; R383-T448 WeakPolarHBondContact CG-O 3.41Å; R383-T448 PolarHBondContact O-N 2.73Å | ||
| 384 | S | 81.3 | Confident | 71.9 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 90.8 | 179.9 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | D382 Q445 F446 | D382-S384 PolarHBondContact O-N 2.62Å; S384-Q445 PolarHBondContact OG-NE2 2.92Å; S384-F446 CarbonylContact C-O 3.58Å; S384-F446 VanDerWaalsContact CA-O 3.27Å; S384-F446 WeakPolarHBondContact CA-O 3.43Å |
| 385 | C | 85.7 | Confident | 73.1 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.034 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 144.7 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | C356 P371 W387 Q445 F446 | C356-C385 HydrophobicContact CB-CB 4.09Å; C356-C385 WeakPolarHBondContact CB-SG 3.02Å; C356-C385 VanDerWaalsContact SG-CA 3.51Å; C356-C385 WeakPolarHBondContact SG-CB 3.42Å; C356-C385 CovalentContact SG-SG 2.03Å; C356-C385 PolarHBondContact SG-SG 3.14Å; P371-C385 HydrophobicContact CG-CB 4.14Å; P371-C385 WeakPolarHBondContact CG-SG 3.43Å; C385-W387 HydrophobicContact CB-CE3 4.45Å; C385-W387 HydrophobicContact CB-CH2 3.31Å; C385-W387 HydrophobicContact CB-CZ2 3.89Å; C385-W387 HydrophobicContact CB-CZ3 3.64Å; C385-Q445 WeakPolarHBondContact O-CA 3.5Å; C385-F446 PolarHBondContact N-O 2.91Å; C385-F446 PolarHBondContact O-N 3.4Å |
| 386 | S | 88.7 | Confident | 74.5 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 118.4 | -175.8 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | G357 G358 V444 | G357-S386 CarbonylContact C-O 3.6Å; G357-S386 WeakPolarHBondContact CA-O 3.45Å; G358-S386 PolarHBondContact N-O 3.06Å; G358-S386 VanDerWaalsContact N-O 3.09Å; S386-V444 CarbonylContact C-O 3.54Å; S386-V444 WeakPolarHBondContact CA-O 3.35Å |
| 387 | W | 91.2 | Very high | 75.9 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.2 | 176.4 | -56.4 | -100.4 | 0 | 0 | 0 | 109.7 | L355 G357 G358 V368 L369 P371 C385 R443 V444 F446 F457 | L355-W387 WeakPolarHBondContact O-CZ2 3.38Å; L355-W387 PolarHBondContact O-NE1 3.04Å; G357-W387 PolarHBondContact O-NE1 3.44Å; G358-W387 CarbonylContact O-C 3.43Å; G358-W387 WeakPolarHBondContact O-CA 3.37Å; V368-W387 HydrophobicContact CG1-CB 4Å; V368-W387 HydrophobicContact CG1-CD2 3.42Å; V368-W387 VanDerWaalsContact CG1-CD2 3.42Å; V368-W387 HydrophobicContact CG1-CE3 3.83Å; V368-W387 HydrophobicContact CG1-CG 3.51Å; V368-W387 HydrophobicContact CG1-CZ2 4.44Å; V368-W387 HydrophobicContact CG1-CZ3 4.49Å; L369-W387 WeakPolarHBondContact O-CZ2 3.07Å; P371-W387 HydrophobicContact CG-CH2 4Å; P371-W387 HydrophobicContact CG-CZ2 4.11Å; C385-W387 HydrophobicContact CB-CE3 4.45Å; C385-W387 HydrophobicContact CB-CH2 3.31Å; C385-W387 HydrophobicContact CB-CZ2 3.89Å; C385-W387 HydrophobicContact CB-CZ3 3.64Å; W387-R443 WeakPolarHBondContact O-CA 3.35Å; W387-V444 HydrophobicContact CB-CB 4.44Å; W387-V444 HydrophobicContact CE3-CB 4.28Å; W387-V444 HydrophobicContact CE3-CG1 4.18Å; W387-V444 PolarHBondContact N-O 2.96Å; W387-V444 PolarHBondContact O-N 3.43Å; W387-F446 HydrophobicContact CH2-CB 4.16Å; W387-F446 HydrophobicContact CZ3-CB 3.77Å; W387-F457 HydrophobicContact CH2-CE1 4.35Å; W387-F457 AromaticContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CZ2-CZ 4.48Å; W387-F457 AromaticContact CZ3-CZ 3.79Å; W387-F457 HydrophobicContact CZ3-CZ 3.79Å |
| 388 | S | 91.6 | Very high | 77.6 | Confident | 20 Ų | 20 | 61 Ų | 61 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.5 | 179.8 | 39.6 | 0 | 0 | 0 | 0 | 109.5 | G358 T359 V360 | G358-S388 PolarHBondContact O-N 3.29Å; G358-S388 PolarHBondContact O-OG 3.03Å; T359-S388 CarbonylContact C-O 3.51Å; T359-S388 WeakPolarHBondContact CA-O 3.41Å; T359-S388 WeakPolarHBondContact CA-OG 3.31Å; T359-S388 WeakPolarHBondContact CB-OG 3.45Å; T359-S388 PolarHBondContact OG1-OG 3.27Å; V360-S388 PolarHBondContact N-O 2.83Å |
| 389 | L | 91.4 | Very high | 79.2 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.1 | -177.6 | -54.8 | 176.7 | 0 | 0 | 0 | 108.1 | V360 V368 L397 L399 A441 V442 Y461 | V360-L389 HydrophobicContact CB-CD2 3.88Å; V360-L389 HydrophobicContact CG2-CD2 3.84Å; V368-L389 HydrophobicContact CG2-CD1 4.17Å; V368-L389 HydrophobicContact CG2-CD2 4.14Å; L389-L397 HydrophobicContact CB-CD1 3.57Å; L389-L397 HydrophobicContact CD1-CD1 4.36Å; L389-L399 HydrophobicContact CD1-CD2 3.94Å; L389-A441 CarbonylContact O-C 3.56Å; L389-A441 WeakPolarHBondContact O-CA 3.32Å; L389-V442 PolarHBondContact N-O 2.96Å; L389-V442 PolarHBondContact O-N 3.44Å; L389-Y461 HydrophobicContact CD1-CD1 3.67Å; L389-Y461 HydrophobicContact CD1-CD2 4.47Å; L389-Y461 HydrophobicContact CD1-CE1 4.13Å; L389-Y461 HydrophobicContact CD1-CG 3.85Å; L389-Y461 HydrophobicContact CD2-CD1 4.2Å; L389-Y461 HydrophobicContact CD2-CE1 3.78Å |
| 390 | E | 91.7 | Very high | 80.4 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 108 | 178.8 | -177 | -179.9 | -155.7 | 0 | 0 | 108.4 | V360 K361 N362 A363 | V360-E390 PolarHBondContact O-N 3.4Å; K361-E390 CarbonylContact C-O 3.59Å; K361-E390 WeakPolarHBondContact CG-OE2 3.41Å; K361-E390 IonicContact NZ-OE1 3.78Å; K361-E390 IonicContact NZ-OE2 2.58Å; K361-E390 PolarHBondContact NZ-OE2 2.88Å; N362-E390 CarbonylContact C-O 3.6Å; N362-E390 WeakPolarHBondContact CA-O 3.42Å; N362-E390 PolarHBondContact N-O 2.97Å; A363-E390 PolarHBondContact N-O 2.92Å |
| 391 | A | 89 | Confident | 81.8 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 168 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L397 P440 A463 | A391-L397 HydrophobicContact CB-CD2 3.92Å; A391-L397 HydrophobicContact CB-CG 4Å; A391-P440 HydrophobicContact CB-CB 4.43Å; A391-P440 WeakPolarHBondContact CB-O 3.45Å; A391-P440 PolarHBondContact N-O 2.82Å; A391-A463 HydrophobicContact CB-CB 4.24Å |
| 392 | P | 87.8 | Confident | 82.5 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -55.9 | 162.6 | 163.7 | -22.8 | 34.8 | 0 | 0 | 0 | 112.7 | T364 D394 Q395 | T364-P392 HydrophobicContact CG2-CG 3.84Å; P392-D394 PolarHBondContact O-N 3.34Å; P392-Q395 PolarHBondContact O-N 2.8Å |
| 393 | K | 80.6 | Confident | 83.2 | Confident | 192 Ų | 192 | 46.2 Ų | 46.2 | 84% | 0.835 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 139.6 | -177.4 | -70 | -174.5 | 177.8 | -178.4 | 0 | 112 | Q395 | K393-Q395 PolarHBondContact O-N 2.78Å; K393-Q395 VanDerWaalsContact O-N 3.08Å |
| 394 | D | 76.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 41.1 Ų | 41.1 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 5.8 | 178.1 | -68.3 | -67.7 | 0 | 0 | 0 | 116.7 | P392 R466 | P392-D394 PolarHBondContact O-N 3.34Å; D394-R466 IonicContact OD1-CZ 3.88Å; D394-R466 IonicContact OD1-NH1 2.77Å; D394-R466 PolarHBondContact OD1-NH1 2.94Å |
| 395 | Q | 83.5 | Confident | 83.1 | Confident | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.159 | 20% | 0.2 | C | C | . | . | trans | -89.6 | 159.8 | 167.8 | -67.2 | -177.7 | -16.1 | 0 | 0 | 111.5 | P392 K393 P440 A463 F464 E465 | P392-Q395 PolarHBondContact O-N 2.8Å; K393-Q395 PolarHBondContact O-N 2.78Å; K393-Q395 VanDerWaalsContact O-N 3.08Å; Q395-P440 WeakPolarHBondContact O-CA 3.41Å; Q395-P440 WeakPolarHBondContact O-CB 3.35Å; Q395-A463 HydrophobicContact CB-CB 4.35Å; Q395-F464 WeakPolarHBondContact CA-O 3.33Å; Q395-F464 VanDerWaalsContact CB-O 3.25Å; Q395-F464 WeakPolarHBondContact CB-O 3.41Å; Q395-E465 HydrophobicContact CG-CG 4.25Å; Q395-E465 PolarHBondContact NE2-OE1 2.78Å | ||
| 396 | R | 84.1 | Confident | 82.6 | Confident | 42 Ų | 42 | 42 Ų | 42 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 159.3 | 169.8 | -78.5 | 174.8 | 167 | 162.8 | -8.3 | 109.3 | S437 E438 A463 F464 D516 | R396-S437 WeakPolarHBondContact CD-O 3.04Å; R396-S437 VanDerWaalsContact CG-O 3.26Å; R396-S437 WeakPolarHBondContact CG-O 3.06Å; R396-S437 PolarHBondContact NE-O 3.24Å; R396-E438 PolarHBondContact NE-O 3.37Å; R396-A463 VanDerWaalsContact O-CA 3.28Å; R396-A463 WeakPolarHBondContact O-CA 3.31Å; R396-F464 HydrophobicContact CB-CD1 4.2Å; R396-F464 HydrophobicContact CB-CE1 3.57Å; R396-F464 HydrophobicContact CB-CE2 4.33Å; R396-F464 HydrophobicContact CB-CZ 3.65Å; R396-F464 PolarHBondContact N-O 3.12Å; R396-F464 WeakPolarHBondContact O-CD1 3.48Å; R396-F464 PolarHBondContact O-N 3.21Å; R396-D516 IonicContact CZ-OD1 2.88Å; R396-D516 IonicContact NH1-OD1 3.7Å; R396-D516 PolarHBondContact NH1-OD1 2.7Å; R396-D516 IonicContact NH1-OD2 2.78Å; R396-D516 IonicContact NH2-OD1 2.87Å; R396-D516 IonicContact NH2-OD2 2.73Å; R396-D516 PolarHBondContact NH2-OD2 3.13Å |
| 397 | L | 85 | Confident | 81.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.4 | 170.2 | -67 | 171 | 0 | 0 | 0 | 109.5 | L389 A391 L399 S437 V442 Y461 E462 A463 | L389-L397 HydrophobicContact CB-CD1 3.57Å; L389-L397 HydrophobicContact CD1-CD1 4.36Å; A391-L397 HydrophobicContact CB-CD2 3.92Å; A391-L397 HydrophobicContact CB-CG 4Å; L397-L399 HydrophobicContact CB-CD1 3.8Å; L397-S437 PolarHBondContact N-OG 3.39Å; L397-S437 PolarHBondContact O-N 2.88Å; L397-S437 PolarHBondContact O-OG 3.23Å; L397-V442 HydrophobicContact CB-CG2 4.35Å; L397-V442 HydrophobicContact CD1-CB 4.09Å; L397-V442 HydrophobicContact CD1-CG2 4.06Å; L397-Y461 HydrophobicContact CD2-CD2 4.38Å; L397-E462 CarbonylContact C-O 3.22Å; L397-E462 WeakPolarHBondContact CA-O 3.11Å; L397-A463 HydrophobicContact CD2-CB 4.15Å |
| 398 | H | 83.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 134 | 159.3 | 175.1 | -137.6 | 0 | 0 | 0 | 107.6 | G434 Y461 E462 F464 Y470 | H398-G434 WeakPolarHBondContact NE2-CA 3.47Å; H398-Y461 VanDerWaalsContact O-CA 3.3Å; H398-Y461 WeakPolarHBondContact O-CA 3.35Å; H398-E462 HydrophobicContact CB-CG 3.89Å; H398-E462 IonicContact CE1-OE1 3.98Å; H398-E462 IonicContact CG-OE1 3.87Å; H398-E462 PolarHBondContact N-O 3.45Å; H398-E462 IonicContact ND1-OE1 3.61Å; H398-E462 PolarHBondContact ND1-OE1 2.81Å; H398-E462 PolarHBondContact O-N 2.78Å; H398-F464 HydrophobicContact CB-CD1 3.87Å; H398-F464 HydrophobicContact CB-CE1 3.85Å; H398-Y470 AromaticContact CE1-CD2 3.24Å; H398-Y470 WeakPolarHBondContact CE1-CD2 3.34Å; H398-Y470 AromaticContact CE1-CE2 3.39Å; H398-Y470 WeakPolarHBondContact CE1-CE2 3.37Å; H398-Y470 AromaticContact CE1-CG 3.62Å; H398-Y470 AromaticContact CE1-CZ 3.85Å; H398-Y470 AromaticContact CG-CG 3.89Å; H398-Y470 AromaticContact ND1-CD2 3.5Å; H398-Y470 AromaticContact ND1-CG 3.51Å; H398-Y470 AromaticContact NE2-CD2 3.93Å; H398-Y470 AromaticContact NE2-CE1 3.91Å; H398-Y470 AromaticContact NE2-CE2 3.79Å; H398-Y470 AromaticContact NE2-CZ 3.76Å |
| 399 | L | 83.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 105.7 | -177.5 | -62.8 | 101.7 | 0 | 0 | 0 | 109.5 | L389 L397 L401 L414 V435 V442 V444 I459 R460 | L389-L399 HydrophobicContact CD1-CD2 3.94Å; L397-L399 HydrophobicContact CB-CD1 3.8Å; L399-L401 WeakPolarHBondContact O-CD1 3.28Å; L399-L414 HydrophobicContact CB-CD2 4.42Å; L399-L414 HydrophobicContact CD2-CD2 3.86Å; L399-V435 HydrophobicContact CB-CB 4.39Å; L399-V435 PolarHBondContact N-O 2.85Å; L399-V435 PolarHBondContact O-N 2.64Å; L399-V442 HydrophobicContact CD1-CG1 4.31Å; L399-V442 HydrophobicContact CD1-CG2 3.98Å; L399-V442 HydrophobicContact CD2-CG1 4.1Å; L399-V444 HydrophobicContact CD2-CG2 4.5Å; L399-I459 HydrophobicContact CB-CG2 3.85Å; L399-I459 HydrophobicContact CD2-CG2 3.86Å; L399-I459 HydrophobicContact CG-CG2 4.39Å; L399-R460 CarbonylContact C-O 3.55Å; L399-R460 VanDerWaalsContact CA-O 3.31Å; L399-R460 WeakPolarHBondContact CA-O 3.38Å |
| 400 | H | 77.9 | Confident | 79.1 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 17% | 0.167 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.6 | 179.4 | -172.3 | 95.4 | 0 | 0 | 0 | 110.2 | E402 I459 R460 Y473 | H400-E402 PolarHBondContact O-N 2.97Å; H400-I459 WeakPolarHBondContact O-CA 3.3Å; H400-R460 PolarHBondContact N-O 2.98Å; H400-R460 PolarHBondContact O-N 2.82Å; H400-Y473 AromaticContact CD2-CD1 3.65Å; H400-Y473 AromaticContact CE1-CD1 3.68Å; H400-Y473 AromaticContact NE2-CD1 3.37Å; H400-Y473 WeakPolarHBondContact NE2-CD1 3.42Å; H400-Y473 AromaticContact NE2-CE1 3.98Å |
| 401 | L | 78.6 | Confident | 78.8 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 72.7 | -174.6 | -78.9 | 70.6 | 0 | 0 | 0 | 110.6 | L399 R403 P431 V435 N458 I459 | L399-L401 WeakPolarHBondContact O-CD1 3.28Å; L401-R403 PolarHBondContact O-N 3.04Å; L401-P431 HydrophobicContact CB-CG 4.46Å; L401-P431 HydrophobicContact CD2-CB 3.9Å; L401-P431 HydrophobicContact CD2-CG 3.57Å; L401-V435 HydrophobicContact CD1-CB 4.46Å; L401-V435 HydrophobicContact CD1-CG2 3.95Å; L401-N458 CarbonylContact C-O 3.43Å; L401-I459 HydrophobicContact CG-CG1 4.2Å |
| 402 | E | 72.6 | Confident | 78.7 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | -26.2 | -178.9 | -63.7 | -176.1 | -171.7 | 0 | 0 | 113.9 | R367 H400 N458 R460 Y473 | R367-E402 VanDerWaalsContact CZ-CD 3.47Å; R367-E402 IonicContact CZ-OE1 2.73Å; R367-E402 VanDerWaalsContact CZ-OE1 3.24Å; R367-E402 IonicContact CZ-OE2 2.78Å; R367-E402 IonicContact NE-OE1 3.21Å; R367-E402 IonicContact NE-OE2 3.83Å; R367-E402 IonicContact NH1-OE2 2.73Å; R367-E402 PolarHBondContact NH1-OE2 2.97Å; R367-E402 IonicContact NH2-OE1 3.61Å; R367-E402 PolarHBondContact NH2-OE1 2.92Å; R367-E402 IonicContact NH2-OE2 3.71Å; R367-E402 PolarHBondContact NH2-OE2 3.41Å; H400-E402 PolarHBondContact O-N 2.97Å; E402-N458 HydrophobicContact CB-CB 4.35Å; E402-N458 WeakPolarHBondContact CB-ND2 3.15Å; E402-N458 PolarHBondContact N-O 3.46Å; E402-N458 PolarHBondContact OE2-ND2 3.14Å; E402-R460 HydrophobicContact CG-CB 4.22Å; E402-R460 VanDerWaalsContact OE1-CB 3.3Å; E402-R460 WeakPolarHBondContact OE1-CB 3.44Å; E402-R460 VanDerWaalsContact OE1-CD 3.31Å; E402-R460 WeakPolarHBondContact OE1-CD 3.37Å; E402-Y473 HydrophobicContact CG-CE1 4.19Å |
| 403 | R | 73.8 | Confident | 78.7 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 36% | 0.362 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 136.1 | 169 | -175.6 | 171.2 | 171 | 140.5 | -0.6 | 110.2 | L401 F457 N458 E548 | L401-R403 PolarHBondContact O-N 3.04Å; R403-F457 CarbonylContact O-C 3.57Å; R403-F457 WeakPolarHBondContact O-CA 3.46Å; R403-N458 HydrophobicContact CB-CB 3.98Å; R403-N458 PolarHBondContact N-O 2.93Å; R403-N458 PolarHBondContact O-N 3.01Å; R403-E548 IonicContact CZ-OE1 2.75Å; R403-E548 IonicContact CZ-OE2 2.7Å; R403-E548 IonicContact NH1-OE1 3.63Å; R403-E548 PolarHBondContact NH1-OE1 2.85Å; R403-E548 IonicContact NH1-OE2 3.77Å; R403-E548 PolarHBondContact NH1-OE2 3.33Å; R403-E548 IonicContact NH2-OE2 2.68Å |
| 404 | L | 75.5 | Confident | 79.1 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 100.2 | 166.1 | -171.6 | 69.4 | 0 | 0 | 0 | 111.1 | L406 L412 F426 P431 F457 | L404-L406 HydrophobicContact CD1-CD1 3.99Å; L404-L406 HydrophobicContact CD1-CD2 3.7Å; L404-L406 HydrophobicContact CD1-CG 3.62Å; L404-L406 HydrophobicContact CD2-CD1 4.31Å; L404-L406 HydrophobicContact CD2-CG 4.45Å; L404-L406 HydrophobicContact CG-CD1 4.33Å; L404-L406 HydrophobicContact CG-CG 3.95Å; L404-L412 HydrophobicContact CD1-CD2 3.45Å; L404-L412 VanDerWaalsContact CD1-CD2 3.45Å; L404-F426 HydrophobicContact CD2-CE1 4.01Å; L404-F426 HydrophobicContact CD2-CZ 3.61Å; L404-P431 HydrophobicContact CB-CG 4.44Å; L404-P431 HydrophobicContact CD2-CG 3.61Å; L404-F457 HydrophobicContact CD1-CB 3.77Å |
| 405 | A | 72.6 | Confident | 79.6 | Confident | 36 Ų | 36 | 39.1 Ų | 39.1 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 84.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | T455 G456 | A405-T455 CarbonylContact O-C 3.59Å; A405-T455 WeakPolarHBondContact O-CA 3.45Å; A405-T455 VanDerWaalsContact O-CB 3.28Å; A405-T455 WeakPolarHBondContact O-CB 3.37Å; A405-G456 CarbonylContact C-O 3.56Å; A405-G456 PolarHBondContact N-O 3.29Å; A405-G456 PolarHBondContact O-N 3.17Å |
| 406 | L | 75.2 | Confident | 79.7 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | trans | -86.9 | 139.5 | 178.9 | -61.1 | -177.9 | 0 | 0 | 0 | 110.9 | L404 D410 L412 S428 F446 | L404-L406 HydrophobicContact CD1-CD1 3.99Å; L404-L406 HydrophobicContact CD1-CD2 3.7Å; L404-L406 HydrophobicContact CD1-CG 3.62Å; L404-L406 HydrophobicContact CD2-CD1 4.31Å; L404-L406 HydrophobicContact CD2-CG 4.45Å; L404-L406 HydrophobicContact CG-CD1 4.33Å; L404-L406 HydrophobicContact CG-CG 3.95Å; L406-D410 HydrophobicContact CB-CB 4.08Å; L406-D410 HydrophobicContact CD2-CB 4.21Å; L406-L412 HydrophobicContact CD1-CB 3.95Å; L406-L412 HydrophobicContact CD2-CB 4.21Å; L406-S428 WeakPolarHBondContact CD1-OG 3.15Å; L406-F446 HydrophobicContact CD2-CD2 4.4Å; L406-F446 HydrophobicContact CD2-CE2 3.86Å | ||
| 407 | G | 68.7 | Low | 79.8 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | trans | -66.5 | 163.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T409 D410 | G407-T409 PolarHBondContact O-N 3.09Å; G407-D410 WeakPolarHBondContact CA-OD2 3.35Å; G407-D410 PolarHBondContact N-OD2 3.21Å; G407-D410 PolarHBondContact O-N 2.73Å | ||
| 408 | P | 70.1 | Confident | 79.6 | Confident | 143 Ų | 143 | 39.7 Ų | 39.7 | 93% | 0.929 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.4 | -178.2 | 28.8 | -36.8 | 0 | 0 | 0 | 114.1 | ||
| 409 | T | 72.7 | Confident | 79.4 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 52% | 0.515 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -10 | 177.8 | 42.4 | 0 | 0 | 0 | 0 | 113.4 | G407 D449 | G407-T409 PolarHBondContact O-N 3.09Å; T409-D449 VanDerWaalsContact CB-OD1 3.25Å; T409-D449 WeakPolarHBondContact CB-OD1 3.27Å; T409-D449 PolarHBondContact OG1-OD1 2.89Å |
| 410 | D | 79.4 | Confident | 78.4 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | trans | -81.5 | 141.5 | -178.5 | -69.5 | -35.1 | 0 | 0 | 0 | 111 | L406 G407 F446 I447 T448 T455 | L406-D410 HydrophobicContact CB-CB 4.08Å; L406-D410 HydrophobicContact CD2-CB 4.21Å; G407-D410 WeakPolarHBondContact CA-OD2 3.35Å; G407-D410 PolarHBondContact N-OD2 3.21Å; G407-D410 PolarHBondContact O-N 2.73Å; D410-F446 HydrophobicContact CB-CE2 4.09Å; D410-F446 HydrophobicContact CB-CZ 4.5Å; D410-I447 CarbonylContact C-O 3.49Å; D410-I447 WeakPolarHBondContact CA-O 3.45Å; D410-T448 VanDerWaalsContact OD1-CA 3.32Å; D410-T448 WeakPolarHBondContact OD1-CA 3.48Å; D410-T448 WeakPolarHBondContact OD1-CB 3.28Å; D410-T448 PolarHBondContact OD1-OG1 3.33Å; D410-T455 PolarHBondContact OD2-OG1 2.97Å | ||
| 411 | R | 84.9 | Confident | 77.9 | Confident | 118 Ų | 118 | 52.9 Ų | 52.9 | 45% | 0.445 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.1 | 177.8 | -163 | -179.6 | -178.6 | 177.7 | 1.1 | 112.8 | V413 D427 S428 F446 I447 | R411-V413 HydrophobicContact CG-CG2 4Å; R411-D427 IonicContact CZ-OD1 2.89Å; R411-D427 VanDerWaalsContact CZ-OD1 3.29Å; R411-D427 IonicContact CZ-OD2 2.71Å; R411-D427 IonicContact NE-OD1 2.81Å; R411-D427 PolarHBondContact NE-OD1 3.04Å; R411-D427 IonicContact NE-OD2 2.66Å; R411-D427 VanDerWaalsContact NH2-CG 3.25Å; R411-D427 IonicContact NH2-OD1 3.85Å; R411-D427 PolarHBondContact NH2-OD1 3Å; R411-D427 IonicContact NH2-OD2 3.72Å; R411-D427 PolarHBondContact NH2-OD2 2.71Å; R411-S428 VanDerWaalsContact CA-OG 3.29Å; R411-S428 WeakPolarHBondContact CA-OG 3.42Å; R411-F446 CarbonylContact O-C 3.49Å; R411-F446 WeakPolarHBondContact O-CA 3.44Å; R411-I447 HydrophobicContact CB-CB 4.3Å; R411-I447 PolarHBondContact N-O 2.95Å; R411-I447 PolarHBondContact O-N 3.42Å |
| 412 | L | 86.4 | Confident | 78 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.8 | 173.4 | -176.6 | 71.5 | 0 | 0 | 0 | 109.6 | L404 L406 L414 F426 D427 S428 V444 Q445 F446 F457 I459 | L404-L412 HydrophobicContact CD1-CD2 3.45Å; L404-L412 VanDerWaalsContact CD1-CD2 3.45Å; L406-L412 HydrophobicContact CD1-CB 3.95Å; L406-L412 HydrophobicContact CD2-CB 4.21Å; L412-L414 HydrophobicContact CD2-CD1 4.36Å; L412-L414 HydrophobicContact CG-CD1 4.34Å; L412-F426 HydrophobicContact CD2-CE1 4.36Å; L412-D427 WeakPolarHBondContact O-CA 3.31Å; L412-S428 PolarHBondContact N-OG 3.3Å; L412-S428 VanDerWaalsContact N-OG 3.08Å; L412-S428 PolarHBondContact O-N 2.66Å; L412-V444 HydrophobicContact CD1-CG1 3.85Å; L412-Q445 WeakPolarHBondContact CA-O 3.07Å; L412-F446 HydrophobicContact CD1-CB 4.08Å; L412-F446 HydrophobicContact CD1-CD2 4.34Å; L412-F457 HydrophobicContact CD1-CD1 4.21Å; L412-F457 HydrophobicContact CD1-CD2 4.44Å; L412-F457 HydrophobicContact CD1-CE1 4.16Å; L412-F457 HydrophobicContact CD1-CE2 4.38Å; L412-F457 HydrophobicContact CD1-CG 4.37Å; L412-F457 HydrophobicContact CD1-CZ 4.25Å; L412-F457 HydrophobicContact CD2-CB 4.37Å; L412-F457 HydrophobicContact CD2-CG 4.28Å; L412-I459 HydrophobicContact CD1-CD1 4.47Å; L412-I459 HydrophobicContact CD2-CD1 4.27Å |
| 413 | V | 87.4 | Confident | 78.3 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.3 | -179.1 | -164.7 | 0 | 0 | 0 | 0 | 110.3 | R411 W415 V424 F426 D427 Q445 | R411-V413 HydrophobicContact CG-CG2 4Å; V413-W415 HydrophobicContact CG1-CD2 4.46Å; V413-W415 HydrophobicContact CG1-CZ2 3.96Å; V413-V424 HydrophobicContact CG1-CG1 3.96Å; V413-F426 CarbonylContact C-O 3.59Å; V413-F426 VanDerWaalsContact CA-O 3.32Å; V413-F426 WeakPolarHBondContact CA-O 3.38Å; V413-F426 WeakPolarHBondContact CG1-O 3.35Å; V413-D427 HydrophobicContact CG1-CB 4.38Å; V413-Q445 PolarHBondContact N-O 3.21Å; V413-Q445 PolarHBondContact O-N 3.07Å |
| 414 | L | 88.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.6 | 171.7 | -72.1 | 100 | 0 | 0 | 0 | 110.8 | L399 L412 L425 F426 V442 R443 V444 | L399-L414 HydrophobicContact CB-CD2 4.42Å; L399-L414 HydrophobicContact CD2-CD2 3.86Å; L412-L414 HydrophobicContact CD2-CD1 4.36Å; L412-L414 HydrophobicContact CG-CD1 4.34Å; L414-L425 HydrophobicContact CB-CB 4.35Å; L414-L425 PolarHBondContact O-N 2.82Å; L414-F426 HydrophobicContact CB-CB 4.27Å; L414-F426 HydrophobicContact CD1-CB 3.9Å; L414-F426 HydrophobicContact CD1-CD1 3.81Å; L414-F426 HydrophobicContact CD1-CG 4.2Å; L414-F426 PolarHBondContact N-O 2.95Å; L414-F426 PolarHBondContact O-N 3.33Å; L414-V442 HydrophobicContact CD2-CG1 4.37Å; L414-R443 WeakPolarHBondContact CA-O 3.32Å; L414-V444 HydrophobicContact CD2-CG2 3.99Å; L414-V444 HydrophobicContact CG-CG2 4.28Å |
| 415 | W | 88.1 | Confident | 78.8 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.9 | -175.7 | -57.8 | 80.6 | 0 | 0 | 0 | 111.5 | V413 G417 V423 V424 V442 R443 | V413-W415 HydrophobicContact CG1-CD2 4.46Å; V413-W415 HydrophobicContact CG1-CZ2 3.96Å; W415-G417 PolarHBondContact O-N 3.19Å; W415-V423 CarbonylContact C-O 3.55Å; W415-V423 WeakPolarHBondContact CA-O 3.47Å; W415-V424 HydrophobicContact CD2-CG2 4.19Å; W415-V424 HydrophobicContact CE3-CG2 3.69Å; W415-V424 HydrophobicContact CH2-CG2 3.7Å; W415-V424 HydrophobicContact CZ2-CG2 4.19Å; W415-V424 HydrophobicContact CZ3-CG2 3.42Å; W415-V424 VanDerWaalsContact CZ3-CG2 3.42Å; W415-V442 VanDerWaalsContact O-CA 3.27Å; W415-V442 WeakPolarHBondContact O-CA 3.27Å; W415-R443 HydrophobicContact CB-CB 4.2Å; W415-R443 PolarHBondContact N-O 2.99Å; W415-R443 PolarHBondContact O-N 3.37Å; W415-R443 VanDerWaalsContact O-N 3.1Å |
| 416 | S | 86.1 | Confident | 79.1 | Confident | 15 Ų | 15 | 53 Ų | 53 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 62.2 | 174.1 | -164.5 | 0 | 0 | 0 | 0 | 111.3 | S422 V423 E438 | S416-S422 VanDerWaalsContact O-CB 3.27Å; S416-S422 WeakPolarHBondContact O-CB 3.3Å; S416-V423 WeakPolarHBondContact CB-O 3.29Å; S416-V423 PolarHBondContact N-O 2.55Å; S416-E438 VanDerWaalsContact CB-OE2 3.24Å; S416-E438 WeakPolarHBondContact CB-OE2 3.46Å; S416-E438 VanDerWaalsContact OG-CB 3.32Å; S416-E438 WeakPolarHBondContact OG-CB 3.23Å; S416-E438 WeakPolarHBondContact OG-CG 3.35Å; S416-E438 PolarHBondContact OG-N 3.23Å; S416-E438 PolarHBondContact OG-OE2 2.83Å |
| 417 | G | 84.8 | Confident | 79.4 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 141 | -175.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W415 A441 R443 | W415-G417 PolarHBondContact O-N 3.19Å; G417-A441 VanDerWaalsContact CA-O 3.29Å; G417-A441 WeakPolarHBondContact CA-O 3.5Å; G417-A441 PolarHBondContact N-O 3.45Å; G417-R443 PolarHBondContact O-N 2.82Å |
| 418 | L | 81 | Confident | 79.2 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -105.6 | -9.3 | 178.5 | -56.9 | -179.7 | 0 | 0 | 0 | 113.1 | A441 R443 | L418-A441 HydrophobicContact CD1-CB 4.38Å; L418-A441 HydrophobicContact CG-CB 4.04Å; L418-R443 HydrophobicContact CD2-CB 4.34Å; L418-R443 PolarHBondContact O-NH1 2.97Å; L418-R443 PolarHBondContact O-NH2 3.3Å |
| 419 | D | 79.7 | Confident | 78.8 | Confident | 131 Ų | 131 | 51 Ų | 51 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -84.2 | 153 | 179.1 | -65.5 | -57.2 | 0 | 0 | 0 | 112.6 | G421 S422 | D419-G421 PolarHBondContact O-N 3.13Å; D419-G421 VanDerWaalsContact O-N 3.09Å; D419-S422 WeakPolarHBondContact O-CB 3.32Å; D419-S422 PolarHBondContact O-N 2.92Å; D419-S422 PolarHBondContact O-OG 3.3Å |
| 420 | A | 62.6 | Low | 77.6 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 88% | 0.876 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 1.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 421 | G | 65.8 | Low | 76.2 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 78% | 0.784 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 22.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D419 | D419-G421 PolarHBondContact O-N 3.13Å; D419-G421 VanDerWaalsContact O-N 3.09Å |
| 422 | S | 80.7 | Confident | 74.6 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 155.8 | 173.7 | 42.3 | 0 | 0 | 0 | 0 | 111.8 | S416 D419 | S416-S422 VanDerWaalsContact O-CB 3.27Å; S416-S422 WeakPolarHBondContact O-CB 3.3Å; D419-S422 WeakPolarHBondContact O-CB 3.32Å; D419-S422 PolarHBondContact O-N 2.92Å; D419-S422 PolarHBondContact O-OG 3.3Å |
| 423 | V | 80.6 | Confident | 73.2 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 134.1 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | W415 S416 L425 E438 | W415-V423 CarbonylContact C-O 3.55Å; W415-V423 WeakPolarHBondContact CA-O 3.47Å; S416-V423 WeakPolarHBondContact CB-O 3.29Å; S416-V423 PolarHBondContact N-O 2.55Å; V423-L425 PolarHBondContact O-N 3.42Å; V423-E438 WeakPolarHBondContact CB-OE2 3.41Å; V423-E438 WeakPolarHBondContact CG2-OE2 3.42Å |
| 424 | V | 82.3 | Confident | 72.1 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.9 | 170.2 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | V413 W415 F426 D427 | V413-V424 HydrophobicContact CG1-CG1 3.96Å; W415-V424 HydrophobicContact CD2-CG2 4.19Å; W415-V424 HydrophobicContact CE3-CG2 3.69Å; W415-V424 HydrophobicContact CH2-CG2 3.7Å; W415-V424 HydrophobicContact CZ2-CG2 4.19Å; W415-V424 HydrophobicContact CZ3-CG2 3.42Å; W415-V424 VanDerWaalsContact CZ3-CG2 3.42Å; V424-F426 WeakPolarHBondContact CG1-O 3.39Å; V424-D427 HydrophobicContact CG1-CB 3.87Å |
| 425 | L | 75.9 | Confident | 71.5 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -34.4 | 178.8 | -62.6 | 172.6 | 0 | 0 | 0 | 111.8 | L414 V423 V435 | L414-L425 HydrophobicContact CB-CB 4.35Å; L414-L425 PolarHBondContact O-N 2.82Å; V423-L425 PolarHBondContact O-N 3.42Å; L425-V435 HydrophobicContact CB-CG1 3.62Å; L425-V435 HydrophobicContact CD1-CG1 4.02Å; L425-V435 HydrophobicContact CG-CG1 4.37Å |
| 426 | F | 79.6 | Confident | 71.1 | Confident | 23 Ų | 23 | 62 Ų | 62 | 10% | 0.101 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 145 | 177.7 | 176.5 | -91.6 | 0 | 0 | 0 | 110.1 | L404 L412 V413 L414 V424 G429 P431 V435 | L404-F426 HydrophobicContact CD2-CE1 4.01Å; L404-F426 HydrophobicContact CD2-CZ 3.61Å; L412-F426 HydrophobicContact CD2-CE1 4.36Å; V413-F426 CarbonylContact C-O 3.59Å; V413-F426 VanDerWaalsContact CA-O 3.32Å; V413-F426 WeakPolarHBondContact CA-O 3.38Å; V413-F426 WeakPolarHBondContact CG1-O 3.35Å; L414-F426 HydrophobicContact CB-CB 4.27Å; L414-F426 HydrophobicContact CD1-CB 3.9Å; L414-F426 HydrophobicContact CD1-CD1 3.81Å; L414-F426 HydrophobicContact CD1-CG 4.2Å; L414-F426 PolarHBondContact N-O 2.95Å; L414-F426 PolarHBondContact O-N 3.33Å; V424-F426 WeakPolarHBondContact CG1-O 3.39Å; F426-G429 WeakPolarHBondContact CZ-O 3.42Å; F426-P431 HydrophobicContact CD2-CB 4.14Å; F426-P431 HydrophobicContact CE2-CB 3.64Å; F426-P431 HydrophobicContact CE2-CG 3.77Å; F426-P431 HydrophobicContact CZ-CB 4.32Å; F426-P431 HydrophobicContact CZ-CG 3.94Å; F426-V435 HydrophobicContact CB-CG2 4.43Å |
| 427 | D | 81.4 | Confident | 71 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 94.6 | 179.7 | -179.4 | 20.3 | 0 | 0 | 0 | 110.6 | R411 L412 V413 V424 G429 | R411-D427 IonicContact CZ-OD1 2.89Å; R411-D427 VanDerWaalsContact CZ-OD1 3.29Å; R411-D427 IonicContact CZ-OD2 2.71Å; R411-D427 IonicContact NE-OD1 2.81Å; R411-D427 PolarHBondContact NE-OD1 3.04Å; R411-D427 IonicContact NE-OD2 2.66Å; R411-D427 VanDerWaalsContact NH2-CG 3.25Å; R411-D427 IonicContact NH2-OD1 3.85Å; R411-D427 PolarHBondContact NH2-OD1 3Å; R411-D427 IonicContact NH2-OD2 3.72Å; R411-D427 PolarHBondContact NH2-OD2 2.71Å; L412-D427 WeakPolarHBondContact O-CA 3.31Å; V413-D427 HydrophobicContact CG1-CB 4.38Å; V424-D427 HydrophobicContact CG1-CB 3.87Å; D427-G429 PolarHBondContact O-N 2.86Å |
| 428 | S | 65.8 | Low | 70.8 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 40.2 | 41.3 | 172.8 | -80.8 | 0 | 0 | 0 | 0 | 117.3 | L406 R411 L412 | L406-S428 WeakPolarHBondContact CD1-OG 3.15Å; R411-S428 VanDerWaalsContact CA-OG 3.29Å; R411-S428 WeakPolarHBondContact CA-OG 3.42Å; L412-S428 PolarHBondContact N-OG 3.3Å; L412-S428 VanDerWaalsContact N-OG 3.08Å; L412-S428 PolarHBondContact O-N 2.66Å |
| 429 | G | 60 | Low | 70.9 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -93.7 | -164.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F426 D427 P431 | F426-G429 WeakPolarHBondContact CZ-O 3.42Å; D427-G429 PolarHBondContact O-N 2.86Å; G429-P431 WeakPolarHBondContact O-CD 3.49Å |
| 430 | I | 49.1 | Very low | 71.2 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | trans | -95.6 | 113.1 | 161.9 | -45.3 | 171.9 | 0 | 0 | 0 | 107.1 | F432 | I430-F432 HydrophobicContact CB-CD2 4.36Å; I430-F432 HydrophobicContact CB-CE2 3.82Å; I430-F432 HydrophobicContact CB-CZ 4.39Å; I430-F432 HydrophobicContact CD1-CE2 4.42Å; I430-F432 HydrophobicContact CG2-CD2 3.96Å; I430-F432 HydrophobicContact CG2-CE1 4.2Å; I430-F432 HydrophobicContact CG2-CE2 3.37Å; I430-F432 HydrophobicContact CG2-CZ 3.52Å | ||
| 431 | P | 49.6 | Very low | 72.5 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 22% | 0.221 | 34% | 0.339 | C | S | . | . | trans | -84.3 | 119.8 | 171.9 | 30.7 | -26 | 0 | 0 | 0 | 109.2 | L401 L404 F426 G429 | L401-P431 HydrophobicContact CB-CG 4.46Å; L401-P431 HydrophobicContact CD2-CB 3.9Å; L401-P431 HydrophobicContact CD2-CG 3.57Å; L404-P431 HydrophobicContact CB-CG 4.44Å; L404-P431 HydrophobicContact CD2-CG 3.61Å; F426-P431 HydrophobicContact CD2-CB 4.14Å; F426-P431 HydrophobicContact CE2-CB 3.64Å; F426-P431 HydrophobicContact CE2-CG 3.77Å; F426-P431 HydrophobicContact CZ-CB 4.32Å; F426-P431 HydrophobicContact CZ-CG 3.94Å; G429-P431 WeakPolarHBondContact O-CD 3.49Å | ||
| 432 | F | 50.4 | Low | 73.6 | Confident | 123 Ų | 123 | 52.6 Ų | 52.6 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | trans | -105.9 | 8.1 | 165.5 | -65 | -80.5 | 0 | 0 | 0 | 111.4 | I430 | I430-F432 HydrophobicContact CB-CD2 4.36Å; I430-F432 HydrophobicContact CB-CE2 3.82Å; I430-F432 HydrophobicContact CB-CZ 4.39Å; I430-F432 HydrophobicContact CD1-CE2 4.42Å; I430-F432 HydrophobicContact CG2-CD2 3.96Å; I430-F432 HydrophobicContact CG2-CE1 4.2Å; I430-F432 HydrophobicContact CG2-CE2 3.37Å; I430-F432 HydrophobicContact CG2-CZ 3.52Å | ||
| 433 | E | 57.4 | Low | 74.1 | Confident | 136 Ų | 136 | 54.7 Ų | 54.7 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -135.6 | 142.7 | -167.9 | -51.7 | -173.2 | 169.9 | 0 | 0 | 110.7 | T522 | E433-T522 HydrophobicContact CG-CG2 3.81Š|
| 434 | G | 64.3 | Low | 74.5 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 133.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H398 | H398-G434 WeakPolarHBondContact NE2-CA 3.47Š|
| 435 | V | 77.1 | Confident | 74.8 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.6 | -171.3 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L399 L401 L425 F426 | L399-V435 HydrophobicContact CB-CB 4.39Å; L399-V435 PolarHBondContact N-O 2.85Å; L399-V435 PolarHBondContact O-N 2.64Å; L401-V435 HydrophobicContact CD1-CB 4.46Å; L401-V435 HydrophobicContact CD1-CG2 3.95Å; L425-V435 HydrophobicContact CB-CG1 3.62Å; L425-V435 HydrophobicContact CD1-CG1 4.02Å; L425-V435 HydrophobicContact CG-CG1 4.37Å; F426-V435 HydrophobicContact CB-CG2 4.43Å |
| 436 | I | 78.5 | Confident | 75.3 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.6 | 177.5 | -59.3 | 174.7 | 0 | 0 | 0 | 110.9 | F464 Y470 | I436-F464 HydrophobicContact CG2-CE1 4.13Å; I436-F464 HydrophobicContact CG2-CZ 3.77Å; I436-Y470 HydrophobicContact CD1-CD1 3.85Å; I436-Y470 HydrophobicContact CD1-CE1 3.89Å; I436-Y470 HydrophobicContact CG1-CD1 4.23Å; I436-Y470 HydrophobicContact CG1-CE1 4.3Å |
| 437 | S | 85.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 140.6 | 172.1 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | R396 L397 G439 | R396-S437 WeakPolarHBondContact CD-O 3.04Å; R396-S437 VanDerWaalsContact CG-O 3.26Å; R396-S437 WeakPolarHBondContact CG-O 3.06Å; R396-S437 PolarHBondContact NE-O 3.24Å; L397-S437 PolarHBondContact N-OG 3.39Å; L397-S437 PolarHBondContact O-N 2.88Å; L397-S437 PolarHBondContact O-OG 3.23Å; S437-G439 VanDerWaalsContact C-N 3.34Å; S437-G439 WeakPolarHBondContact CB-O 3.01Å; S437-G439 PolarHBondContact O-N 3.31Å; S437-G439 PolarHBondContact OG-O 2.04Å |
| 438 | E | 80.5 | Confident | 75.4 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -70.2 | -35.2 | 179.3 | -56.8 | 165.5 | 119.4 | 0 | 0 | 111.6 | R396 S416 V423 | R396-E438 PolarHBondContact NE-O 3.37Å; S416-E438 VanDerWaalsContact CB-OE2 3.24Å; S416-E438 WeakPolarHBondContact CB-OE2 3.46Å; S416-E438 VanDerWaalsContact OG-CB 3.32Å; S416-E438 WeakPolarHBondContact OG-CB 3.23Å; S416-E438 WeakPolarHBondContact OG-CG 3.35Å; S416-E438 PolarHBondContact OG-N 3.23Å; S416-E438 PolarHBondContact OG-OE2 2.83Å; V423-E438 WeakPolarHBondContact CB-OE2 3.41Å; V423-E438 WeakPolarHBondContact CG2-OE2 3.42Å |
| 439 | G | 82.1 | Confident | 75.6 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -124.8 | -172.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S437 A441 | S437-G439 VanDerWaalsContact C-N 3.34Å; S437-G439 WeakPolarHBondContact CB-O 3.01Å; S437-G439 PolarHBondContact O-N 3.31Å; S437-G439 PolarHBondContact OG-O 2.04Å; G439-A441 VanDerWaalsContact C-N 3.28Å; G439-A441 PolarHBondContact O-N 2.79Å |
| 440 | P | 86.8 | Confident | 75.7 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -81.2 | 7 | -168.5 | 34.3 | -38.6 | 0 | 0 | 0 | 115 | A391 Q395 | A391-P440 HydrophobicContact CB-CB 4.43Å; A391-P440 WeakPolarHBondContact CB-O 3.45Å; A391-P440 PolarHBondContact N-O 2.82Å; Q395-P440 WeakPolarHBondContact O-CA 3.41Å; Q395-P440 WeakPolarHBondContact O-CB 3.35Å |
| 441 | A | 88.8 | Confident | 75.9 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 145.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L389 G417 L418 G439 | L389-A441 CarbonylContact O-C 3.56Å; L389-A441 WeakPolarHBondContact O-CA 3.32Å; G417-A441 VanDerWaalsContact CA-O 3.29Å; G417-A441 WeakPolarHBondContact CA-O 3.5Å; G417-A441 PolarHBondContact N-O 3.45Å; L418-A441 HydrophobicContact CD1-CB 4.38Å; L418-A441 HydrophobicContact CG-CB 4.04Å; G439-A441 VanDerWaalsContact C-N 3.28Å; G439-A441 PolarHBondContact O-N 2.79Å |
| 442 | V | 90 | Very high | 76.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.1 | -179.8 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | L389 L397 L399 L414 W415 V444 | L389-V442 PolarHBondContact N-O 2.96Å; L389-V442 PolarHBondContact O-N 3.44Å; L397-V442 HydrophobicContact CB-CG2 4.35Å; L397-V442 HydrophobicContact CD1-CB 4.09Å; L397-V442 HydrophobicContact CD1-CG2 4.06Å; L399-V442 HydrophobicContact CD1-CG1 4.31Å; L399-V442 HydrophobicContact CD1-CG2 3.98Å; L399-V442 HydrophobicContact CD2-CG1 4.1Å; L414-V442 HydrophobicContact CD2-CG1 4.37Å; W415-V442 VanDerWaalsContact O-CA 3.27Å; W415-V442 WeakPolarHBondContact O-CA 3.27Å; V442-V444 HydrophobicContact CG1-CG2 4.31Å |
| 443 | R | 90.1 | Very high | 76.2 | Confident | 63 Ų | 63 | 53 Ų | 53 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.2 | 163.9 | 172.7 | -178.2 | -69.4 | 119.7 | 3.5 | 109.6 | W387 L414 W415 G417 L418 | W387-R443 WeakPolarHBondContact O-CA 3.35Å; L414-R443 WeakPolarHBondContact CA-O 3.32Å; W415-R443 HydrophobicContact CB-CB 4.2Å; W415-R443 PolarHBondContact N-O 2.99Å; W415-R443 PolarHBondContact O-N 3.37Å; W415-R443 VanDerWaalsContact O-N 3.1Å; G417-R443 PolarHBondContact O-N 2.82Å; L418-R443 HydrophobicContact CD2-CB 4.34Å; L418-R443 PolarHBondContact O-NH1 2.97Å; L418-R443 PolarHBondContact O-NH2 3.3Å |
| 444 | V | 89.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127 | 167.9 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | V368 S386 W387 L399 L412 L414 V442 I459 | V368-V444 HydrophobicContact CG1-CG1 4.45Å; S386-V444 CarbonylContact C-O 3.54Å; S386-V444 WeakPolarHBondContact CA-O 3.35Å; W387-V444 HydrophobicContact CB-CB 4.44Å; W387-V444 HydrophobicContact CE3-CB 4.28Å; W387-V444 HydrophobicContact CE3-CG1 4.18Å; W387-V444 PolarHBondContact N-O 2.96Å; W387-V444 PolarHBondContact O-N 3.43Å; L399-V444 HydrophobicContact CD2-CG2 4.5Å; L412-V444 HydrophobicContact CD1-CG1 3.85Å; L414-V444 HydrophobicContact CD2-CG2 3.99Å; L414-V444 HydrophobicContact CG-CG2 4.28Å; V442-V444 HydrophobicContact CG1-CG2 4.31Å; V444-I459 HydrophobicContact CG1-CD1 3.67Å; V444-I459 HydrophobicContact CG2-CD1 4.35Å |
| 445 | Q | 88.8 | Confident | 75.7 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.6 | 174.2 | -174.6 | 175.7 | 3.9 | 0 | 0 | 110.2 | S384 C385 L412 V413 I447 | S384-Q445 PolarHBondContact OG-NE2 2.92Å; C385-Q445 WeakPolarHBondContact O-CA 3.5Å; L412-Q445 WeakPolarHBondContact CA-O 3.07Å; V413-Q445 PolarHBondContact N-O 3.21Å; V413-Q445 PolarHBondContact O-N 3.07Å; Q445-I447 HydrophobicContact CG-CG1 4.2Å |
| 446 | F | 86.6 | Confident | 75.5 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126 | 175.3 | 176.3 | -117.2 | 0 | 0 | 0 | 109.7 | P371 S384 C385 W387 L406 D410 R411 L412 T448 F457 | P371-F446 HydrophobicContact CG-CD1 4.48Å; S384-F446 CarbonylContact C-O 3.58Å; S384-F446 VanDerWaalsContact CA-O 3.27Å; S384-F446 WeakPolarHBondContact CA-O 3.43Å; C385-F446 PolarHBondContact N-O 2.91Å; C385-F446 PolarHBondContact O-N 3.4Å; W387-F446 HydrophobicContact CH2-CB 4.16Å; W387-F446 HydrophobicContact CZ3-CB 3.77Å; L406-F446 HydrophobicContact CD2-CD2 4.4Å; L406-F446 HydrophobicContact CD2-CE2 3.86Å; D410-F446 HydrophobicContact CB-CE2 4.09Å; D410-F446 HydrophobicContact CB-CZ 4.5Å; R411-F446 CarbonylContact O-C 3.49Å; R411-F446 WeakPolarHBondContact O-CA 3.44Å; L412-F446 HydrophobicContact CD1-CB 4.08Å; L412-F446 HydrophobicContact CD1-CD2 4.34Å; F446-T448 HydrophobicContact CD1-CG2 4.24Å; F446-T448 HydrophobicContact CE1-CG2 3.6Å; F446-T448 HydrophobicContact CZ-CG2 4.16Å; F446-F457 HydrophobicContact CB-CE1 3.67Å; F446-F457 HydrophobicContact CB-CZ 4.12Å; F446-F457 AromaticContact CD1-CE1 3.85Å; F446-F457 HydrophobicContact CD1-CE1 3.85Å; F446-F457 AromaticContact CD2-CD1 3.88Å; F446-F457 HydrophobicContact CD2-CD1 3.88Å; F446-F457 AromaticContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CE1-CE1 4.37Å; F446-F457 HydrophobicContact CE2-CD1 4.13Å; F446-F457 HydrophobicContact CE2-CE1 4.23Å; F446-F457 HydrophobicContact CG-CD1 4.14Å; F446-F457 AromaticContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CE1 3.46Å; F446-F457 VanDerWaalsContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CZ 4.37Å |
| 447 | I | 84.1 | Confident | 75.5 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.3 | 180 | -54.9 | 176.3 | 0 | 0 | 0 | 107.4 | R383 D410 R411 Q445 | R383-I447 VanDerWaalsContact O-CA 3.29Å; R383-I447 WeakPolarHBondContact O-CA 3.35Å; R383-I447 WeakPolarHBondContact O-CG2 3.05Å; D410-I447 CarbonylContact C-O 3.49Å; D410-I447 WeakPolarHBondContact CA-O 3.45Å; R411-I447 HydrophobicContact CB-CB 4.3Å; R411-I447 PolarHBondContact N-O 2.95Å; R411-I447 PolarHBondContact O-N 3.42Å; Q445-I447 HydrophobicContact CG-CG1 4.2Å |
| 448 | T | 78.1 | Confident | 75.4 | Confident | 23 Ų | 23 | 53 Ų | 53 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | trans | -143.5 | 146.7 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | R383 D410 F446 Q450 | R383-T448 WeakPolarHBondContact CA-O 3.02Å; R383-T448 WeakPolarHBondContact CB-O 3.11Å; R383-T448 WeakPolarHBondContact CG-O 3.41Å; R383-T448 PolarHBondContact O-N 2.73Å; D410-T448 VanDerWaalsContact OD1-CA 3.32Å; D410-T448 WeakPolarHBondContact OD1-CA 3.48Å; D410-T448 WeakPolarHBondContact OD1-CB 3.28Å; D410-T448 PolarHBondContact OD1-OG1 3.33Å; F446-T448 HydrophobicContact CD1-CG2 4.24Å; F446-T448 HydrophobicContact CE1-CG2 3.6Å; F446-T448 HydrophobicContact CZ-CG2 4.16Å; T448-Q450 PolarHBondContact OG1-N 2.89Å; T448-Q450 PolarHBondContact OG1-O 2.81Å; T448-Q450 VanDerWaalsContact OG1-O 3.14Å | ||
| 449 | D | 71.4 | Confident | 75.6 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -100.4 | -19.3 | 174 | 73.8 | -35.2 | 0 | 0 | 0 | 113.8 | T409 | T409-D449 VanDerWaalsContact CB-OD1 3.25Å; T409-D449 WeakPolarHBondContact CB-OD1 3.27Å; T409-D449 PolarHBondContact OG1-OD1 2.89Å |
| 450 | Q | 60.6 | Low | 75.8 | Confident | 105 Ų | 105 | 50 Ų | 50 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -142.4 | 124.1 | 180 | -66.9 | 179.8 | 65.8 | 0 | 0 | 112 | T448 N452 | T448-Q450 PolarHBondContact OG1-N 2.89Å; T448-Q450 PolarHBondContact OG1-O 2.81Å; T448-Q450 VanDerWaalsContact OG1-O 3.14Å; Q450-N452 PolarHBondContact O-N 2.79Å |
| 451 | P | 55.2 | Low | 75.8 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | trans | -77.6 | 71.1 | 173.5 | 33.9 | -35.2 | 0 | 0 | 0 | 111 | P373 | P373-P451 HydrophobicContact CB-CB 4.43Å; P373-P451 HydrophobicContact CG-CB 4.33Å | ||
| 452 | N | 53.1 | Low | 75.6 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | trans | -68.4 | 151.2 | 171.1 | -89.3 | -10.7 | 0 | 0 | 0 | 110.9 | Q450 | Q450-N452 PolarHBondContact O-N 2.79Š| ||
| 453 | H | 51.5 | Low | 75.4 | Confident | 157 Ų | 157 | 49.3 Ų | 49.3 | 73% | 0.727 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -82.9 | -14.8 | 178.9 | -76.1 | -90.9 | 0 | 0 | 0 | 113.7 | ||
| 454 | E | 50.8 | Low | 74.8 | Confident | 158 Ų | 158 | 47.4 Ų | 47.4 | 74% | 0.738 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -96 | -28.1 | -177.2 | -61 | 178.8 | 151.6 | 0 | 0 | 112.8 | ||
| 455 | T | 61 | Low | 74 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | trans | -88.5 | 140.5 | 176.2 | 62 | 0 | 0 | 0 | 0 | 110.8 | A405 D410 | A405-T455 CarbonylContact O-C 3.59Å; A405-T455 WeakPolarHBondContact O-CA 3.45Å; A405-T455 VanDerWaalsContact O-CB 3.28Å; A405-T455 WeakPolarHBondContact O-CB 3.37Å; D410-T455 PolarHBondContact OD2-OG1 2.97Å | ||
| 456 | G | 72.8 | Confident | 73 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | 173.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S370 A405 | S370-G456 WeakPolarHBondContact OG-CA 3.48Å; A405-G456 CarbonylContact C-O 3.56Å; A405-G456 PolarHBondContact N-O 3.29Å; A405-G456 PolarHBondContact O-N 3.17Å |
| 457 | F | 79.3 | Confident | 72.3 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.8 | -179.8 | 70.2 | -92.3 | 0 | 0 | 0 | 111 | V368 S370 W387 R403 L404 L412 F446 I459 | V368-F457 HydrophobicContact CG1-CE2 4.16Å; S370-F457 PolarHBondContact N-O 2.79Å; S370-F457 PolarHBondContact OG-N 2.96Å; S370-F457 PolarHBondContact OG-O 2.89Å; W387-F457 HydrophobicContact CH2-CE1 4.35Å; W387-F457 AromaticContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CH2-CZ 3.7Å; W387-F457 HydrophobicContact CZ2-CZ 4.48Å; W387-F457 AromaticContact CZ3-CZ 3.79Å; W387-F457 HydrophobicContact CZ3-CZ 3.79Å; R403-F457 CarbonylContact O-C 3.57Å; R403-F457 WeakPolarHBondContact O-CA 3.46Å; L404-F457 HydrophobicContact CD1-CB 3.77Å; L412-F457 HydrophobicContact CD1-CD1 4.21Å; L412-F457 HydrophobicContact CD1-CD2 4.44Å; L412-F457 HydrophobicContact CD1-CE1 4.16Å; L412-F457 HydrophobicContact CD1-CE2 4.38Å; L412-F457 HydrophobicContact CD1-CG 4.37Å; L412-F457 HydrophobicContact CD1-CZ 4.25Å; L412-F457 HydrophobicContact CD2-CB 4.37Å; L412-F457 HydrophobicContact CD2-CG 4.28Å; F446-F457 HydrophobicContact CB-CE1 3.67Å; F446-F457 HydrophobicContact CB-CZ 4.12Å; F446-F457 AromaticContact CD1-CE1 3.85Å; F446-F457 HydrophobicContact CD1-CE1 3.85Å; F446-F457 AromaticContact CD2-CD1 3.88Å; F446-F457 HydrophobicContact CD2-CD1 3.88Å; F446-F457 AromaticContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CD2-CE1 3.68Å; F446-F457 HydrophobicContact CE1-CE1 4.37Å; F446-F457 HydrophobicContact CE2-CD1 4.13Å; F446-F457 HydrophobicContact CE2-CE1 4.23Å; F446-F457 HydrophobicContact CG-CD1 4.14Å; F446-F457 AromaticContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CE1 3.46Å; F446-F457 VanDerWaalsContact CG-CE1 3.46Å; F446-F457 HydrophobicContact CG-CZ 4.37Å; F457-I459 HydrophobicContact CD2-CD1 3.68Å; F457-I459 HydrophobicContact CD2-CG1 3.9Å; F457-I459 HydrophobicContact CE2-CD1 3.77Å; F457-I459 HydrophobicContact CE2-CG1 4.38Å |
| 458 | N | 82.8 | Confident | 72 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 112 | 175.2 | 174 | 16.9 | 0 | 0 | 0 | 107.7 | R367 L369 L401 E402 R403 | R367-N458 PolarHBondContact NH1-ND2 2.9Å; L369-N458 HydrophobicContact CD2-CB 3.95Å; L369-N458 WeakPolarHBondContact CD2-OD1 3.28Å; L401-N458 CarbonylContact C-O 3.43Å; E402-N458 HydrophobicContact CB-CB 4.35Å; E402-N458 WeakPolarHBondContact CB-ND2 3.15Å; E402-N458 PolarHBondContact N-O 3.46Å; E402-N458 PolarHBondContact OE2-ND2 3.14Å; R403-N458 HydrophobicContact CB-CB 3.98Å; R403-N458 PolarHBondContact N-O 2.93Å; R403-N458 PolarHBondContact O-N 3.01Å |
| 459 | I | 84.8 | Confident | 72.2 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.5 | 177.5 | -58.8 | 155.9 | 0 | 0 | 0 | 107.3 | R367 V368 L399 H400 L401 L412 V444 F457 | R367-I459 CarbonylContact C-O 3.45Å; R367-I459 VanDerWaalsContact CA-O 3.26Å; R367-I459 WeakPolarHBondContact CA-O 3.41Å; V368-I459 HydrophobicContact CB-CB 4.47Å; V368-I459 PolarHBondContact N-O 2.9Å; V368-I459 PolarHBondContact O-N 3.15Å; L399-I459 HydrophobicContact CB-CG2 3.85Å; L399-I459 HydrophobicContact CD2-CG2 3.86Å; L399-I459 HydrophobicContact CG-CG2 4.39Å; H400-I459 WeakPolarHBondContact O-CA 3.3Å; L401-I459 HydrophobicContact CG-CG1 4.2Å; L412-I459 HydrophobicContact CD1-CD1 4.47Å; L412-I459 HydrophobicContact CD2-CD1 4.27Å; V444-I459 HydrophobicContact CG1-CD1 3.67Å; V444-I459 HydrophobicContact CG2-CD1 4.35Å; F457-I459 HydrophobicContact CD2-CD1 3.68Å; F457-I459 HydrophobicContact CD2-CG1 3.9Å; F457-I459 HydrophobicContact CE2-CD1 3.77Å; F457-I459 HydrophobicContact CE2-CG1 4.38Å |
| 460 | R | 85.6 | Confident | 72.5 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 139.4 | 164 | 173.9 | 176.8 | 162.2 | 178.9 | -8.9 | 108.5 | G366 R367 L399 H400 E402 E462 | G366-R460 WeakPolarHBondContact O-CA 3.25Å; R367-R460 HydrophobicContact CG-CB 4.29Å; L399-R460 CarbonylContact C-O 3.55Å; L399-R460 VanDerWaalsContact CA-O 3.31Å; L399-R460 WeakPolarHBondContact CA-O 3.38Å; H400-R460 PolarHBondContact N-O 2.98Å; H400-R460 PolarHBondContact O-N 2.82Å; E402-R460 HydrophobicContact CG-CB 4.22Å; E402-R460 VanDerWaalsContact OE1-CB 3.3Å; E402-R460 WeakPolarHBondContact OE1-CB 3.44Å; E402-R460 VanDerWaalsContact OE1-CD 3.31Å; E402-R460 WeakPolarHBondContact OE1-CD 3.37Å; R460-E462 IonicContact NE-OE2 2.67Å; R460-E462 IonicContact NH2-OE2 2.55Å; R460-E462 PolarHBondContact NH2-OE2 2.89Å |
| 461 | Y | 87.2 | Confident | 73.5 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.4 | 172.1 | 63.8 | -96.8 | 0 | 0 | 0 | 111 | A363 V365 G366 V368 L389 L397 H398 | A363-Y461 HydrophobicContact CB-CD2 4.39Å; A363-Y461 HydrophobicContact CB-CE2 3.81Å; V365-Y461 WeakPolarHBondContact CA-O 3.07Å; G366-Y461 VanDerWaalsContact C-CE1 3.42Å; G366-Y461 VanDerWaalsContact CA-CZ 3.48Å; G366-Y461 PolarHBondContact N-O 2.82Å; G366-Y461 PolarHBondContact O-N 2.93Å; V368-Y461 HydrophobicContact CG2-CD1 4.01Å; V368-Y461 HydrophobicContact CG2-CE1 3.91Å; L389-Y461 HydrophobicContact CD1-CD1 3.67Å; L389-Y461 HydrophobicContact CD1-CD2 4.47Å; L389-Y461 HydrophobicContact CD1-CE1 4.13Å; L389-Y461 HydrophobicContact CD1-CG 3.85Å; L389-Y461 HydrophobicContact CD2-CD1 4.2Å; L389-Y461 HydrophobicContact CD2-CE1 3.78Å; L397-Y461 HydrophobicContact CD2-CD2 4.38Å; H398-Y461 VanDerWaalsContact O-CA 3.3Å; H398-Y461 WeakPolarHBondContact O-CA 3.35Å |
| 462 | E | 85.3 | Confident | 74.8 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 148.4 | 175.8 | 64 | -165.4 | -166.4 | 0 | 0 | 110.4 | T364 V365 L397 H398 R460 | T364-E462 CarbonylContact O-C 3.49Å; T364-E462 VanDerWaalsContact O-CA 3.29Å; T364-E462 WeakPolarHBondContact O-CA 3.35Å; V365-E462 HydrophobicContact CG2-CB 4.38Å; L397-E462 CarbonylContact C-O 3.22Å; L397-E462 WeakPolarHBondContact CA-O 3.11Å; H398-E462 HydrophobicContact CB-CG 3.89Å; H398-E462 IonicContact CE1-OE1 3.98Å; H398-E462 IonicContact CG-OE1 3.87Å; H398-E462 PolarHBondContact N-O 3.45Å; H398-E462 IonicContact ND1-OE1 3.61Å; H398-E462 PolarHBondContact ND1-OE1 2.81Å; H398-E462 PolarHBondContact O-N 2.78Å; R460-E462 IonicContact NE-OE2 2.67Å; R460-E462 IonicContact NH2-OE2 2.55Å; R460-E462 PolarHBondContact NH2-OE2 2.89Å |
| 463 | A | 85.2 | Confident | 75.9 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A363 T364 A391 Q395 R396 L397 | A363-A463 WeakPolarHBondContact O-CB 3.48Å; T364-A463 PolarHBondContact O-N 3.43Å; A391-A463 HydrophobicContact CB-CB 4.24Å; Q395-A463 HydrophobicContact CB-CB 4.35Å; R396-A463 VanDerWaalsContact O-CA 3.28Å; R396-A463 WeakPolarHBondContact O-CA 3.31Å; L397-A463 HydrophobicContact CD2-CB 4.15Å |
| 464 | F | 76.6 | Confident | 77.3 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 10% | 0.101 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159.3 | -176.9 | 72.8 | -83.6 | 0 | 0 | 0 | 111.7 | Q395 R396 H398 I436 | Q395-F464 WeakPolarHBondContact CA-O 3.33Å; Q395-F464 VanDerWaalsContact CB-O 3.25Å; Q395-F464 WeakPolarHBondContact CB-O 3.41Å; R396-F464 HydrophobicContact CB-CD1 4.2Å; R396-F464 HydrophobicContact CB-CE1 3.57Å; R396-F464 HydrophobicContact CB-CE2 4.33Å; R396-F464 HydrophobicContact CB-CZ 3.65Å; R396-F464 PolarHBondContact N-O 3.12Å; R396-F464 WeakPolarHBondContact O-CD1 3.48Å; R396-F464 PolarHBondContact O-N 3.21Å; H398-F464 HydrophobicContact CB-CD1 3.87Å; H398-F464 HydrophobicContact CB-CE1 3.85Å; I436-F464 HydrophobicContact CG2-CE1 4.13Å; I436-F464 HydrophobicContact CG2-CZ 3.77Å |
| 465 | E | 73.5 | Confident | 78.5 | Confident | 114 Ų | 114 | 39.5 Ų | 39.5 | 53% | 0.533 | 19% | 0.194 | S | C | . | . | trans | -95 | 158 | -174.4 | -41.7 | -164.1 | 135.4 | 0 | 0 | 112.3 | Q395 G467 H468 | Q395-E465 HydrophobicContact CG-CG 4.25Å; Q395-E465 PolarHBondContact NE2-OE1 2.78Å; E465-G467 PolarHBondContact O-N 3.25Å; E465-H468 PolarHBondContact N-NE2 3.32Å; E465-H468 VanDerWaalsContact N-NE2 3.18Å; E465-H468 PolarHBondContact O-NE2 2.93Å | ||
| 466 | R | 67.9 | Low | 79.5 | Confident | 148 Ų | 148 | 39.7 Ų | 39.7 | 56% | 0.558 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 110.6 | 175.8 | -67 | -175.4 | -179.1 | 119.3 | -5.2 | 111.1 | D394 | D394-R466 IonicContact OD1-CZ 3.88Å; D394-R466 IonicContact OD1-NH1 2.77Å; D394-R466 PolarHBondContact OD1-NH1 2.94Å |
| 467 | G | 71.3 | Confident | 80 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 50% | 0.495 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 146.4 | -12.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E465 | E465-G467 PolarHBondContact O-N 3.25Š|
| 468 | H | 78.6 | Confident | 80.4 | Confident | 51 Ų | 51 | 45 Ų | 45 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -123 | 164.1 | 173.4 | 46.3 | -109.4 | 0 | 0 | 0 | 110.7 | E465 L485 Y486 | E465-H468 PolarHBondContact N-NE2 3.32Å; E465-H468 VanDerWaalsContact N-NE2 3.18Å; E465-H468 PolarHBondContact O-NE2 2.93Å; H468-L485 VanDerWaalsContact CB-O 3.23Å; H468-L485 WeakPolarHBondContact CB-O 3.35Å; H468-Y486 WeakPolarHBondContact CA-O 3.07Å; H468-Y486 WeakPolarHBondContact CB-O 3.07Å |
| 469 | C | 81.5 | Confident | 80.7 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 160.5 | 163.5 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | Y486 C511 Y518 W519 | C469-Y486 PolarHBondContact N-O 3.16Å; C469-Y486 WeakPolarHBondContact O-CB 3.43Å; C469-C511 HydrophobicContact CB-CB 3.82Å; C469-C511 WeakPolarHBondContact CB-SG 3.42Å; C469-C511 WeakPolarHBondContact SG-CA 3.5Å; C469-C511 WeakPolarHBondContact SG-CB 3.46Å; C469-C511 CovalentContact SG-SG 2.03Å; C469-C511 PolarHBondContact SG-SG 2.73Å; C469-Y518 VanDerWaalsContact SG-CA 3.6Å; C469-Y518 PolarHBondContact SG-N 2.92Å; C469-Y518 VanDerWaalsContact SG-N 3.41Å; C469-W519 HydrophobicContact CB-CD2 4.04Å; C469-W519 VanDerWaalsContact CB-CE2 3.48Å; C469-W519 HydrophobicContact CB-CG 4.37Å; C469-W519 HydrophobicContact CB-CH2 4.46Å; C469-W519 HydrophobicContact CB-CZ2 3.71Å |
| 470 | Y | 78.5 | Confident | 80.9 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -68 | 159.9 | 175.5 | 61.5 | -104.9 | 0 | 0 | 0 | 111.7 | H398 I436 P472 W519 E523 | H398-Y470 AromaticContact CE1-CD2 3.24Å; H398-Y470 WeakPolarHBondContact CE1-CD2 3.34Å; H398-Y470 AromaticContact CE1-CE2 3.39Å; H398-Y470 WeakPolarHBondContact CE1-CE2 3.37Å; H398-Y470 AromaticContact CE1-CG 3.62Å; H398-Y470 AromaticContact CE1-CZ 3.85Å; H398-Y470 AromaticContact CG-CG 3.89Å; H398-Y470 AromaticContact ND1-CD2 3.5Å; H398-Y470 AromaticContact ND1-CG 3.51Å; H398-Y470 AromaticContact NE2-CD2 3.93Å; H398-Y470 AromaticContact NE2-CE1 3.91Å; H398-Y470 AromaticContact NE2-CE2 3.79Å; H398-Y470 AromaticContact NE2-CZ 3.76Å; I436-Y470 HydrophobicContact CD1-CD1 3.85Å; I436-Y470 HydrophobicContact CD1-CE1 3.89Å; I436-Y470 HydrophobicContact CG1-CD1 4.23Å; I436-Y470 HydrophobicContact CG1-CE1 4.3Å; Y470-P472 WeakPolarHBondContact O-CD 3.33Å; Y470-W519 AromaticContact CD2-NE1 3.73Å; Y470-W519 AromaticContact CE1-CD1 3.73Å; Y470-W519 AromaticContact CE2-CD1 3.61Å; Y470-W519 AromaticContact CE2-NE1 3.71Å; Y470-W519 AromaticContact CZ-CD1 3.46Å; Y470-W519 VanDerWaalsContact CZ-CD1 3.46Å; Y470-W519 WeakPolarHBondContact O-CZ2 3.42Å; Y470-W519 PolarHBondContact O-NE1 3.48Å; Y470-E523 PolarHBondContact OH-OE2 3.13Å |
| 471 | E | 81.1 | Confident | 81.2 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 117.9 | 174.9 | 177.5 | 156.8 | -108.7 | 0 | 0 | 109.8 | F479 Y486 | E471-F479 HydrophobicContact CG-CZ 3.99Å; E471-Y486 HydrophobicContact CB-CD2 4.25Å; E471-Y486 HydrophobicContact CB-CE2 3.7Å; E471-Y486 HydrophobicContact CG-CE2 3.8Å; E471-Y486 WeakPolarHBondContact OE1-CE2 3.36Å; E471-Y486 PolarHBondContact OE1-OH 2.95Å |
| 472 | P | 81.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -63 | 146 | -176.9 | -24.5 | 36.8 | 0 | 0 | 0 | 112.2 | Y470 F479 V492 F494 I509 W519 E523 | Y470-P472 WeakPolarHBondContact O-CD 3.33Å; P472-F479 WeakPolarHBondContact O-CE1 3.2Å; P472-F479 WeakPolarHBondContact O-CZ 3.44Å; P472-V492 HydrophobicContact CG-CB 4.45Å; P472-V492 HydrophobicContact CG-CG1 4.22Å; P472-V492 HydrophobicContact CG-CG2 4.19Å; P472-F494 HydrophobicContact CB-CE1 3.98Å; P472-F494 HydrophobicContact CB-CZ 3.86Å; P472-I509 HydrophobicContact CB-CD1 4.36Å; P472-I509 HydrophobicContact CG-CD1 4.06Å; P472-W519 HydrophobicContact CG-CH2 4.27Å; P472-W519 HydrophobicContact CG-CZ2 3.59Å; P472-E523 HydrophobicContact CB-CG 3.87Å |
| 473 | Y | 77.3 | Confident | 81.5 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | trans | -117.4 | 125.8 | 175.4 | 179.7 | -96.7 | 0 | 0 | 0 | 111.5 | H400 E402 Q475 E523 | H400-Y473 AromaticContact CD2-CD1 3.65Å; H400-Y473 AromaticContact CE1-CD1 3.68Å; H400-Y473 AromaticContact NE2-CD1 3.37Å; H400-Y473 WeakPolarHBondContact NE2-CD1 3.42Å; H400-Y473 AromaticContact NE2-CE1 3.98Å; E402-Y473 HydrophobicContact CG-CE1 4.19Å; Y473-Q475 HydrophobicContact CE1-CB 4.03Å; Y473-E523 PolarHBondContact N-OE1 3.43Å | ||
| 474 | L | 80 | Confident | 81.4 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | trans | -114.6 | 121.1 | 172.7 | -176.3 | 61.1 | 0 | 0 | 0 | 109.4 | F494 T495 P524 C526 | L474-F494 HydrophobicContact CB-CD1 4.15Å; L474-F494 HydrophobicContact CB-CE1 4.43Å; L474-F494 HydrophobicContact CD2-CB 4.12Å; L474-F494 HydrophobicContact CD2-CD1 3.92Å; L474-F494 HydrophobicContact CD2-CG 4.47Å; L474-F494 HydrophobicContact CG-CD1 4.47Å; L474-T495 WeakPolarHBondContact CD2-O 3.42Å; L474-P524 WeakPolarHBondContact CD1-O 3.47Å; L474-C526 HydrophobicContact CD1-CB 4.36Å | ||
| 475 | Q | 75.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 63 Ų | 63 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 140.2 | 168.1 | -157.3 | -164.9 | -67 | 0 | 0 | 109.5 | Y473 G477 C526 | Y473-Q475 HydrophobicContact CE1-CB 4.03Å; Q475-G477 VanDerWaalsContact C-N 3.3Å; Q475-G477 PolarHBondContact O-N 2.73Å; Q475-C526 WeakPolarHBondContact O-CB 3.47Å |
| 476 | N | 81.9 | Confident | 82.3 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 43.3 | 179.1 | -67 | 97.8 | 0 | 0 | 0 | 113.6 | D497 H500 C526 | N476-D497 VanDerWaalsContact C-CG 3.49Å; N476-D497 VanDerWaalsContact CA-OD2 3.28Å; N476-D497 WeakPolarHBondContact CA-OD2 3.13Å; N476-D497 PolarHBondContact O-N 2.91Å; N476-H500 HydrophobicContact CB-CB 4.43Å; N476-H500 VanDerWaalsContact CB-CD2 3.48Å; N476-H500 WeakPolarHBondContact CB-CD2 3.24Å; N476-H500 PolarHBondContact ND2-CE1 2.79Å; N476-H500 PolarHBondContact ND2-NE2 3.41Å; N476-C526 HydrophobicContact CB-CB 4.44Å; N476-C526 WeakPolarHBondContact O-CB 3.49Å |
| 477 | G | 84.3 | Confident | 83.2 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -174.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q475 T495 D497 | Q475-G477 VanDerWaalsContact C-N 3.3Å; Q475-G477 PolarHBondContact O-N 2.73Å; G477-T495 CarbonylContact C-O 3.55Å; G477-T495 VanDerWaalsContact CA-O 3.24Å; G477-T495 WeakPolarHBondContact CA-O 3.44Å; G477-D497 PolarHBondContact N-OD2 2.8Å; G477-D497 VanDerWaalsContact N-OD2 3.17Å |
| 478 | N | 87.1 | Confident | 83.9 | Confident | 105 Ų | 105 | 53.7 Ų | 53.7 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 162.6 | 179.1 | -166.8 | 9.2 | 0 | 0 | 0 | 110.2 | T495 | N478-T495 PolarHBondContact N-O 2.77Å; N478-T495 PolarHBondContact O-N 2.95Å; N478-T495 PolarHBondContact O-OG1 3.47Å |
| 479 | F | 89.5 | Confident | 84.2 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 164.8 | 178.5 | 66.8 | -93.7 | 0 | 0 | 0 | 112.4 | E471 P472 Y486 V492 Q493 F494 | E471-F479 HydrophobicContact CG-CZ 3.99Å; P472-F479 WeakPolarHBondContact O-CE1 3.2Å; P472-F479 WeakPolarHBondContact O-CZ 3.44Å; F479-Y486 HydrophobicContact CE2-CE1 4.48Å; F479-Y486 WeakPolarHBondContact CE2-OH 3.47Å; F479-V492 HydrophobicContact CB-CG1 3.86Å; F479-V492 HydrophobicContact CD2-CG1 3.64Å; F479-V492 HydrophobicContact CG-CG1 4.01Å; F479-Q493 CarbonylContact C-O 3.55Å; F479-Q493 VanDerWaalsContact CA-O 3.3Å; F479-Q493 WeakPolarHBondContact CA-O 3.24Å; F479-F494 HydrophobicContact CB-CD1 3.65Å; F479-F494 HydrophobicContact CB-CE1 3.95Å; F479-F494 HydrophobicContact CB-CG 4.48Å; F479-F494 HydrophobicContact CG-CE1 4.43Å |
| 480 | T | 90.1 | Very high | 84.7 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.4 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | V492 Q493 | T480-V492 CarbonylContact O-C 3.6Å; T480-V492 WeakPolarHBondContact O-CA 3.23Å; T480-Q493 PolarHBondContact N-O 3.49Å; T480-Q493 PolarHBondContact O-N 3.37Å; T480-Q493 PolarHBondContact OG1-O 2.92Å |
| 481 | T | 90.8 | Very high | 85.3 | Confident | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.9 | -178.4 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | D483 Y486 T490 | T481-D483 VanDerWaalsContact C-N 3.35Å; T481-D483 PolarHBondContact OG1-N 2.89Å; T481-D483 PolarHBondContact OG1-O 3.25Å; T481-Y486 HydrophobicContact CG2-CE1 4.1Å; T481-T490 WeakPolarHBondContact OG1-CG2 3.36Å |
| 482 | S | 90.4 | Very high | 85.8 | Confident | 81 Ų | 81 | 50.6 Ų | 50.6 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -74.7 | -23.2 | 169.9 | 68 | 0 | 0 | 0 | 0 | 113.6 | V491 | S482-V491 PolarHBondContact N-O 3.04Å; S482-V491 PolarHBondContact OG-N 3.42Å; S482-V491 PolarHBondContact OG-O 3.11Å |
| 483 | D | 87.6 | Confident | 86.3 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | trans | -149.8 | 120.5 | 179.1 | -170.8 | -19 | 0 | 0 | 0 | 110.1 | T481 L485 Y486 T490 | T481-D483 VanDerWaalsContact C-N 3.35Å; T481-D483 PolarHBondContact OG1-N 2.89Å; T481-D483 PolarHBondContact OG1-O 3.25Å; D483-L485 PolarHBondContact O-N 3.34Å; D483-L485 WeakPolarHBondContact OD1-CB 3.46Å; D483-L485 PolarHBondContact OD1-N 3.31Å; D483-Y486 PolarHBondContact O-N 2.96Å; D483-T490 HydrophobicContact CB-CG2 4.16Å; D483-T490 WeakPolarHBondContact O-CG2 3.42Å | ||
| 484 | P | 84.3 | Confident | 86.9 | Confident | 104 Ų | 104 | 53 Ų | 53 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -2.3 | 178.1 | 31.7 | -37.5 | 0 | 0 | 0 | 114.3 | ||
| 485 | L | 83.3 | Confident | 87.4 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 68% | 0.681 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.3 | 171.5 | -70.9 | 159.4 | 0 | 0 | 0 | 113.2 | H468 D483 G487 | H468-L485 VanDerWaalsContact CB-O 3.23Å; H468-L485 WeakPolarHBondContact CB-O 3.35Å; D483-L485 PolarHBondContact O-N 3.34Å; D483-L485 WeakPolarHBondContact OD1-CB 3.46Å; D483-L485 PolarHBondContact OD1-N 3.31Å; L485-G487 PolarHBondContact O-N 3.46Å |
| 486 | Y | 85.6 | Confident | 88.1 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | trans | 48.4 | 32.6 | 177.7 | -54.7 | -63 | 0 | 0 | 0 | 114.6 | H468 C469 E471 F479 T481 D483 T490 V492 C511 W519 | H468-Y486 WeakPolarHBondContact CA-O 3.07Å; H468-Y486 WeakPolarHBondContact CB-O 3.07Å; C469-Y486 PolarHBondContact N-O 3.16Å; C469-Y486 WeakPolarHBondContact O-CB 3.43Å; E471-Y486 HydrophobicContact CB-CD2 4.25Å; E471-Y486 HydrophobicContact CB-CE2 3.7Å; E471-Y486 HydrophobicContact CG-CE2 3.8Å; E471-Y486 WeakPolarHBondContact OE1-CE2 3.36Å; E471-Y486 PolarHBondContact OE1-OH 2.95Å; F479-Y486 HydrophobicContact CE2-CE1 4.48Å; F479-Y486 WeakPolarHBondContact CE2-OH 3.47Å; T481-Y486 HydrophobicContact CG2-CE1 4.1Å; D483-Y486 PolarHBondContact O-N 2.96Å; Y486-T490 HydrophobicContact CD1-CG2 4.25Å; Y486-V492 HydrophobicContact CD1-CG2 4.49Å; Y486-V492 HydrophobicContact CE1-CG2 4.32Å; Y486-C511 PolarHBondContact O-SG 2.72Å; Y486-C511 VanDerWaalsContact O-SG 3.39Å; Y486-W519 HydrophobicContact CD1-CH2 4.1Å; Y486-W519 HydrophobicContact CD1-CZ2 4.02Å; Y486-W519 HydrophobicContact CG-CZ2 4.49Å | ||
| 487 | G | 85.7 | Confident | 88.5 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | trans | -69.4 | 167 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L485 G489 T490 | L485-G487 PolarHBondContact O-N 3.46Å; G487-G489 PolarHBondContact O-N 3.23Å; G487-T490 PolarHBondContact N-OG1 3.43Å; G487-T490 VanDerWaalsContact N-OG1 3.07Å; G487-T490 WeakPolarHBondContact O-CB 3.24Å; G487-T490 PolarHBondContact O-N 3.39Å; G487-T490 PolarHBondContact O-OG1 3.15Å | ||
| 488 | V | 86.3 | Confident | 88.7 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 125.1 | 180 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | C511 S513 P517 | V488-C511 CarbonylContact C-O 3.58Å; V488-C511 WeakPolarHBondContact CA-O 3.04Å; V488-S513 VanDerWaalsContact CG2-O 3.31Å; V488-S513 WeakPolarHBondContact CG2-O 3.44Å; V488-P517 HydrophobicContact CG2-CB 4Å; V488-P517 HydrophobicContact CG2-CG 3.88Å |
| 489 | G | 86.2 | Confident | 88.5 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 2.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G487 C511 | G487-G489 PolarHBondContact O-N 3.23Å; G489-C511 PolarHBondContact N-O 2.96Å |
| 490 | T | 90.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | trans | -69.7 | 136.3 | 170 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | T481 D483 Y486 G487 V492 E510 C511 W519 | T481-T490 WeakPolarHBondContact OG1-CG2 3.36Å; D483-T490 HydrophobicContact CB-CG2 4.16Å; D483-T490 WeakPolarHBondContact O-CG2 3.42Å; Y486-T490 HydrophobicContact CD1-CG2 4.25Å; G487-T490 PolarHBondContact N-OG1 3.43Å; G487-T490 VanDerWaalsContact N-OG1 3.07Å; G487-T490 WeakPolarHBondContact O-CB 3.24Å; G487-T490 PolarHBondContact O-N 3.39Å; G487-T490 PolarHBondContact O-OG1 3.15Å; T490-V492 HydrophobicContact CG2-CG2 4.41Å; T490-E510 CarbonylContact O-C 3.46Å; T490-E510 WeakPolarHBondContact O-CA 3.43Å; T490-C511 PolarHBondContact O-N 2.82Å; T490-W519 HydrophobicContact CG2-CH2 4.2Å | ||
| 491 | V | 92.3 | Very high | 88.3 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.6 | 174.7 | 179 | 0 | 0 | 0 | 0 | 109.2 | S482 V508 I509 E510 | S482-V491 PolarHBondContact N-O 3.04Å; S482-V491 PolarHBondContact OG-N 3.42Å; S482-V491 PolarHBondContact OG-O 3.11Å; V491-V508 HydrophobicContact CG1-CG1 3.36Å; V491-I509 CarbonylContact C-O 3.6Å; V491-I509 WeakPolarHBondContact CA-O 3.48Å; V491-E510 HydrophobicContact CG2-CB 4.35Å; V491-E510 HydrophobicContact CG2-CG 4.1Å |
| 492 | V | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.1 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | P472 F479 T480 Y486 T490 F494 V508 I509 W519 | P472-V492 HydrophobicContact CG-CB 4.45Å; P472-V492 HydrophobicContact CG-CG1 4.22Å; P472-V492 HydrophobicContact CG-CG2 4.19Å; F479-V492 HydrophobicContact CB-CG1 3.86Å; F479-V492 HydrophobicContact CD2-CG1 3.64Å; F479-V492 HydrophobicContact CG-CG1 4.01Å; T480-V492 CarbonylContact O-C 3.6Å; T480-V492 WeakPolarHBondContact O-CA 3.23Å; Y486-V492 HydrophobicContact CD1-CG2 4.49Å; Y486-V492 HydrophobicContact CE1-CG2 4.32Å; T490-V492 HydrophobicContact CG2-CG2 4.41Å; V492-F494 HydrophobicContact CG1-CE1 4.1Å; V492-F494 HydrophobicContact CG1-CE2 4.3Å; V492-F494 HydrophobicContact CG1-CZ 3.94Å; V492-V508 CarbonylContact O-C 3.52Å; V492-V508 VanDerWaalsContact O-CA 3.25Å; V492-V508 WeakPolarHBondContact O-CA 3.39Å; V492-I509 HydrophobicContact CB-CG1 4.04Å; V492-I509 PolarHBondContact N-O 2.84Å; V492-I509 PolarHBondContact O-N 2.82Å; V492-W519 HydrophobicContact CB-CH2 4.38Å; V492-W519 HydrophobicContact CB-CZ3 4.38Å; V492-W519 HydrophobicContact CG2-CH2 3.49Å; V492-W519 VanDerWaalsContact CG2-CH2 3.49Å; V492-W519 HydrophobicContact CG2-CZ2 4.26Å; V492-W519 HydrophobicContact CG2-CZ3 3.91Å |
| 493 | Q | 92.1 | Very high | 87.2 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.7 | 177.7 | 174.4 | 175.5 | -11.4 | 0 | 0 | 110.8 | F479 T480 P507 V508 | F479-Q493 CarbonylContact C-O 3.55Å; F479-Q493 VanDerWaalsContact CA-O 3.3Å; F479-Q493 WeakPolarHBondContact CA-O 3.24Å; T480-Q493 PolarHBondContact N-O 3.49Å; T480-Q493 PolarHBondContact O-N 3.37Å; T480-Q493 PolarHBondContact OG1-O 2.92Å; Q493-P507 WeakPolarHBondContact CA-O 3.47Å; Q493-V508 HydrophobicContact CB-CG2 4.06Å; Q493-V508 HydrophobicContact CG-CG2 4.01Å |
| 494 | F | 90.8 | Very high | 86.5 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 150.5 | -174 | -63.3 | -77.6 | 0 | 0 | 0 | 113.4 | P472 L474 F479 V492 P507 I509 E523 P524 | P472-F494 HydrophobicContact CB-CE1 3.98Å; P472-F494 HydrophobicContact CB-CZ 3.86Å; L474-F494 HydrophobicContact CB-CD1 4.15Å; L474-F494 HydrophobicContact CB-CE1 4.43Å; L474-F494 HydrophobicContact CD2-CB 4.12Å; L474-F494 HydrophobicContact CD2-CD1 3.92Å; L474-F494 HydrophobicContact CD2-CG 4.47Å; L474-F494 HydrophobicContact CG-CD1 4.47Å; F479-F494 HydrophobicContact CB-CD1 3.65Å; F479-F494 HydrophobicContact CB-CE1 3.95Å; F479-F494 HydrophobicContact CB-CG 4.48Å; F479-F494 HydrophobicContact CG-CE1 4.43Å; V492-F494 HydrophobicContact CG1-CE1 4.1Å; V492-F494 HydrophobicContact CG1-CE2 4.3Å; V492-F494 HydrophobicContact CG1-CZ 3.94Å; F494-P507 PolarHBondContact N-O 2.03Å; F494-I509 HydrophobicContact CE2-CB 4.48Å; F494-I509 HydrophobicContact CE2-CD1 3.77Å; F494-I509 HydrophobicContact CE2-CG1 3.74Å; F494-I509 HydrophobicContact CE2-CG2 4.13Å; F494-I509 HydrophobicContact CZ-CD1 3.67Å; F494-I509 HydrophobicContact CZ-CG1 4.08Å; F494-E523 HydrophobicContact CE1-CB 4.4Å; F494-E523 HydrophobicContact CE1-CG 4.25Å; F494-E523 HydrophobicContact CZ-CB 4.05Å; F494-E523 HydrophobicContact CZ-CG 3.81Å; F494-P524 HydrophobicContact CB-CG 3.69Å; F494-P524 HydrophobicContact CD1-CG 4.27Å; F494-P524 HydrophobicContact CD2-CG 3.53Å; F494-P524 HydrophobicContact CE2-CG 4.18Å; F494-P524 HydrophobicContact CG-CG 3.57Å |
| 495 | T | 89.5 | Confident | 86 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 130.5 | 177.5 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | L474 G477 N478 | L474-T495 WeakPolarHBondContact CD2-O 3.42Å; G477-T495 CarbonylContact C-O 3.55Å; G477-T495 VanDerWaalsContact CA-O 3.24Å; G477-T495 WeakPolarHBondContact CA-O 3.44Å; N478-T495 PolarHBondContact N-O 2.77Å; N478-T495 PolarHBondContact O-N 2.95Å; N478-T495 PolarHBondContact O-OG1 3.47Å |
| 496 | C | 90.1 | Very high | 86.1 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 158.5 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | H500 L502 C526 | C496-H500 HydrophobicContact CB-CB 3.87Å; C496-H500 WeakPolarHBondContact CB-O 3.3Å; C496-L502 VanDerWaalsContact SG-CD2 3.51Å; C496-L502 PolarHBondContact SG-N 3.4Å; C496-L502 VanDerWaalsContact SG-N 3.42Å; C496-C526 WeakPolarHBondContact CA-SG 3.48Å; C496-C526 HydrophobicContact CB-CB 3.79Å; C496-C526 WeakPolarHBondContact CB-SG 3.42Å; C496-C526 WeakPolarHBondContact SG-CB 3.21Å; C496-C526 CovalentContact SG-SG 2.03Å; C496-C526 PolarHBondContact SG-SG 3.49Å |
| 497 | D | 90.3 | Very high | 86.1 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 159.9 | 171.6 | -70.9 | -31.5 | 0 | 0 | 0 | 112 | N476 G477 G499 H500 | N476-D497 VanDerWaalsContact C-CG 3.49Å; N476-D497 VanDerWaalsContact CA-OD2 3.28Å; N476-D497 WeakPolarHBondContact CA-OD2 3.13Å; N476-D497 PolarHBondContact O-N 2.91Å; G477-D497 PolarHBondContact N-OD2 2.8Å; G477-D497 VanDerWaalsContact N-OD2 3.17Å; D497-G499 PolarHBondContact O-N 2.8Å; D497-H500 WeakPolarHBondContact O-CB 3.48Å; D497-H500 PolarHBondContact O-N 2.92Å |
| 498 | P | 87.8 | Confident | 86.3 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 118.8 | 178.9 | -24.6 | 35.3 | 0 | 0 | 0 | 113 | V540 | P498-V540 HydrophobicContact CB-CG2 4.08Š|
| 499 | G | 84.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -10.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D497 V540 | D497-G499 PolarHBondContact O-N 2.8Å; G499-V540 VanDerWaalsContact CA-O 3.27Å; G499-V540 WeakPolarHBondContact CA-O 3.19Å |
| 500 | H | 88.4 | Confident | 86.7 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | trans | -102 | 158.3 | 171.5 | -66 | 82.2 | 0 | 0 | 0 | 111.4 | N476 C496 D497 C526 K527 A528 L542 W546 | N476-H500 HydrophobicContact CB-CB 4.43Å; N476-H500 VanDerWaalsContact CB-CD2 3.48Å; N476-H500 WeakPolarHBondContact CB-CD2 3.24Å; N476-H500 PolarHBondContact ND2-CE1 2.79Å; N476-H500 PolarHBondContact ND2-NE2 3.41Å; C496-H500 HydrophobicContact CB-CB 3.87Å; C496-H500 WeakPolarHBondContact CB-O 3.3Å; D497-H500 WeakPolarHBondContact O-CB 3.48Å; D497-H500 PolarHBondContact O-N 2.92Å; H500-C526 HydrophobicContact CB-CB 4.23Å; H500-K527 CarbonylContact C-O 3.5Å; H500-K527 WeakPolarHBondContact CA-O 3.43Å; H500-A528 PolarHBondContact CD2-N 2.95Å; H500-L542 WeakPolarHBondContact CE1-CD1 3.09Å; H500-W546 PolarHBondContact NE2-O 2.98Å | ||
| 501 | S | 85.9 | Confident | 86.6 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 147.7 | -171.4 | 51 | 0 | 0 | 0 | 0 | 111.3 | E503 C526 K527 Q529 | S501-E503 PolarHBondContact O-N 2.91Å; S501-C526 WeakPolarHBondContact O-CA 3.45Å; S501-K527 PolarHBondContact N-O 3.09Å; S501-K527 PolarHBondContact O-N 2.94Å; S501-K527 PolarHBondContact OG-O 2.86Å; S501-Q529 WeakPolarHBondContact OG-CG 3.18Å; S501-Q529 PolarHBondContact OG-NE2 2.7Å |
| 502 | L | 84.7 | Confident | 86.2 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.8 | -177 | -60.9 | 168.9 | 0 | 0 | 0 | 109.7 | C496 P507 P524 | C496-L502 VanDerWaalsContact SG-CD2 3.51Å; C496-L502 PolarHBondContact SG-N 3.4Å; C496-L502 VanDerWaalsContact SG-N 3.42Å; L502-P507 HydrophobicContact CD1-CB 3.98Å; L502-P524 HydrophobicContact CD2-CB 3.81Å; L502-P524 HydrophobicContact CD2-CG 3.81Å |
| 503 | E | 73.5 | Confident | 85.5 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -42 | 179 | -167.9 | -148.8 | 144.8 | 0 | 0 | 112.1 | S501 L525 K527 | S501-E503 PolarHBondContact O-N 2.91Å; E503-L525 PolarHBondContact N-O 2.98Å; E503-K527 IonicContact OE1-NZ 3.12Å; E503-K527 VanDerWaalsContact OE2-CD 3.28Å; E503-K527 WeakPolarHBondContact OE2-CD 3.33Å; E503-K527 VanDerWaalsContact OE2-CE 3.3Å; E503-K527 WeakPolarHBondContact OE2-CE 3.36Å; E503-K527 IonicContact OE2-NZ 2.73Å; E503-K527 PolarHBondContact OE2-NZ 2.88Å |
| 504 | Q | 73.3 | Confident | 84.6 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.1 | -171.6 | -53.4 | -173.9 | 18.6 | 0 | 0 | 109.8 | P524 L525 | Q504-P524 CarbonylContact O-C 3.58Å; Q504-P524 WeakPolarHBondContact O-CA 3.39Å; Q504-P524 WeakPolarHBondContact O-CB 3.43Å; Q504-L525 PolarHBondContact O-N 2.86Å |
| 505 | G | 74.4 | Confident | 83.7 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 79.5 | 165.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 506 | P | 84.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | trans | -77.9 | 150.5 | 176.6 | 33.6 | -36.9 | 0 | 0 | 0 | 112.2 | V508 I509 D521 T522 P524 | P506-V508 PolarHBondContact O-N 2.86Å; P506-I509 HydrophobicContact CG-CG2 3.82Å; P506-D521 HydrophobicContact CG-CB 3.85Å; P506-T522 WeakPolarHBondContact CD-O 3.3Å; P506-P524 WeakPolarHBondContact O-CB 3.43Å; P506-P524 WeakPolarHBondContact O-CG 3.45Å | ||
| 507 | P | 86.9 | Confident | 82.3 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -72.3 | -6.5 | 174.2 | 31.2 | -36.2 | 0 | 0 | 0 | 113.6 | Q493 F494 L502 | Q493-P507 WeakPolarHBondContact CA-O 3.47Å; F494-P507 PolarHBondContact N-O 2.03Å; L502-P507 HydrophobicContact CD1-CB 3.98Å |
| 508 | V | 89.8 | Confident | 81.8 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 133.3 | -176 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | V491 V492 Q493 P506 | V491-V508 HydrophobicContact CG1-CG1 3.36Å; V492-V508 CarbonylContact O-C 3.52Å; V492-V508 VanDerWaalsContact O-CA 3.25Å; V492-V508 WeakPolarHBondContact O-CA 3.39Å; Q493-V508 HydrophobicContact CB-CG2 4.06Å; Q493-V508 HydrophobicContact CG-CG2 4.01Å; P506-V508 PolarHBondContact O-N 2.86Å |
| 509 | I | 89.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 158.9 | 174.2 | 63 | 178.7 | 0 | 0 | 0 | 111.8 | P472 V491 V492 F494 P506 W519 N520 D521 T522 E523 | P472-I509 HydrophobicContact CB-CD1 4.36Å; P472-I509 HydrophobicContact CG-CD1 4.06Å; V491-I509 CarbonylContact C-O 3.6Å; V491-I509 WeakPolarHBondContact CA-O 3.48Å; V492-I509 HydrophobicContact CB-CG1 4.04Å; V492-I509 PolarHBondContact N-O 2.84Å; V492-I509 PolarHBondContact O-N 2.82Å; F494-I509 HydrophobicContact CE2-CB 4.48Å; F494-I509 HydrophobicContact CE2-CD1 3.77Å; F494-I509 HydrophobicContact CE2-CG1 3.74Å; F494-I509 HydrophobicContact CE2-CG2 4.13Å; F494-I509 HydrophobicContact CZ-CD1 3.67Å; F494-I509 HydrophobicContact CZ-CG1 4.08Å; P506-I509 HydrophobicContact CG-CG2 3.82Å; I509-W519 HydrophobicContact CB-CE3 4.16Å; I509-W519 HydrophobicContact CD1-CB 4.17Å; I509-W519 HydrophobicContact CD1-CD2 3.63Å; I509-W519 HydrophobicContact CD1-CE3 3.67Å; I509-W519 HydrophobicContact CD1-CG 3.84Å; I509-W519 HydrophobicContact CD1-CZ3 4.34Å; I509-W519 HydrophobicContact CG1-CD2 4.12Å; I509-W519 HydrophobicContact CG1-CE3 3.59Å; I509-W519 HydrophobicContact CG1-CZ3 4.04Å; I509-N520 WeakPolarHBondContact CA-OD1 3.43Å; I509-D521 HydrophobicContact CG2-CB 4.26Å; I509-T522 WeakPolarHBondContact CG2-O 3.36Å; I509-E523 HydrophobicContact CD1-CG 4.48Å |
| 510 | E | 90 | Very high | 81.7 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.9 | -179.6 | -174.7 | -177.1 | 171.5 | 0 | 0 | 111.3 | T490 V491 I512 N520 | T490-E510 CarbonylContact O-C 3.46Å; T490-E510 WeakPolarHBondContact O-CA 3.43Å; V491-E510 HydrophobicContact CG2-CB 4.35Å; V491-E510 HydrophobicContact CG2-CG 4.1Å; E510-I512 HydrophobicContact CG-CG2 4.2Å; E510-I512 PolarHBondContact O-N 2.85Å; E510-N520 PolarHBondContact N-OD1 2.92Å; E510-N520 WeakPolarHBondContact O-CB 3.04Å; E510-N520 PolarHBondContact O-N 2.89Å; E510-N520 PolarHBondContact O-OD1 2.82Å |
| 511 | C | 88.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.1 | 176.8 | 178 | 0 | 0 | 0 | 0 | 110.1 | C469 Y486 V488 G489 T490 W519 | C469-C511 HydrophobicContact CB-CB 3.82Å; C469-C511 WeakPolarHBondContact CB-SG 3.42Å; C469-C511 WeakPolarHBondContact SG-CA 3.5Å; C469-C511 WeakPolarHBondContact SG-CB 3.46Å; C469-C511 CovalentContact SG-SG 2.03Å; C469-C511 PolarHBondContact SG-SG 2.73Å; Y486-C511 PolarHBondContact O-SG 2.72Å; Y486-C511 VanDerWaalsContact O-SG 3.39Å; V488-C511 CarbonylContact C-O 3.58Å; V488-C511 WeakPolarHBondContact CA-O 3.04Å; G489-C511 PolarHBondContact N-O 2.96Å; T490-C511 PolarHBondContact O-N 2.82Å; C511-W519 HydrophobicContact CB-CD2 4.41Å; C511-W519 HydrophobicContact CB-CE3 3.9Å; C511-W519 HydrophobicContact CB-CH2 3.95Å; C511-W519 HydrophobicContact CB-CZ2 4.47Å; C511-W519 HydrophobicContact CB-CZ3 3.66Å; C511-W519 VanDerWaalsContact N-CE3 3.29Å; C511-W519 VanDerWaalsContact N-CZ3 3.31Å |
| 512 | I | 84.4 | Confident | 81 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 172.1 | -174.6 | 60 | 166.5 | 0 | 0 | 0 | 112.4 | E510 P517 Y518 N520 | E510-I512 HydrophobicContact CG-CG2 4.2Å; E510-I512 PolarHBondContact O-N 2.85Å; I512-P517 WeakPolarHBondContact O-CA 3.35Å; I512-Y518 HydrophobicContact CD1-CD2 4.48Å; I512-Y518 HydrophobicContact CD1-CE1 4.43Å; I512-Y518 HydrophobicContact CD1-CE2 3.69Å; I512-Y518 HydrophobicContact CG1-CD2 4.28Å; I512-Y518 HydrophobicContact CG1-CE1 4.26Å; I512-Y518 HydrophobicContact CG1-CE2 3.92Å; I512-Y518 VanDerWaalsContact CG1-O 3.27Å; I512-Y518 WeakPolarHBondContact CG1-O 3.36Å; I512-Y518 PolarHBondContact N-O 2.96Å; I512-Y518 PolarHBondContact O-N 3.21Å; I512-N520 HydrophobicContact CD1-CB 3.74Å; I512-N520 HydrophobicContact CG1-CB 4.01Å; I512-N520 HydrophobicContact CG2-CB 4.06Å |
| 513 | S | 76.7 | Confident | 80.8 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | trans | 68.3 | 115.3 | -177.8 | 171 | 0 | 0 | 0 | 0 | 116.4 | V488 R515 D516 P517 | V488-S513 VanDerWaalsContact CG2-O 3.31Å; V488-S513 WeakPolarHBondContact CG2-O 3.44Å; S513-R515 VanDerWaalsContact C-N 3.33Å; S513-R515 PolarHBondContact O-N 3.35Å; S513-D516 WeakPolarHBondContact CB-O 3.39Å; S513-D516 PolarHBondContact OG-N 2.54Å; S513-D516 PolarHBondContact OG-O 3.16Å; S513-P517 WeakPolarHBondContact O-CA 3.25Å | ||
| 514 | A | 73.1 | Confident | 81.4 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -87.4 | 13.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 515 | R | 72.4 | Confident | 81.8 | Confident | 245 Ų | 245 | 59.1 Ų | 59.1 | 93% | 0.925 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -118.8 | -38.6 | 178.8 | -78.2 | -178.5 | 173.5 | -100.5 | 0 | 113.2 | S513 | S513-R515 VanDerWaalsContact C-N 3.33Å; S513-R515 PolarHBondContact O-N 3.35Å |
| 516 | D | 72.8 | Confident | 82.4 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -147.9 | 99.6 | 173.4 | -152.6 | 13.6 | 0 | 0 | 0 | 103.8 | R396 S513 Y518 | R396-D516 IonicContact CZ-OD1 2.88Å; R396-D516 IonicContact NH1-OD1 3.7Å; R396-D516 PolarHBondContact NH1-OD1 2.7Å; R396-D516 IonicContact NH1-OD2 2.78Å; R396-D516 IonicContact NH2-OD1 2.87Å; R396-D516 IonicContact NH2-OD2 2.73Å; R396-D516 PolarHBondContact NH2-OD2 3.13Å; S513-D516 WeakPolarHBondContact CB-O 3.39Å; S513-D516 PolarHBondContact OG-N 2.54Å; S513-D516 PolarHBondContact OG-O 3.16Å; D516-Y518 WeakPolarHBondContact O-CD1 3.42Å |
| 517 | P | 77.9 | Confident | 82.4 | Confident | 23 Ų | 23 | 59 Ų | 59 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -71.1 | 139.9 | -172.6 | -23 | 35.5 | 0 | 0 | 0 | 113.1 | V488 I512 S513 | V488-P517 HydrophobicContact CG2-CB 4Å; V488-P517 HydrophobicContact CG2-CG 3.88Å; I512-P517 WeakPolarHBondContact O-CA 3.35Å; S513-P517 WeakPolarHBondContact O-CA 3.25Å | ||
| 518 | Y | 78.8 | Confident | 82.4 | Confident | 120 Ų | 120 | 55.7 Ų | 55.7 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155 | 175.4 | 66.6 | -80.7 | 0 | 0 | 0 | 110.9 | C469 I512 D516 | C469-Y518 VanDerWaalsContact SG-CA 3.6Å; C469-Y518 PolarHBondContact SG-N 2.92Å; C469-Y518 VanDerWaalsContact SG-N 3.41Å; I512-Y518 HydrophobicContact CD1-CD2 4.48Å; I512-Y518 HydrophobicContact CD1-CE1 4.43Å; I512-Y518 HydrophobicContact CD1-CE2 3.69Å; I512-Y518 HydrophobicContact CG1-CD2 4.28Å; I512-Y518 HydrophobicContact CG1-CE1 4.26Å; I512-Y518 HydrophobicContact CG1-CE2 3.92Å; I512-Y518 VanDerWaalsContact CG1-O 3.27Å; I512-Y518 WeakPolarHBondContact CG1-O 3.36Å; I512-Y518 PolarHBondContact N-O 2.96Å; I512-Y518 PolarHBondContact O-N 3.21Å; D516-Y518 WeakPolarHBondContact O-CD1 3.42Å |
| 519 | W | 84 | Confident | 82.2 | Confident | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 141.2 | 175.1 | -64.1 | 109 | 0 | 0 | 0 | 111 | C469 Y470 P472 Y486 T490 V492 I509 C511 D521 | C469-W519 HydrophobicContact CB-CD2 4.04Å; C469-W519 VanDerWaalsContact CB-CE2 3.48Å; C469-W519 HydrophobicContact CB-CG 4.37Å; C469-W519 HydrophobicContact CB-CH2 4.46Å; C469-W519 HydrophobicContact CB-CZ2 3.71Å; Y470-W519 AromaticContact CD2-NE1 3.73Å; Y470-W519 AromaticContact CE1-CD1 3.73Å; Y470-W519 AromaticContact CE2-CD1 3.61Å; Y470-W519 AromaticContact CE2-NE1 3.71Å; Y470-W519 AromaticContact CZ-CD1 3.46Å; Y470-W519 VanDerWaalsContact CZ-CD1 3.46Å; Y470-W519 WeakPolarHBondContact O-CZ2 3.42Å; Y470-W519 PolarHBondContact O-NE1 3.48Å; P472-W519 HydrophobicContact CG-CH2 4.27Å; P472-W519 HydrophobicContact CG-CZ2 3.59Å; Y486-W519 HydrophobicContact CD1-CH2 4.1Å; Y486-W519 HydrophobicContact CD1-CZ2 4.02Å; Y486-W519 HydrophobicContact CG-CZ2 4.49Å; T490-W519 HydrophobicContact CG2-CH2 4.2Å; V492-W519 HydrophobicContact CB-CH2 4.38Å; V492-W519 HydrophobicContact CB-CZ3 4.38Å; V492-W519 HydrophobicContact CG2-CH2 3.49Å; V492-W519 VanDerWaalsContact CG2-CH2 3.49Å; V492-W519 HydrophobicContact CG2-CZ2 4.26Å; V492-W519 HydrophobicContact CG2-CZ3 3.91Å; I509-W519 HydrophobicContact CB-CE3 4.16Å; I509-W519 HydrophobicContact CD1-CB 4.17Å; I509-W519 HydrophobicContact CD1-CD2 3.63Å; I509-W519 HydrophobicContact CD1-CE3 3.67Å; I509-W519 HydrophobicContact CD1-CG 3.84Å; I509-W519 HydrophobicContact CD1-CZ3 4.34Å; I509-W519 HydrophobicContact CG1-CD2 4.12Å; I509-W519 HydrophobicContact CG1-CE3 3.59Å; I509-W519 HydrophobicContact CG1-CZ3 4.04Å; C511-W519 HydrophobicContact CB-CD2 4.41Å; C511-W519 HydrophobicContact CB-CE3 3.9Å; C511-W519 HydrophobicContact CB-CH2 3.95Å; C511-W519 HydrophobicContact CB-CZ2 4.47Å; C511-W519 HydrophobicContact CB-CZ3 3.66Å; C511-W519 VanDerWaalsContact N-CE3 3.29Å; C511-W519 VanDerWaalsContact N-CZ3 3.31Å; W519-D521 PolarHBondContact O-N 3.07Å |
| 520 | N | 86.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -68.2 | -20.2 | -175 | 66.9 | -22.6 | 0 | 0 | 0 | 115 | I509 E510 I512 | I509-N520 WeakPolarHBondContact CA-OD1 3.43Å; E510-N520 PolarHBondContact N-OD1 2.92Å; E510-N520 WeakPolarHBondContact O-CB 3.04Å; E510-N520 PolarHBondContact O-N 2.89Å; E510-N520 PolarHBondContact O-OD1 2.82Å; I512-N520 HydrophobicContact CD1-CB 3.74Å; I512-N520 HydrophobicContact CG1-CB 4.01Å; I512-N520 HydrophobicContact CG2-CB 4.06Å |
| 521 | D | 82.1 | Confident | 82.1 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -157.7 | 170.6 | -175.9 | -152.8 | -25.4 | 0 | 0 | 0 | 107.7 | P506 I509 W519 | P506-D521 HydrophobicContact CG-CB 3.85Å; I509-D521 HydrophobicContact CG2-CB 4.26Å; W519-D521 PolarHBondContact O-N 3.07Å |
| 522 | T | 77.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 160.2 | -173.4 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | E433 P506 I509 | E433-T522 HydrophobicContact CG-CG2 3.81Å; P506-T522 WeakPolarHBondContact CD-O 3.3Å; I509-T522 WeakPolarHBondContact CG2-O 3.36Å |
| 523 | E | 80.6 | Confident | 82.5 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 146.1 | 165.1 | -56.2 | 103.3 | 126.1 | 0 | 0 | 111.1 | Y470 P472 Y473 F494 I509 | Y470-E523 PolarHBondContact OH-OE2 3.13Å; P472-E523 HydrophobicContact CB-CG 3.87Å; Y473-E523 PolarHBondContact N-OE1 3.43Å; F494-E523 HydrophobicContact CE1-CB 4.4Å; F494-E523 HydrophobicContact CE1-CG 4.25Å; F494-E523 HydrophobicContact CZ-CB 4.05Å; F494-E523 HydrophobicContact CZ-CG 3.81Å; I509-E523 HydrophobicContact CD1-CG 4.48Å |
| 524 | P | 85.4 | Confident | 83.2 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 162.1 | 176.4 | 34.7 | -36.4 | 0 | 0 | 0 | 112.5 | L474 F494 L502 Q504 P506 | L474-P524 WeakPolarHBondContact CD1-O 3.47Å; F494-P524 HydrophobicContact CB-CG 3.69Å; F494-P524 HydrophobicContact CD1-CG 4.27Å; F494-P524 HydrophobicContact CD2-CG 3.53Å; F494-P524 HydrophobicContact CE2-CG 4.18Å; F494-P524 HydrophobicContact CG-CG 3.57Å; L502-P524 HydrophobicContact CD2-CB 3.81Å; L502-P524 HydrophobicContact CD2-CG 3.81Å; Q504-P524 CarbonylContact O-C 3.58Å; Q504-P524 WeakPolarHBondContact O-CA 3.39Å; Q504-P524 WeakPolarHBondContact O-CB 3.43Å; P506-P524 WeakPolarHBondContact O-CB 3.43Å; P506-P524 WeakPolarHBondContact O-CG 3.45Å |
| 525 | L | 81.6 | Confident | 83.9 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119 | -178.8 | -171.9 | 58.8 | 0 | 0 | 0 | 111.6 | E503 Q504 K527 | E503-L525 PolarHBondContact N-O 2.98Å; Q504-L525 PolarHBondContact O-N 2.86Å; L525-K527 HydrophobicContact CG-CG 4.33Å |
| 526 | C | 86.5 | Confident | 84.5 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.1 | 173.5 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | L474 Q475 N476 C496 H500 S501 | L474-C526 HydrophobicContact CD1-CB 4.36Å; Q475-C526 WeakPolarHBondContact O-CB 3.47Å; N476-C526 HydrophobicContact CB-CB 4.44Å; N476-C526 WeakPolarHBondContact O-CB 3.49Å; C496-C526 WeakPolarHBondContact CA-SG 3.48Å; C496-C526 HydrophobicContact CB-CB 3.79Å; C496-C526 WeakPolarHBondContact CB-SG 3.42Å; C496-C526 WeakPolarHBondContact SG-CB 3.21Å; C496-C526 CovalentContact SG-SG 2.03Å; C496-C526 PolarHBondContact SG-SG 3.49Å; H500-C526 HydrophobicContact CB-CB 4.23Å; S501-C526 WeakPolarHBondContact O-CA 3.45Å |
| 527 | K | 84.8 | Confident | 85.2 | Confident | 65 Ų | 65 | 51 Ų | 51 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.6 | 173.3 | -71.2 | -166.7 | -167.5 | 139.8 | 0 | 112.8 | H500 S501 E503 L525 Q529 | H500-K527 CarbonylContact C-O 3.5Å; H500-K527 WeakPolarHBondContact CA-O 3.43Å; S501-K527 PolarHBondContact N-O 3.09Å; S501-K527 PolarHBondContact O-N 2.94Å; S501-K527 PolarHBondContact OG-O 2.86Å; E503-K527 IonicContact OE1-NZ 3.12Å; E503-K527 VanDerWaalsContact OE2-CD 3.28Å; E503-K527 WeakPolarHBondContact OE2-CD 3.33Å; E503-K527 VanDerWaalsContact OE2-CE 3.3Å; E503-K527 WeakPolarHBondContact OE2-CE 3.36Å; E503-K527 IonicContact OE2-NZ 2.73Å; E503-K527 PolarHBondContact OE2-NZ 2.88Å; L525-K527 HydrophobicContact CG-CG 4.33Å; K527-Q529 PolarHBondContact O-N 2.74Å |
| 528 | A | 88.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | trans | -69.7 | 109.2 | 163 | 0 | 0 | 0 | 0 | 0 | 109.3 | H500 L542 S543 N545 W546 | H500-A528 PolarHBondContact CD2-N 2.95Å; A528-L542 HydrophobicContact CB-CB 3.87Å; A528-L542 HydrophobicContact CB-CD1 4.25Å; A528-S543 WeakPolarHBondContact CB-O 3.2Å; A528-N545 PolarHBondContact O-N 2.76Å; A528-W546 HydrophobicContact CB-CB 4.14Å | ||
| 529 | Q | 84.6 | Confident | 86.4 | Confident | 88 Ų | 88 | 46.8 Ų | 46.8 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | trans | -80.2 | 141.6 | -177.4 | -84.3 | 175.7 | 15.3 | 0 | 0 | 112.5 | S501 K527 G531 W558 | S501-Q529 WeakPolarHBondContact OG-CG 3.18Å; S501-Q529 PolarHBondContact OG-NE2 2.7Å; K527-Q529 PolarHBondContact O-N 2.74Å; Q529-G531 PolarHBondContact O-N 2.68Å; Q529-G531 VanDerWaalsContact O-N 3.15Å; Q529-W558 WeakPolarHBondContact O-CZ2 3.48Å; Q529-W558 PolarHBondContact O-NE1 2.64Å; Q529-W558 VanDerWaalsContact O-NE1 3.14Å | ||
| 530 | C | 88.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 48 Ų | 48 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -72.5 | 99.5 | 172.7 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | P544 C556 | C530-P544 HydrophobicContact CB-CB 4.47Å; C530-P544 HydrophobicContact CB-CG 4.21Å; C530-C556 VanDerWaalsContact CA-SG 3.56Å; C530-C556 HydrophobicContact CB-CB 4.07Å; C530-C556 WeakPolarHBondContact CB-SG 3.45Å; C530-C556 WeakPolarHBondContact SG-CA 3.44Å; C530-C556 WeakPolarHBondContact SG-CB 3.49Å; C530-C556 CovalentContact SG-SG 2.03Å; C530-C556 PolarHBondContact SG-SG 3.38Å |
| 531 | G | 88.6 | Confident | 87.3 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 81.4 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q529 S557 | Q529-G531 PolarHBondContact O-N 2.68Å; Q529-G531 VanDerWaalsContact O-N 3.15Å; G531-S557 CarbonylContact C-O 3.5Å; G531-S557 WeakPolarHBondContact CA-O 3.25Å |
| 532 | G | 90 | Very high | 87.8 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.8 | 169.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S557 W558 R559 | G532-S557 PolarHBondContact N-O 2.94Å; G532-W558 CarbonylContact O-C 3.51Å; G532-W558 WeakPolarHBondContact O-CA 3.39Å; G532-R559 PolarHBondContact O-N 2.82Å |
| 533 | D | 91.4 | Very high | 88.4 | Confident | 107 Ų | 107 | 39.6 Ų | 39.6 | 57% | 0.572 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.8 | 175.3 | -67.8 | -68.8 | 0 | 0 | 0 | 110.3 | R559 | D533-R559 IonicContact OD1-CZ 3.2Å; D533-R559 IonicContact OD1-NE 3.38Å; D533-R559 PolarHBondContact OD1-NE 3.38Å; D533-R559 IonicContact OD1-NH2 2.84Å; D533-R559 PolarHBondContact OD1-NH2 2.83Å; D533-R559 IonicContact OD2-CZ 2.68Å; D533-R559 IonicContact OD2-NH2 3.12Å; D533-R559 PolarHBondContact OD2-NH2 3.4Å |
| 534 | L | 90.8 | Very high | 88.8 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 102.4 | -170.4 | -63.8 | 174.6 | 0 | 0 | 0 | 110 | I541 W558 R559 I560 H561 Y638 | L534-I541 HydrophobicContact CD1-CD1 3.69Å; L534-I541 HydrophobicContact CD1-CG1 3.64Å; L534-W558 HydrophobicContact CD1-CB 4.04Å; L534-W558 HydrophobicContact CD1-CG 4.45Å; L534-R559 PolarHBondContact N-O 2.91Å; L534-I560 HydrophobicContact CB-CG1 4.41Å; L534-I560 HydrophobicContact CD1-CG1 4.21Å; L534-I560 WeakPolarHBondContact O-CA 3.23Å; L534-H561 PolarHBondContact O-N 2.98Å; L534-Y638 HydrophobicContact CB-CE1 4.37Å; L534-Y638 HydrophobicContact CD1-CE1 3.99Å |
| 535 | T | 87.9 | Confident | 88.6 | Confident | 115 Ų | 115 | 41.3 Ų | 41.3 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 87.7 | -174.8 | 40.8 | 0 | 0 | 0 | 0 | 110.7 | H561 | T535-H561 HydrophobicContact CG2-CB 4.22Å |
| 536 | G | 85.8 | Confident | 88.7 | Confident | 19 Ų | 19 | 41 Ų | 41 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -169.9 | 166.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G538 | G536-G538 PolarHBondContact O-N 2.63Š|
| 537 | P | 87.6 | Confident | 88.2 | Confident | 94 Ų | 94 | 44.3 Ų | 44.3 | 61% | 0.61 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -71.8 | -5 | -179.8 | 31.8 | -36.9 | 0 | 0 | 0 | 113.4 | E640 | P537-E640 HydrophobicContact CB-CG 3.82Å; P537-E640 WeakPolarHBondContact O-CG 3.23Å; P537-E640 PolarHBondContact O-N 3.01Å |
| 538 | G | 91 | Very high | 87.8 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.8 | 167.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G536 Y638 | G536-G538 PolarHBondContact O-N 2.63Å; G538-Y638 CarbonylContact C-O 3.52Å; G538-Y638 WeakPolarHBondContact CA-O 3.16Å |
| 539 | G | 91.4 | Very high | 87.1 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -179.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N637 Y638 | G539-N637 PolarHBondContact O-OD1 2.6Å; G539-N637 VanDerWaalsContact O-OD1 3.13Å; G539-Y638 VanDerWaalsContact C-CD1 3.49Å; G539-Y638 VanDerWaalsContact C-CE1 3.46Å; G539-Y638 VanDerWaalsContact CA-CE1 3.44Å; G539-Y638 PolarHBondContact N-O 2.86Å; G539-Y638 WeakPolarHBondContact O-CD1 3.43Å; G539-Y638 PolarHBondContact O-N 3.29Å |
| 540 | V | 93.5 | Very high | 87.1 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.6 | -178.1 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | P498 G499 L542 I635 | P498-V540 HydrophobicContact CB-CG2 4.08Å; G499-V540 VanDerWaalsContact CA-O 3.27Å; G499-V540 WeakPolarHBondContact CA-O 3.19Å; V540-L542 HydrophobicContact CG1-CD2 3.69Å; V540-L542 HydrophobicContact CG1-CG 4.03Å; V540-I635 HydrophobicContact CG1-CG2 4.08Å |
| 541 | I | 94.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.2 | 167.2 | -55.2 | 174.2 | 0 | 0 | 0 | 107.1 | L534 W558 I560 V617 F634 I636 Y638 | L534-I541 HydrophobicContact CD1-CD1 3.69Å; L534-I541 HydrophobicContact CD1-CG1 3.64Å; I541-W558 HydrophobicContact CD1-CB 3.97Å; I541-W558 HydrophobicContact CD1-CG 4.31Å; I541-W558 HydrophobicContact CG2-CD2 3.58Å; I541-W558 HydrophobicContact CG2-CE3 3.98Å; I541-W558 HydrophobicContact CG2-CG 3.86Å; I541-W558 HydrophobicContact CG2-CZ2 4.18Å; I541-W558 HydrophobicContact CG2-CZ3 4.44Å; I541-I560 HydrophobicContact CD1-CD1 3.82Å; I541-I560 HydrophobicContact CD1-CG1 4.16Å; I541-V617 HydrophobicContact CD1-CG2 4.13Å; I541-F634 HydrophobicContact CG2-CE2 4.28Å; I541-I636 HydrophobicContact CB-CB 4.32Å; I541-I636 PolarHBondContact N-O 3.43Å; I541-I636 PolarHBondContact O-N 3.45Å; I541-Y638 HydrophobicContact CD1-CD1 4.39Å; I541-Y638 HydrophobicContact CG1-CD1 4.23Å |
| 542 | L | 92.5 | Very high | 86.1 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.2 | -178.4 | -59.5 | 171.6 | 0 | 0 | 0 | 109 | H500 A528 V540 W546 F634 I635 | H500-L542 WeakPolarHBondContact CE1-CD1 3.09Å; A528-L542 HydrophobicContact CB-CB 3.87Å; A528-L542 HydrophobicContact CB-CD1 4.25Å; V540-L542 HydrophobicContact CG1-CD2 3.69Å; V540-L542 HydrophobicContact CG1-CG 4.03Å; L542-W546 HydrophobicContact CB-CB 3.91Å; L542-W546 HydrophobicContact CB-CG 4.16Å; L542-W546 HydrophobicContact CD1-CB 4.45Å; L542-W546 HydrophobicContact CD1-CG 4.29Å; L542-W546 HydrophobicContact CD2-CG 4.25Å; L542-W546 HydrophobicContact CG-CG 4.47Å; L542-F634 WeakPolarHBondContact CA-O 3.15Å; L542-I635 HydrophobicContact CD2-CB 4.35Å; L542-I635 HydrophobicContact CD2-CG1 4.04Å; L542-I635 HydrophobicContact CD2-CG2 4.04Å |
| 543 | S | 91.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | trans | -62.7 | 151.3 | 168.6 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | A528 N545 W546 G633 F634 | A528-S543 WeakPolarHBondContact CB-O 3.2Å; S543-N545 PolarHBondContact O-N 2.91Å; S543-W546 VanDerWaalsContact O-CB 3.24Å; S543-W546 WeakPolarHBondContact O-CB 3.44Å; S543-W546 PolarHBondContact O-N 3.33Å; S543-W546 VanDerWaalsContact O-N 3.12Å; S543-G633 WeakPolarHBondContact OG-CA 3.36Å; S543-F634 PolarHBondContact N-O 3.43Å; S543-F634 VanDerWaalsContact N-O 3.13Å; S543-F634 PolarHBondContact OG-N 3.38Å | ||
| 544 | P | 88.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 138.2 | 179.5 | -27.2 | 35.6 | 0 | 0 | 0 | 112.3 | C530 W546 Y550 C556 F619 | C530-P544 HydrophobicContact CB-CB 4.47Å; C530-P544 HydrophobicContact CB-CG 4.21Å; P544-W546 PolarHBondContact O-N 3.32Å; P544-Y550 WeakPolarHBondContact O-CA 3.43Å; P544-C556 WeakPolarHBondContact CG-SG 3.38Å; P544-F619 HydrophobicContact CG-CD1 4.48Å |
| 545 | N | 81.3 | Confident | 85.3 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 4.3 | -177.6 | -50.9 | -59.1 | 0 | 0 | 0 | 117.2 | A528 S543 E548 | A528-N545 PolarHBondContact O-N 2.76Å; S543-N545 PolarHBondContact O-N 2.91Å; N545-E548 CarbonylContact C-O 3.48Å; N545-E548 HydrophobicContact CB-CB 4.47Å; N545-E548 WeakPolarHBondContact O-CB 3.23Å; N545-E548 PolarHBondContact O-N 2.95Å |
| 546 | W | 83.9 | Confident | 85.6 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 21% | 0.212 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 131.7 | 177.7 | 179.2 | -79.9 | 0 | 0 | 0 | 112.3 | H500 A528 L542 S543 P544 L574 E632 I635 | H500-W546 PolarHBondContact NE2-O 2.98Å; A528-W546 HydrophobicContact CB-CB 4.14Å; L542-W546 HydrophobicContact CB-CB 3.91Å; L542-W546 HydrophobicContact CB-CG 4.16Å; L542-W546 HydrophobicContact CD1-CB 4.45Å; L542-W546 HydrophobicContact CD1-CG 4.29Å; L542-W546 HydrophobicContact CD2-CG 4.25Å; L542-W546 HydrophobicContact CG-CG 4.47Å; S543-W546 VanDerWaalsContact O-CB 3.24Å; S543-W546 WeakPolarHBondContact O-CB 3.44Å; S543-W546 PolarHBondContact O-N 3.33Å; S543-W546 VanDerWaalsContact O-N 3.12Å; P544-W546 PolarHBondContact O-N 3.32Å; W546-L574 HydrophobicContact CH2-CD2 3.51Å; W546-L574 HydrophobicContact CZ3-CD2 3.76Å; W546-E632 VanDerWaalsContact CZ3-O 3.23Å; W546-E632 WeakPolarHBondContact CZ3-O 3.14Å; W546-I635 HydrophobicContact CH2-CD1 3.83Å; W546-I635 HydrophobicContact CH2-CG1 4Å; W546-I635 HydrophobicContact CZ2-CD1 3.58Å; W546-I635 HydrophobicContact CZ2-CG1 3.95Å; W546-I635 HydrophobicContact CZ3-CG1 4.31Å |
| 547 | P | 76.3 | Confident | 86 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.8 | 6.2 | 14 | 36.8 | -38.4 | 0 | 0 | 0 | 115.8 | ||
| 548 | E | 75.3 | Confident | 86.3 | Confident | 78 Ų | 78 | 43.3 Ų | 43.3 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -80.3 | 160.5 | 169.3 | -62.6 | -70 | 164.7 | 0 | 0 | 110.6 | R403 N545 | R403-E548 IonicContact CZ-OE1 2.75Å; R403-E548 IonicContact CZ-OE2 2.7Å; R403-E548 IonicContact NH1-OE1 3.63Å; R403-E548 PolarHBondContact NH1-OE1 2.85Å; R403-E548 IonicContact NH1-OE2 3.77Å; R403-E548 PolarHBondContact NH1-OE2 3.33Å; R403-E548 IonicContact NH2-OE2 2.68Å; N545-E548 CarbonylContact C-O 3.48Å; N545-E548 HydrophobicContact CB-CB 4.47Å; N545-E548 WeakPolarHBondContact O-CB 3.23Å; N545-E548 PolarHBondContact O-N 2.95Å |
| 549 | W | 74.3 | Confident | 86.4 | Confident | 136 Ų | 136 | 47.3 Ų | 47.3 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 144.9 | -179.9 | -48.8 | 86.6 | 0 | 0 | 0 | 112 | K630 G631 E632 | W549-K630 HydrophobicContact CB-CD 4.13Å; W549-K630 HydrophobicContact CD2-CB 4.45Å; W549-K630 HydrophobicContact CE3-CB 3.79Å; W549-K630 HydrophobicContact CZ3-CB 4.45Å; W549-K630 VanDerWaalsContact CZ3-O 3.24Å; W549-K630 WeakPolarHBondContact CZ3-O 3.4Å; W549-G631 VanDerWaalsContact CE3-O 3.22Å; W549-G631 WeakPolarHBondContact CZ3-O 3.41Å; W549-E632 HydrophobicContact CH2-CG 4.19Å; W549-E632 HydrophobicContact CZ3-CB 4.48Å; W549-E632 HydrophobicContact CZ3-CG 4.2Å |
| 550 | Y | 84.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -70 | 158.9 | 177.9 | 54.2 | -93.7 | 0 | 0 | 0 | 112.7 | P544 I577 S578 D581 F619 K630 G631 | P544-Y550 WeakPolarHBondContact O-CA 3.43Å; Y550-I577 HydrophobicContact CE1-CG2 4.33Å; Y550-S578 PolarHBondContact OH-N 3.45Å; Y550-D581 WeakPolarHBondContact CE2-OD2 3.36Å; Y550-D581 VanDerWaalsContact CZ-OD2 3.24Å; Y550-D581 PolarHBondContact OH-OD2 3.46Å; Y550-F619 HydrophobicContact CD1-CZ 4.49Å; Y550-F619 AromaticContact CD2-CE1 3.97Å; Y550-F619 HydrophobicContact CD2-CE1 3.97Å; Y550-F619 AromaticContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CE1-CZ 4.48Å; Y550-F619 HydrophobicContact CE2-CE1 4.42Å; Y550-F619 AromaticContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CG-CE1 4.19Å; Y550-F619 HydrophobicContact CG-CZ 4.15Å; Y550-K630 PolarHBondContact O-NZ 3.36Å; Y550-G631 VanDerWaalsContact CE1-O 3.23Å; Y550-G631 WeakPolarHBondContact CE1-O 3.31Å; Y550-G631 PolarHBondContact OH-N 3.47Å; Y550-G631 VanDerWaalsContact OH-N 3.16Å |
| 551 | G | 75.9 | Confident | 86.4 | Confident | 17 Ų | 17 | 48 Ų | 48 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | E554 S621 | G551-E554 WeakPolarHBondContact O-CG 3.35Å; G551-S621 PolarHBondContact O-OG 3.45Å |
| 552 | E | 79.4 | Confident | 86.3 | Confident | 116 Ų | 116 | 48.1 Ų | 48.1 | 54% | 0.542 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 132.8 | 171 | -74.7 | 145.3 | -118.5 | 0 | 0 | 109.8 | E554 K630 | E552-E554 VanDerWaalsContact C-N 3.35Å; E552-K630 WeakPolarHBondContact OE1-CE 3.29Å; E552-K630 IonicContact OE1-NZ 2.64Å; E552-K630 PolarHBondContact OE1-NZ 2.82Å |
| 553 | G | 80.9 | Confident | 86 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 22 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S621 D622 | G553-S621 PolarHBondContact N-OG 3.34Å; G553-S621 VanDerWaalsContact N-OG 3.15Å; G553-D622 PolarHBondContact N-O 2.97Å |
| 554 | E | 85.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | trans | -67.2 | 135.6 | 172.5 | -62.5 | -75.7 | -174.4 | 0 | 0 | 110.1 | G551 E552 H620 S621 | G551-E554 WeakPolarHBondContact O-CG 3.35Å; E552-E554 VanDerWaalsContact C-N 3.35Å; E554-H620 WeakPolarHBondContact O-CA 3.38Å; E554-S621 PolarHBondContact N-OG 3.38Å; E554-S621 PolarHBondContact O-N 3.1Å | ||
| 555 | D | 90.1 | Very high | 84.9 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 91.4 | 179.2 | -174 | 11.3 | 0 | 0 | 0 | 109.2 | H620 | D555-H620 IonicContact OD1-CE1 3.74Å; D555-H620 PolarHBondContact OD1-CE1 2.9Å; D555-H620 IonicContact OD1-ND1 3.68Å; D555-H620 PolarHBondContact OD1-ND1 2.85Å |
| 556 | C | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.2 | -167.6 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | C530 P544 W558 T618 F619 | C530-C556 VanDerWaalsContact CA-SG 3.56Å; C530-C556 HydrophobicContact CB-CB 4.07Å; C530-C556 WeakPolarHBondContact CB-SG 3.45Å; C530-C556 WeakPolarHBondContact SG-CA 3.44Å; C530-C556 WeakPolarHBondContact SG-CB 3.49Å; C530-C556 CovalentContact SG-SG 2.03Å; C530-C556 PolarHBondContact SG-SG 3.38Å; P544-C556 WeakPolarHBondContact CG-SG 3.38Å; C556-W558 HydrophobicContact CB-CE3 4.32Å; C556-W558 HydrophobicContact CB-CH2 3.38Å; C556-W558 HydrophobicContact CB-CZ2 3.96Å; C556-W558 HydrophobicContact CB-CZ3 3.59Å; C556-T618 CarbonylContact O-C 3.53Å; C556-T618 VanDerWaalsContact O-CA 3.25Å; C556-T618 WeakPolarHBondContact O-CA 3.48Å; C556-F619 HydrophobicContact CB-CB 4.4Å; C556-F619 PolarHBondContact N-O 3.37Å; C556-F619 PolarHBondContact O-N 2.75Å |
| 557 | S | 93.8 | Very high | 85.1 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 114.7 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | G531 G532 T616 V617 | G531-S557 CarbonylContact C-O 3.5Å; G531-S557 WeakPolarHBondContact CA-O 3.25Å; G532-S557 PolarHBondContact N-O 2.94Å; S557-T616 WeakPolarHBondContact OG-CG2 3.48Å; S557-V617 WeakPolarHBondContact CA-O 3.4Å |
| 558 | W | 94.3 | Very high | 85.8 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.045 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.9 | 172.9 | -59.3 | -91.6 | 0 | 0 | 0 | 109 | Q529 G532 L534 I541 C556 T616 V617 F619 F634 | Q529-W558 WeakPolarHBondContact O-CZ2 3.48Å; Q529-W558 PolarHBondContact O-NE1 2.64Å; Q529-W558 VanDerWaalsContact O-NE1 3.14Å; G532-W558 CarbonylContact O-C 3.51Å; G532-W558 WeakPolarHBondContact O-CA 3.39Å; L534-W558 HydrophobicContact CD1-CB 4.04Å; L534-W558 HydrophobicContact CD1-CG 4.45Å; I541-W558 HydrophobicContact CD1-CB 3.97Å; I541-W558 HydrophobicContact CD1-CG 4.31Å; I541-W558 HydrophobicContact CG2-CD2 3.58Å; I541-W558 HydrophobicContact CG2-CE3 3.98Å; I541-W558 HydrophobicContact CG2-CG 3.86Å; I541-W558 HydrophobicContact CG2-CZ2 4.18Å; I541-W558 HydrophobicContact CG2-CZ3 4.44Å; C556-W558 HydrophobicContact CB-CE3 4.32Å; C556-W558 HydrophobicContact CB-CH2 3.38Å; C556-W558 HydrophobicContact CB-CZ2 3.96Å; C556-W558 HydrophobicContact CB-CZ3 3.59Å; W558-T616 WeakPolarHBondContact O-CA 3.41Å; W558-V617 HydrophobicContact CE3-CB 4.4Å; W558-V617 HydrophobicContact CE3-CG1 4.4Å; W558-V617 PolarHBondContact N-O 2.77Å; W558-V617 PolarHBondContact O-N 2.85Å; W558-F619 HydrophobicContact CH2-CB 4.28Å; W558-F619 HydrophobicContact CZ3-CB 3.84Å; W558-F634 HydrophobicContact CH2-CE2 4.2Å; W558-F634 AromaticContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CZ3-CE2 4.33Å; W558-F634 AromaticContact CZ3-CZ 3.97Å; W558-F634 HydrophobicContact CZ3-CZ 3.97Å |
| 559 | R | 93 | Very high | 86.4 | Confident | 117 Ų | 117 | 57.5 Ų | 57.5 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114.3 | 177 | -67.5 | -179.2 | -66.2 | -89.1 | -4.6 | 109 | G532 D533 L534 T616 | G532-R559 PolarHBondContact O-N 2.82Å; D533-R559 IonicContact OD1-CZ 3.2Å; D533-R559 IonicContact OD1-NE 3.38Å; D533-R559 PolarHBondContact OD1-NE 3.38Å; D533-R559 IonicContact OD1-NH2 2.84Å; D533-R559 PolarHBondContact OD1-NH2 2.83Å; D533-R559 IonicContact OD2-CZ 2.68Å; D533-R559 IonicContact OD2-NH2 3.12Å; D533-R559 PolarHBondContact OD2-NH2 3.4Å; L534-R559 PolarHBondContact N-O 2.91Å; R559-T616 HydrophobicContact CG-CG2 4.1Å |
| 560 | I | 93.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.4 | 178.5 | -48.6 | 171.1 | 0 | 0 | 0 | 108.3 | L534 I541 V568 L570 D614 L615 V617 Y638 | L534-I560 HydrophobicContact CB-CG1 4.41Å; L534-I560 HydrophobicContact CD1-CG1 4.21Å; L534-I560 WeakPolarHBondContact O-CA 3.23Å; I541-I560 HydrophobicContact CD1-CD1 3.82Å; I541-I560 HydrophobicContact CD1-CG1 4.16Å; I560-V568 HydrophobicContact CB-CG2 4.33Å; I560-V568 HydrophobicContact CD1-CG1 4.15Å; I560-V568 HydrophobicContact CG2-CG1 4.27Å; I560-V568 HydrophobicContact CG2-CG2 3.8Å; I560-L570 HydrophobicContact CD1-CD2 3.92Å; I560-D614 WeakPolarHBondContact O-CA 3.36Å; I560-L615 WeakPolarHBondContact CA-O 2.99Å; I560-L615 WeakPolarHBondContact CB-O 3.31Å; I560-L615 HydrophobicContact CD1-CD2 4.17Å; I560-L615 PolarHBondContact N-O 2.98Å; I560-L615 PolarHBondContact O-N 3.31Å; I560-V617 HydrophobicContact CD1-CG2 4.34Å; I560-Y638 HydrophobicContact CD1-CD1 4.21Å; I560-Y638 HydrophobicContact CD1-CD2 4.41Å; I560-Y638 HydrophobicContact CD1-CG 3.97Å; I560-Y638 HydrophobicContact CG2-CD2 3.61Å; I560-Y638 HydrophobicContact CG2-CE2 3.66Å; I560-Y638 HydrophobicContact CG2-CG 4.22Å |
| 561 | H | 92.3 | Very high | 87.6 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.2 | 172.3 | 174.9 | 82.8 | 0 | 0 | 0 | 109.6 | L534 T535 D614 | L534-H561 PolarHBondContact O-N 2.98Å; T535-H561 HydrophobicContact CG2-CB 4.22Å; H561-D614 IonicContact CE1-OD1 3.62Å; H561-D614 IonicContact CG-OD1 3.5Å; H561-D614 IonicContact ND1-OD1 3.65Å; H561-D614 PolarHBondContact ND1-OD1 3.05Å |
| 562 | V | 90.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -103.1 | 165.2 | 169.6 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | K566 V568 P613 E640 | V562-K566 HydrophobicContact CB-CB 4.26Å; V562-K566 HydrophobicContact CG2-CB 3.79Å; V562-V568 HydrophobicContact CG1-CG2 4.08Å; V562-V568 HydrophobicContact CG2-CG2 3.98Å; V562-P613 HydrophobicContact CG2-CB 4.15Å; V562-P613 WeakPolarHBondContact CG2-O 3.39Å; V562-P613 PolarHBondContact N-O 2.86Å; V562-P613 WeakPolarHBondContact O-CB 3.48Å; V562-E640 HydrophobicContact CB-CB 4.17Å; V562-E640 HydrophobicContact CG1-CB 3.88Å | ||
| 563 | G | 86.2 | Confident | 88.8 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | trans | -58.8 | 144.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D565 K566 | G563-D565 VanDerWaalsContact C-N 3.28Å; G563-D565 PolarHBondContact O-N 2.99Å; G563-K566 WeakPolarHBondContact O-CA 3.47Å; G563-K566 WeakPolarHBondContact O-CB 3.12Å; G563-K566 WeakPolarHBondContact O-CG 3.41Å; G563-K566 PolarHBondContact O-N 3.36Å | ||
| 564 | E | 81.5 | Confident | 89.1 | Confident | 145 Ų | 145 | 51.3 Ų | 51.3 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.2 | -41 | -171.2 | -56.8 | -71.4 | 155 | 0 | 0 | 116.6 | K566 | E564-K566 VanDerWaalsContact C-N 3.28Å; E564-K566 PolarHBondContact O-N 3.3Å |
| 565 | D | 76.3 | Confident | 89.3 | Confident | 136 Ų | 136 | 48.9 Ų | 48.9 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 6.5 | -179.5 | -68.7 | -53.1 | 0 | 0 | 0 | 114.1 | G563 R643 | G563-D565 VanDerWaalsContact C-N 3.28Å; G563-D565 PolarHBondContact O-N 2.99Å; D565-R643 WeakPolarHBondContact O-CB 3.24Å; D565-R643 PolarHBondContact O-N 2.83Å |
| 566 | K | 82.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 177.4 | -176.9 | -52.8 | -57 | 177.7 | 76.2 | 0 | 111.4 | V562 G563 E564 E640 V641 | V562-K566 HydrophobicContact CB-CB 4.26Å; V562-K566 HydrophobicContact CG2-CB 3.79Å; G563-K566 WeakPolarHBondContact O-CA 3.47Å; G563-K566 WeakPolarHBondContact O-CB 3.12Å; G563-K566 WeakPolarHBondContact O-CG 3.41Å; G563-K566 PolarHBondContact O-N 3.36Å; E564-K566 VanDerWaalsContact C-N 3.28Å; E564-K566 PolarHBondContact O-N 3.3Å; K566-E640 HydrophobicContact CB-CB 4.42Å; K566-E640 IonicContact NZ-OE1 2.7Å; K566-E640 PolarHBondContact NZ-OE1 3.32Å; K566-E640 IonicContact NZ-OE2 2.73Å; K566-V641 WeakPolarHBondContact CA-O 3.41Å |
| 567 | R | 86.8 | Confident | 88.9 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.6 | 171.6 | 57.9 | 178.8 | -179.8 | 140.2 | 10.7 | 109.1 | S610 V641 S642 | R567-S610 WeakPolarHBondContact CD-O 3.34Å; R567-V641 HydrophobicContact CG-CB 4.44Å; R567-V641 PolarHBondContact N-O 2.87Å; R567-V641 PolarHBondContact O-N 2.84Å; R567-S642 PolarHBondContact NE-O 2.03Å; R567-S642 VanDerWaalsContact NE-O 3.09Å |
| 568 | V | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131.1 | 174.9 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | I560 V562 L570 S610 L615 Y638 | I560-V568 HydrophobicContact CB-CG2 4.33Å; I560-V568 HydrophobicContact CD1-CG1 4.15Å; I560-V568 HydrophobicContact CG2-CG1 4.27Å; I560-V568 HydrophobicContact CG2-CG2 3.8Å; V562-V568 HydrophobicContact CG1-CG2 4.08Å; V562-V568 HydrophobicContact CG2-CG2 3.98Å; V568-L570 HydrophobicContact CG1-CD2 3.68Å; V568-L570 HydrophobicContact CG1-CG 4.26Å; V568-S610 WeakPolarHBondContact O-CB 3.47Å; V568-S610 PolarHBondContact O-N 3.22Å; V568-L615 HydrophobicContact CB-CB 4.23Å; V568-L615 HydrophobicContact CB-CD1 4.23Å; V568-L615 HydrophobicContact CG1-CD1 4.44Å; V568-L615 HydrophobicContact CG2-CB 3.99Å; V568-Y638 HydrophobicContact CG1-CD2 4.47Å |
| 569 | L | 89.4 | Confident | 87.8 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.5 | 158.2 | -179.5 | 79.8 | 0 | 0 | 0 | 108 | L608 S609 Y638 I639 V641 | L569-L608 WeakPolarHBondContact CD1-O 3.45Å; L569-S609 VanDerWaalsContact CD1-OG 3.29Å; L569-S609 WeakPolarHBondContact CD1-OG 3.37Å; L569-Y638 WeakPolarHBondContact O-CA 3.01Å; L569-I639 HydrophobicContact CB-CG1 4Å; L569-I639 HydrophobicContact CD2-CD1 4.02Å; L569-I639 HydrophobicContact CD2-CG1 4.16Å; L569-I639 PolarHBondContact N-O 2.84Å; L569-I639 PolarHBondContact O-N 2.82Å; L569-V641 HydrophobicContact CB-CG2 3.47Å; L569-V641 VanDerWaalsContact CB-CG2 3.47Å; L569-V641 HydrophobicContact CD2-CG2 4.16Å; L569-V641 HydrophobicContact CG-CG2 4.41Å |
| 570 | L | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138 | 171.5 | -55.8 | 177.7 | 0 | 0 | 0 | 109.7 | I560 V568 F585 K607 L608 L615 I636 | I560-L570 HydrophobicContact CD1-CD2 3.92Å; V568-L570 HydrophobicContact CG1-CD2 3.68Å; V568-L570 HydrophobicContact CG1-CG 4.26Å; L570-F585 HydrophobicContact CD1-CD1 3.33Å; L570-F585 HydrophobicContact CD1-CE1 3.6Å; L570-F585 HydrophobicContact CD1-CG 4.29Å; L570-K607 CarbonylContact O-C 3.57Å; L570-K607 WeakPolarHBondContact O-CA 3.33Å; L570-K607 WeakPolarHBondContact O-CB 3.27Å; L570-L608 HydrophobicContact CB-CB 4.34Å; L570-L608 PolarHBondContact N-O 3.24Å; L570-L608 PolarHBondContact O-N 3.37Å; L570-L615 HydrophobicContact CD1-CD1 3.79Å; L570-L615 HydrophobicContact CD1-CD2 3.85Å; L570-L615 HydrophobicContact CD2-CD2 4.45Å; L570-L615 HydrophobicContact CG-CD1 4.1Å; L570-I636 HydrophobicContact CB-CG2 4.3Å; L570-I636 HydrophobicContact CD2-CG2 4.14Å |
| 571 | D | 91.7 | Very high | 86.9 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 95.4 | 176 | -168.9 | 21.6 | 0 | 0 | 0 | 107.7 | Q573 K607 N637 | D571-Q573 PolarHBondContact O-N 2.84Å; D571-K607 WeakPolarHBondContact OD1-CD 3.48Å; D571-K607 WeakPolarHBondContact OD1-CE 3.12Å; D571-K607 WeakPolarHBondContact OD1-CG 3.39Å; D571-K607 IonicContact OD1-NZ 3.62Å; D571-K607 PolarHBondContact OD1-NZ 3.29Å; D571-K607 IonicContact OD2-NZ 2.77Å; D571-K607 PolarHBondContact OD2-NZ 2.68Å; D571-N637 HydrophobicContact CB-CB 4.29Å; D571-N637 PolarHBondContact N-O 2.97Å; D571-N637 PolarHBondContact O-N 3.18Å |
| 572 | V | 91.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 98.6 | -177.1 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | L575 F585 P605 F606 I636 | V572-L575 HydrophobicContact CG1-CB 3.73Å; V572-L575 HydrophobicContact CG1-CD2 4.34Å; V572-F585 HydrophobicContact CG2-CZ 4Å; V572-P605 VanDerWaalsContact O-CA 3.23Å; V572-P605 WeakPolarHBondContact O-CA 3.38Å; V572-P605 WeakPolarHBondContact O-CB 3.37Å; V572-F606 HydrophobicContact CB-CD1 4.37Å; V572-F606 HydrophobicContact CB-CD2 4.24Å; V572-F606 HydrophobicContact CB-CE1 4.17Å; V572-F606 HydrophobicContact CB-CE2 4.02Å; V572-F606 HydrophobicContact CB-CG 4.4Å; V572-F606 HydrophobicContact CB-CZ 3.97Å; V572-F606 WeakPolarHBondContact CB-O 3.41Å; V572-F606 HydrophobicContact CG1-CE1 4Å; V572-F606 HydrophobicContact CG1-CZ 4Å; V572-F606 HydrophobicContact CG2-CD2 4.09Å; V572-F606 HydrophobicContact CG2-CE1 4.46Å; V572-F606 HydrophobicContact CG2-CE2 3.56Å; V572-F606 HydrophobicContact CG2-CZ 3.77Å; V572-F606 PolarHBondContact N-O 3.03Å; V572-F606 PolarHBondContact O-N 2.99Å; V572-F606 VanDerWaalsContact O-N 3.13Å; V572-I636 HydrophobicContact CG1-CG1 4.45Å; V572-I636 HydrophobicContact CG2-CG1 4.35Å; V572-I636 HydrophobicContact CG2-CG2 4.28Å |
| 573 | Q | 88.8 | Confident | 86.9 | Confident | 100 Ų | 100 | 48.1 Ų | 48.1 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -29.2 | -174.4 | -64.5 | -175.6 | -8.1 | 0 | 0 | 112.3 | D571 P605 I635 | D571-Q573 PolarHBondContact O-N 2.84Å; Q573-P605 WeakPolarHBondContact O-CG 3.4Å; Q573-I635 HydrophobicContact CB-CB 4.49Å; Q573-I635 HydrophobicContact CB-CG2 4.41Å; Q573-I635 PolarHBondContact N-O 2.93Å |
| 574 | L | 87.4 | Confident | 87.2 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 134.8 | 171.6 | -179.1 | 68 | 0 | 0 | 0 | 108.6 | W546 N576 F634 I635 | W546-L574 HydrophobicContact CH2-CD2 3.51Å; W546-L574 HydrophobicContact CZ3-CD2 3.76Å; L574-N576 HydrophobicContact CD1-CB 4.41Å; L574-F634 CarbonylContact O-C 3.57Å; L574-F634 VanDerWaalsContact O-CA 3.23Å; L574-F634 WeakPolarHBondContact O-CA 3.31Å; L574-F634 WeakPolarHBondContact O-CB 3.08Å; L574-I635 HydrophobicContact CB-CB 4.11Å; L574-I635 HydrophobicContact CB-CD1 4.15Å; L574-I635 HydrophobicContact CB-CG1 4.04Å; L574-I635 HydrophobicContact CD2-CD1 4.25Å; L574-I635 HydrophobicContact CD2-CG1 4.32Å; L574-I635 PolarHBondContact N-O 2.89Å; L574-I635 PolarHBondContact O-N 2.77Å |
| 575 | L | 90.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 100 | 166.8 | 177 | 53.6 | 0 | 0 | 0 | 109.1 | V572 I577 L583 Y599 G602 S603 F606 F634 | V572-L575 HydrophobicContact CG1-CB 3.73Å; V572-L575 HydrophobicContact CG1-CD2 4.34Å; L575-I577 HydrophobicContact CD1-CD1 4.18Å; L575-I577 HydrophobicContact CD1-CG1 4.08Å; L575-I577 HydrophobicContact CD1-CG2 4.08Å; L575-L583 HydrophobicContact CD1-CB 4.49Å; L575-L583 HydrophobicContact CD1-CD2 3.62Å; L575-L583 HydrophobicContact CD2-CD2 3.96Å; L575-L583 HydrophobicContact CG-CD2 4.46Å; L575-Y599 HydrophobicContact CD2-CD1 4.09Å; L575-Y599 HydrophobicContact CD2-CG 3.92Å; L575-G602 WeakPolarHBondContact O-CA 3.49Å; L575-S603 PolarHBondContact O-N 2.84Å; L575-F606 HydrophobicContact CD2-CE1 4Å; L575-F606 HydrophobicContact CD2-CZ 4.08Å; L575-F634 HydrophobicContact CD1-CB 3.85Å; L575-F634 HydrophobicContact CD1-CD1 4.49Å |
| 576 | N | 87.3 | Confident | 88.6 | Confident | 50 Ų | 50 | 34.4 Ų | 34.4 | 27% | 0.267 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 87.2 | 179.4 | -174.4 | 12.2 | 0 | 0 | 0 | 108.3 | L574 G631 E632 G633 | L574-N576 HydrophobicContact CD1-CB 4.41Å; N576-G631 CarbonylContact O-C 3.55Å; N576-G631 WeakPolarHBondContact O-CA 3.47Å; N576-E632 HydrophobicContact CB-CB 4.25Å; N576-E632 WeakPolarHBondContact ND2-CG 3.38Å; N576-E632 PolarHBondContact ND2-OE2 3.5Å; N576-E632 PolarHBondContact O-N 3.15Å; N576-G633 CarbonylContact C-O 3.45Å; N576-G633 PolarHBondContact N-O 3.43Å; N576-G633 PolarHBondContact O-N 2.96Å |
| 577 | I | 87.3 | Confident | 89 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | trans | -113.4 | 171.5 | 177.8 | 55.8 | 173.1 | 0 | 0 | 0 | 109.7 | Y550 L575 D581 L583 G601 F619 F634 | Y550-I577 HydrophobicContact CE1-CG2 4.33Å; L575-I577 HydrophobicContact CD1-CD1 4.18Å; L575-I577 HydrophobicContact CD1-CG1 4.08Å; L575-I577 HydrophobicContact CD1-CG2 4.08Å; I577-D581 HydrophobicContact CB-CB 4.24Å; I577-D581 HydrophobicContact CD1-CB 4.42Å; I577-L583 HydrophobicContact CD1-CB 4Å; I577-G601 WeakPolarHBondContact CG1-O 2.98Å; I577-G601 PolarHBondContact N-O 2.94Å; I577-G601 VanDerWaalsContact N-O 3.09Å; I577-G601 CarbonylContact O-C 3.48Å; I577-G601 VanDerWaalsContact O-C 3.22Å; I577-G601 WeakPolarHBondContact O-CA 3.39Å; I577-F619 HydrophobicContact CB-CE2 4.49Å; I577-F619 HydrophobicContact CD1-CE2 4.37Å; I577-F619 HydrophobicContact CG2-CE2 3.95Å; I577-F634 HydrophobicContact CG2-CD1 3.95Å | ||
| 578 | S | 83.8 | Confident | 88.7 | Confident | 27 Ų | 27 | 28.8 Ų | 28.8 | 19% | 0.189 | 16% | 0.158 | C | C | . | . | trans | -62.6 | 156.7 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | Y550 S580 D581 G601 | Y550-S578 PolarHBondContact OH-N 3.45Å; S578-S580 WeakPolarHBondContact CB-OG 3.48Å; S578-S580 PolarHBondContact O-N 2.91Å; S578-S580 PolarHBondContact OG-N 2.92Å; S578-S580 VanDerWaalsContact OG-N 3.15Å; S578-S580 PolarHBondContact OG-OG 3.34Å; S578-D581 WeakPolarHBondContact CB-OD2 3.33Å; S578-D581 PolarHBondContact N-OD2 2.8Å; S578-D581 PolarHBondContact O-N 2.84Å; S578-G601 PolarHBondContact O-N 3.2Å | ||
| 579 | D | 81.4 | Confident | 87.9 | Confident | 138 Ų | 138 | 31.8 Ų | 31.8 | 74% | 0.738 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -65.6 | -15.3 | 166 | -68.2 | -33.4 | 0 | 0 | 0 | 112.5 | G601 | D579-G601 VanDerWaalsContact OD1-CA 3.29Å; D579-G601 WeakPolarHBondContact OD1-CA 3.23Å |
| 580 | S | 80 | Confident | 86.8 | Confident | 66 Ų | 66 | 39.1 Ų | 39.1 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -93.2 | -19.9 | 173.7 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | S578 D622 | S578-S580 WeakPolarHBondContact CB-OG 3.48Å; S578-S580 PolarHBondContact O-N 2.91Å; S578-S580 PolarHBondContact OG-N 2.92Å; S578-S580 VanDerWaalsContact OG-N 3.15Å; S578-S580 PolarHBondContact OG-OG 3.34Å; S580-D622 WeakPolarHBondContact CB-OD2 3.5Å; S580-D622 PolarHBondContact OG-OD2 3.38Å |
| 581 | D | 87.1 | Confident | 85.4 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | trans | -88.7 | 161.5 | 178.6 | -59.9 | -40.2 | 0 | 0 | 0 | 110.8 | Y550 I577 S578 V600 F619 S621 D622 | Y550-D581 WeakPolarHBondContact CE2-OD2 3.36Å; Y550-D581 VanDerWaalsContact CZ-OD2 3.24Å; Y550-D581 PolarHBondContact OH-OD2 3.46Å; I577-D581 HydrophobicContact CB-CB 4.24Å; I577-D581 HydrophobicContact CD1-CB 4.42Å; S578-D581 WeakPolarHBondContact CB-OD2 3.33Å; S578-D581 PolarHBondContact N-OD2 2.8Å; S578-D581 PolarHBondContact O-N 2.84Å; D581-V600 WeakPolarHBondContact O-CG1 3.43Å; D581-F619 HydrophobicContact CB-CE2 4.08Å; D581-F619 HydrophobicContact CB-CZ 4.34Å; D581-S621 WeakPolarHBondContact OD1-CA 3.28Å; D581-S621 VanDerWaalsContact OD1-CB 3.27Å; D581-S621 WeakPolarHBondContact OD1-CB 3.49Å; D581-D622 PolarHBondContact OD1-N 2.96Å | ||
| 582 | M | 90.4 | Very high | 84.4 | Confident | 52 Ų | 52 | 48 Ų | 48 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 129.5 | -176.4 | -168.2 | 173.5 | -65.1 | 0 | 0 | 114.6 | R598 V600 F619 H620 | M582-R598 PolarHBondContact SD-NE 2.78Å; M582-R598 VanDerWaalsContact SD-NE 3.42Å; M582-R598 PolarHBondContact SD-NH2 2.86Å; M582-V600 HydrophobicContact CB-CG1 4.41Å; M582-V600 HydrophobicContact CE-CG1 3.99Å; M582-V600 HydrophobicContact CG-CG1 4.23Å; M582-F619 WeakPolarHBondContact O-CA 3.42Å; M582-F619 WeakPolarHBondContact O-CD2 3.34Å; M582-H620 PolarHBondContact N-O 2.92Å; M582-H620 PolarHBondContact O-N 2.84Å |
| 583 | L | 93.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.5 | 170 | -173.4 | 70.7 | 0 | 0 | 0 | 109.9 | L575 I577 F585 R598 Y599 V617 T618 F619 F634 I636 | L575-L583 HydrophobicContact CD1-CB 4.49Å; L575-L583 HydrophobicContact CD1-CD2 3.62Å; L575-L583 HydrophobicContact CD2-CD2 3.96Å; L575-L583 HydrophobicContact CG-CD2 4.46Å; I577-L583 HydrophobicContact CD1-CB 4Å; L583-F585 HydrophobicContact CD2-CE1 4.5Å; L583-F585 HydrophobicContact CD2-CE2 3.79Å; L583-F585 HydrophobicContact CD2-CZ 3.57Å; L583-F585 HydrophobicContact CG-CE2 4.06Å; L583-F585 HydrophobicContact CG-CZ 4.09Å; L583-R598 WeakPolarHBondContact O-CA 3.13Å; L583-Y599 PolarHBondContact N-O 3.07Å; L583-Y599 PolarHBondContact O-N 2.92Å; L583-V617 HydrophobicContact CD1-CG1 3.75Å; L583-T618 CarbonylContact C-O 3.58Å; L583-T618 WeakPolarHBondContact CA-O 3.43Å; L583-F619 HydrophobicContact CB-CD2 4.44Å; L583-F619 HydrophobicContact CD1-CB 3.95Å; L583-F619 HydrophobicContact CD1-CD2 4.32Å; L583-F634 HydrophobicContact CD1-CD1 4.48Å; L583-F634 HydrophobicContact CD1-CE1 4.09Å; L583-F634 HydrophobicContact CD1-CE2 4.35Å; L583-F634 HydrophobicContact CD1-CZ 4Å; L583-F634 HydrophobicContact CD2-CD1 4.48Å; L583-F634 HydrophobicContact CD2-CG 4.4Å; L583-I636 HydrophobicContact CD2-CD1 4.01Å |
| 584 | T | 92.8 | Very high | 83.6 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.1 | -179.6 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | T586 I595 R598 V617 T618 | T584-T586 HydrophobicContact CG2-CG2 4.36Å; T584-I595 HydrophobicContact CG2-CG2 4.3Å; T584-R598 HydrophobicContact CG2-CG 3.96Å; T584-V617 WeakPolarHBondContact O-CA 3.4Å; T584-T618 PolarHBondContact N-O 2.77Å; T584-T618 PolarHBondContact O-N 2.8Å |
| 585 | F | 94.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.4 | 174.8 | -61.2 | -84.9 | 0 | 0 | 0 | 110.1 | L570 V572 L583 I595 L596 G597 Y599 F606 L608 V617 I636 | L570-F585 HydrophobicContact CD1-CD1 3.33Å; L570-F585 HydrophobicContact CD1-CE1 3.6Å; L570-F585 HydrophobicContact CD1-CG 4.29Å; V572-F585 HydrophobicContact CG2-CZ 4Å; L583-F585 HydrophobicContact CD2-CE1 4.5Å; L583-F585 HydrophobicContact CD2-CE2 3.79Å; L583-F585 HydrophobicContact CD2-CZ 3.57Å; L583-F585 HydrophobicContact CG-CE2 4.06Å; L583-F585 HydrophobicContact CG-CZ 4.09Å; F585-I595 CarbonylContact O-C 3.58Å; F585-I595 WeakPolarHBondContact O-CA 3.12Å; F585-L596 HydrophobicContact CB-CB 4.18Å; F585-L596 PolarHBondContact O-N 2.73Å; F585-G597 PolarHBondContact N-O 3.12Å; F585-Y599 AromaticContact CD2-CD2 3.68Å; F585-Y599 HydrophobicContact CD2-CD2 3.68Å; F585-Y599 AromaticContact CD2-CE2 3.57Å; F585-Y599 HydrophobicContact CD2-CE2 3.57Å; F585-Y599 AromaticContact CE2-CD2 3.6Å; F585-Y599 HydrophobicContact CE2-CD2 3.6Å; F585-Y599 AromaticContact CE2-CE2 3.71Å; F585-Y599 HydrophobicContact CE2-CE2 3.71Å; F585-F606 HydrophobicContact CE2-CZ 4.38Å; F585-L608 HydrophobicContact CB-CD1 4.24Å; F585-L608 HydrophobicContact CD1-CD1 4.48Å; F585-L608 HydrophobicContact CD2-CD1 3.92Å; F585-L608 HydrophobicContact CE2-CD1 4.35Å; F585-L608 HydrophobicContact CG-CD1 3.97Å; F585-V617 HydrophobicContact CD1-CG1 4.1Å; F585-V617 HydrophobicContact CD1-CG2 3.93Å; F585-V617 HydrophobicContact CE1-CG1 3.96Å; F585-V617 HydrophobicContact CE1-CG2 4.15Å; F585-I636 HydrophobicContact CE1-CD1 4.01Å; F585-I636 HydrophobicContact CE1-CG2 4.48Å; F585-I636 HydrophobicContact CZ-CD1 4.04Å |
| 586 | T | 92.6 | Very high | 83.4 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 118.3 | -177.2 | 27.6 | 0 | 0 | 0 | 0 | 111.3 | T584 R594 I595 L615 T616 | T584-T586 HydrophobicContact CG2-CG2 4.36Å; T586-R594 CarbonylContact C-O 3.56Å; T586-R594 WeakPolarHBondContact CA-O 3.27Å; T586-I595 HydrophobicContact CG2-CB 4.43Å; T586-I595 HydrophobicContact CG2-CG1 3.75Å; T586-L615 CarbonylContact O-C 3.55Å; T586-L615 WeakPolarHBondContact O-CA 3.44Å; T586-T616 PolarHBondContact N-O 3.22Å; T586-T616 PolarHBondContact O-N 2.97Å; T586-T616 PolarHBondContact OG1-O 3.37Å |
| 587 | D | 89.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.4 | 175.5 | 165 | 19.9 | 0 | 0 | 0 | 109 | R594 L596 S610 S611 T612 | D587-R594 PolarHBondContact N-O 2.83Å; D587-R594 PolarHBondContact O-N 2.88Å; D587-L596 HydrophobicContact CB-CD1 3.97Å; D587-L596 HydrophobicContact CB-CD2 3.68Å; D587-L596 HydrophobicContact CB-CG 3.68Å; D587-S610 VanDerWaalsContact CG-OG 3.3Å; D587-S610 PolarHBondContact OD1-OG 2.77Å; D587-S611 VanDerWaalsContact CG-N 3.3Å; D587-S611 PolarHBondContact OD1-N 2.84Å; D587-S611 PolarHBondContact OD1-OG 2.89Å; D587-S611 VanDerWaalsContact OD2-CB 3.29Å; D587-S611 WeakPolarHBondContact OD2-CB 3.39Å; D587-S611 PolarHBondContact OD2-N 3.33Å; D587-S611 PolarHBondContact OD2-OG 2.85Å; D587-T612 WeakPolarHBondContact OD1-CB 3.29Å; D587-T612 WeakPolarHBondContact OD1-CG2 3.31Å; D587-T612 PolarHBondContact OD1-N 3.4Å; D587-T612 PolarHBondContact OD1-OG1 2.9Å |
| 588 | G | 82.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 115.5 | 161.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T612 D614 | G588-T612 VanDerWaalsContact CA-OG1 3.25Å; G588-T612 WeakPolarHBondContact CA-OG1 3.48Å; G588-T612 PolarHBondContact N-OG1 3.09Å; G588-D614 PolarHBondContact N-O 2.93Å |
| 589 | D | 72.4 | Confident | 83.8 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | trans | -71.2 | 175.6 | 172.9 | 77.9 | -42.5 | 0 | 0 | 0 | 111.7 | V591 T592 T593 | D589-V591 PolarHBondContact O-N 2.97Å; D589-V591 PolarHBondContact OD1-N 2.81Å; D589-V591 WeakPolarHBondContact OD2-CB 3.29Å; D589-V591 WeakPolarHBondContact OD2-CG2 3.47Å; D589-V591 PolarHBondContact OD2-N 3.13Å; D589-T592 PolarHBondContact O-N 2.96Å; D589-T592 VanDerWaalsContact O-N 3.15Å; D589-T592 WeakPolarHBondContact OD1-CA 3.49Å; D589-T592 VanDerWaalsContact OD1-CB 3.28Å; D589-T592 WeakPolarHBondContact OD1-CB 3.42Å; D589-T592 PolarHBondContact OD1-N 2.91Å; D589-T592 PolarHBondContact OD1-OG1 2.93Å; D589-T593 WeakPolarHBondContact O-CG2 3.36Å; D589-T593 PolarHBondContact O-N 2.84Å | ||
| 590 | E | 66.6 | Low | 84.2 | Confident | 193 Ų | 193 | 63.2 Ų | 63.2 | 90% | 0.902 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -18.5 | 179.1 | -163.6 | 175.7 | -163 | 0 | 0 | 113.3 | ||
| 591 | V | 63.5 | Low | 84.3 | Confident | 125 Ų | 125 | 60.2 Ų | 60.2 | 76% | 0.758 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -31.8 | 179.4 | -169.4 | 0 | 0 | 0 | 0 | 113.5 | D589 | D589-V591 PolarHBondContact O-N 2.97Å; D589-V591 PolarHBondContact OD1-N 2.81Å; D589-V591 WeakPolarHBondContact OD2-CB 3.29Å; D589-V591 WeakPolarHBondContact OD2-CG2 3.47Å; D589-V591 PolarHBondContact OD2-N 3.13Å |
| 592 | T | 69 | Low | 84 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 22 | -171.4 | 67.2 | 0 | 0 | 0 | 0 | 115.4 | D589 R594 | D589-T592 PolarHBondContact O-N 2.96Å; D589-T592 VanDerWaalsContact O-N 3.15Å; D589-T592 WeakPolarHBondContact OD1-CA 3.49Å; D589-T592 VanDerWaalsContact OD1-CB 3.28Å; D589-T592 WeakPolarHBondContact OD1-CB 3.42Å; D589-T592 PolarHBondContact OD1-N 2.91Å; D589-T592 PolarHBondContact OD1-OG1 2.93Å; T592-R594 PolarHBondContact O-N 3.15Å |
| 593 | T | 79.1 | Confident | 83.6 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | trans | -44.9 | 131.2 | 179.9 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | D589 | D589-T593 WeakPolarHBondContact O-CG2 3.36Å; D589-T593 PolarHBondContact O-N 2.84Å | ||
| 594 | R | 84.6 | Confident | 82.8 | Confident | 158 Ų | 158 | 66.8 Ų | 66.8 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.2 | 171.8 | 177.4 | -174.8 | 175.4 | -172.2 | -1.4 | 109.5 | T586 D587 T592 L596 | T586-R594 CarbonylContact C-O 3.56Å; T586-R594 WeakPolarHBondContact CA-O 3.27Å; D587-R594 PolarHBondContact N-O 2.83Å; D587-R594 PolarHBondContact O-N 2.88Å; T592-R594 PolarHBondContact O-N 3.15Å; R594-L596 PolarHBondContact O-N 2.76Å |
| 595 | I | 87.9 | Confident | 82.5 | Confident | 97 Ų | 97 | 70.8 Ų | 70.8 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 122.1 | 172.4 | -60.5 | 172.8 | 0 | 0 | 0 | 109.2 | T584 F585 T586 R598 | T584-I595 HydrophobicContact CG2-CG2 4.3Å; F585-I595 CarbonylContact O-C 3.58Å; F585-I595 WeakPolarHBondContact O-CA 3.12Å; T586-I595 HydrophobicContact CG2-CB 4.43Å; T586-I595 HydrophobicContact CG2-CG1 3.75Å; I595-R598 HydrophobicContact CG2-CG 3.88Å |
| 596 | L | 86.7 | Confident | 82.1 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -39.7 | 169.8 | -65.6 | -176.9 | 0 | 0 | 0 | 111.1 | F585 D587 R594 L615 | F585-L596 HydrophobicContact CB-CB 4.18Å; F585-L596 PolarHBondContact O-N 2.73Å; D587-L596 HydrophobicContact CB-CD1 3.97Å; D587-L596 HydrophobicContact CB-CD2 3.68Å; D587-L596 HydrophobicContact CB-CG 3.68Å; R594-L596 PolarHBondContact O-N 2.76Å; L596-L615 HydrophobicContact CD1-CD1 3.97Å |
| 597 | G | 84.6 | Confident | 81.7 | Confident | 14 Ų | 14 | 78 Ų | 78 | 14% | 0.144 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 160.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F585 | F585-G597 PolarHBondContact N-O 3.12Å |
| 598 | R | 91.6 | Very high | 81.5 | Confident | 157 Ų | 157 | 79.3 Ų | 79.3 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.1 | 171.2 | -58.6 | 176.3 | 81.5 | -156.8 | 13.8 | 107.1 | M582 L583 T584 I595 | M582-R598 PolarHBondContact SD-NE 2.78Å; M582-R598 VanDerWaalsContact SD-NE 3.42Å; M582-R598 PolarHBondContact SD-NH2 2.86Å; L583-R598 WeakPolarHBondContact O-CA 3.13Å; T584-R598 HydrophobicContact CG2-CG 3.96Å; I595-R598 HydrophobicContact CG2-CG 3.88Å |
| 599 | Y | 90.1 | Very high | 81.7 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 22% | 0.22 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.4 | -171.8 | -62 | -98.5 | 0 | 0 | 0 | 109.5 | L575 L583 F585 F606 L608 | L575-Y599 HydrophobicContact CD2-CD1 4.09Å; L575-Y599 HydrophobicContact CD2-CG 3.92Å; L583-Y599 PolarHBondContact N-O 3.07Å; L583-Y599 PolarHBondContact O-N 2.92Å; F585-Y599 AromaticContact CD2-CD2 3.68Å; F585-Y599 HydrophobicContact CD2-CD2 3.68Å; F585-Y599 AromaticContact CD2-CE2 3.57Å; F585-Y599 HydrophobicContact CD2-CE2 3.57Å; F585-Y599 AromaticContact CE2-CD2 3.6Å; F585-Y599 HydrophobicContact CE2-CD2 3.6Å; F585-Y599 AromaticContact CE2-CE2 3.71Å; F585-Y599 HydrophobicContact CE2-CE2 3.71Å; Y599-F606 AromaticContact CD1-CE1 3.94Å; Y599-F606 HydrophobicContact CD1-CE1 3.94Å; Y599-F606 AromaticContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD2-CZ 4.33Å; Y599-F606 HydrophobicContact CE1-CD1 4.39Å; Y599-F606 AromaticContact CE1-CE1 3.55Å; Y599-F606 HydrophobicContact CE1-CE1 3.55Å; Y599-F606 AromaticContact CE1-CE2 3.95Å; Y599-F606 HydrophobicContact CE1-CE2 3.95Å; Y599-F606 AromaticContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE2-CE2 4.2Å; Y599-F606 AromaticContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CG-CZ 4.3Å; Y599-F606 AromaticContact CZ-CE2 3.6Å; Y599-F606 AromaticContact CZ-CZ 3.35Å; Y599-F606 WeakPolarHBondContact OH-CE2 3.48Å; Y599-L608 HydrophobicContact CE2-CD1 4.39Å |
| 600 | V | 89.3 | Confident | 82.5 | Confident | 74 Ų | 74 | 79 Ų | 79 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | trans | -143.3 | 156.3 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 106.7 | D581 M582 | D581-V600 WeakPolarHBondContact O-CG1 3.43Å; M582-V600 HydrophobicContact CB-CG1 4.41Å; M582-V600 HydrophobicContact CE-CG1 3.99Å; M582-V600 HydrophobicContact CG-CG1 4.23Å | ||
| 601 | G | 83.5 | Confident | 83.2 | Confident | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | S | Bend | trans | 67.7 | -156.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I577 S578 D579 | I577-G601 WeakPolarHBondContact CG1-O 2.98Å; I577-G601 PolarHBondContact N-O 2.94Å; I577-G601 VanDerWaalsContact N-O 3.09Å; I577-G601 CarbonylContact O-C 3.48Å; I577-G601 VanDerWaalsContact O-C 3.22Å; I577-G601 WeakPolarHBondContact O-CA 3.39Å; S578-G601 PolarHBondContact O-N 3.2Å; D579-G601 VanDerWaalsContact OD1-CA 3.29Å; D579-G601 WeakPolarHBondContact OD1-CA 3.23Å |
| 602 | G | 80.8 | Confident | 84.3 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 58% | 0.577 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L575 | L575-G602 WeakPolarHBondContact O-CA 3.49Å |
| 603 | S | 81 | Confident | 85.2 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151.5 | 176.9 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | L575 | L575-S603 PolarHBondContact O-N 2.84Å |
| 604 | S | 77.1 | Confident | 85.7 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | trans | -69.3 | 149 | 174.7 | 54 | 0 | 0 | 0 | 0 | 111.6 | F606 | S604-F606 WeakPolarHBondContact O-CD1 3.01Å; S604-F606 PolarHBondContact O-N 2.75Å | ||
| 605 | P | 86.3 | Confident | 86.1 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 62% | 0.623 | 32% | 0.319 | S | S | * | . | trans | -53 | 136.7 | -178.1 | -26.6 | 34.5 | 0 | 0 | 0 | 113.9 | V572 Q573 | V572-P605 VanDerWaalsContact O-CA 3.23Å; V572-P605 WeakPolarHBondContact O-CA 3.38Å; V572-P605 WeakPolarHBondContact O-CB 3.37Å; Q573-P605 WeakPolarHBondContact O-CG 3.4Å | ||
| 606 | F | 85.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 165.3 | -176.6 | 65.7 | -97.7 | 0 | 0 | 0 | 112.7 | V572 L575 F585 Y599 S604 L608 | V572-F606 HydrophobicContact CB-CD1 4.37Å; V572-F606 HydrophobicContact CB-CD2 4.24Å; V572-F606 HydrophobicContact CB-CE1 4.17Å; V572-F606 HydrophobicContact CB-CE2 4.02Å; V572-F606 HydrophobicContact CB-CG 4.4Å; V572-F606 HydrophobicContact CB-CZ 3.97Å; V572-F606 WeakPolarHBondContact CB-O 3.41Å; V572-F606 HydrophobicContact CG1-CE1 4Å; V572-F606 HydrophobicContact CG1-CZ 4Å; V572-F606 HydrophobicContact CG2-CD2 4.09Å; V572-F606 HydrophobicContact CG2-CE1 4.46Å; V572-F606 HydrophobicContact CG2-CE2 3.56Å; V572-F606 HydrophobicContact CG2-CZ 3.77Å; V572-F606 PolarHBondContact N-O 3.03Å; V572-F606 PolarHBondContact O-N 2.99Å; V572-F606 VanDerWaalsContact O-N 3.13Å; L575-F606 HydrophobicContact CD2-CE1 4Å; L575-F606 HydrophobicContact CD2-CZ 4.08Å; F585-F606 HydrophobicContact CE2-CZ 4.38Å; Y599-F606 AromaticContact CD1-CE1 3.94Å; Y599-F606 HydrophobicContact CD1-CE1 3.94Å; Y599-F606 AromaticContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD1-CZ 3.81Å; Y599-F606 HydrophobicContact CD2-CZ 4.33Å; Y599-F606 HydrophobicContact CE1-CD1 4.39Å; Y599-F606 AromaticContact CE1-CE1 3.55Å; Y599-F606 HydrophobicContact CE1-CE1 3.55Å; Y599-F606 AromaticContact CE1-CE2 3.95Å; Y599-F606 HydrophobicContact CE1-CE2 3.95Å; Y599-F606 AromaticContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE1-CZ 3.29Å; Y599-F606 HydrophobicContact CE2-CE2 4.2Å; Y599-F606 AromaticContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CE2-CZ 3.9Å; Y599-F606 HydrophobicContact CG-CZ 4.3Å; Y599-F606 AromaticContact CZ-CE2 3.6Å; Y599-F606 AromaticContact CZ-CZ 3.35Å; Y599-F606 WeakPolarHBondContact OH-CE2 3.48Å; S604-F606 WeakPolarHBondContact O-CD1 3.01Å; S604-F606 PolarHBondContact O-N 2.75Å; F606-L608 HydrophobicContact CD2-CD2 4.31Å; F606-L608 HydrophobicContact CD2-CG 3.99Å; F606-L608 HydrophobicContact CE2-CD1 3.85Å; F606-L608 HydrophobicContact CE2-CD2 4.35Å; F606-L608 HydrophobicContact CE2-CG 3.81Å |
| 607 | K | 84.6 | Confident | 86.7 | Confident | 130 Ų | 130 | 49.8 Ų | 49.8 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.4 | 179.3 | -49.6 | -164.2 | -167.2 | -116.8 | 0 | 111.8 | L570 D571 | L570-K607 CarbonylContact O-C 3.57Å; L570-K607 WeakPolarHBondContact O-CA 3.33Å; L570-K607 WeakPolarHBondContact O-CB 3.27Å; D571-K607 WeakPolarHBondContact OD1-CD 3.48Å; D571-K607 WeakPolarHBondContact OD1-CE 3.12Å; D571-K607 WeakPolarHBondContact OD1-CG 3.39Å; D571-K607 IonicContact OD1-NZ 3.62Å; D571-K607 PolarHBondContact OD1-NZ 3.29Å; D571-K607 IonicContact OD2-NZ 2.77Å; D571-K607 PolarHBondContact OD2-NZ 2.68Å |
| 608 | L | 85.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.7 | 176.6 | -63.9 | 178.3 | 0 | 0 | 0 | 110.2 | L569 L570 F585 Y599 F606 | L569-L608 WeakPolarHBondContact CD1-O 3.45Å; L570-L608 HydrophobicContact CB-CB 4.34Å; L570-L608 PolarHBondContact N-O 3.24Å; L570-L608 PolarHBondContact O-N 3.37Å; F585-L608 HydrophobicContact CB-CD1 4.24Å; F585-L608 HydrophobicContact CD1-CD1 4.48Å; F585-L608 HydrophobicContact CD2-CD1 3.92Å; F585-L608 HydrophobicContact CE2-CD1 4.35Å; F585-L608 HydrophobicContact CG-CD1 3.97Å; Y599-L608 HydrophobicContact CE2-CD1 4.39Å; F606-L608 HydrophobicContact CD2-CD2 4.31Å; F606-L608 HydrophobicContact CD2-CG 3.99Å; F606-L608 HydrophobicContact CE2-CD1 3.85Å; F606-L608 HydrophobicContact CE2-CD2 4.35Å; F606-L608 HydrophobicContact CE2-CG 3.81Å |
| 609 | S | 86.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132.3 | 173.2 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | L569 | L569-S609 VanDerWaalsContact CD1-OG 3.29Å; L569-S609 WeakPolarHBondContact CD1-OG 3.37Å |
| 610 | S | 88.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -69 | 158 | 166.5 | -153.2 | 0 | 0 | 0 | 0 | 111.6 | R567 V568 D587 T612 | R567-S610 WeakPolarHBondContact CD-O 3.34Å; V568-S610 WeakPolarHBondContact O-CB 3.47Å; V568-S610 PolarHBondContact O-N 3.22Å; D587-S610 VanDerWaalsContact CG-OG 3.3Å; D587-S610 PolarHBondContact OD1-OG 2.77Å; S610-T612 WeakPolarHBondContact CB-O 3.25Å; S610-T612 PolarHBondContact OG-O 3.42Å | ||
| 611 | S | 82.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 42% | 0.42 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -102.8 | -17 | 167.6 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | D587 | D587-S611 VanDerWaalsContact CG-N 3.3Å; D587-S611 PolarHBondContact OD1-N 2.84Å; D587-S611 PolarHBondContact OD1-OG 2.89Å; D587-S611 VanDerWaalsContact OD2-CB 3.29Å; D587-S611 WeakPolarHBondContact OD2-CB 3.39Å; D587-S611 PolarHBondContact OD2-N 3.33Å; D587-S611 PolarHBondContact OD2-OG 2.85Å |
| 612 | T | 85 | Confident | 87.2 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -114.3 | 165.9 | 175 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | D587 G588 S610 D614 | D587-T612 WeakPolarHBondContact OD1-CB 3.29Å; D587-T612 WeakPolarHBondContact OD1-CG2 3.31Å; D587-T612 PolarHBondContact OD1-N 3.4Å; D587-T612 PolarHBondContact OD1-OG1 2.9Å; G588-T612 VanDerWaalsContact CA-OG1 3.25Å; G588-T612 WeakPolarHBondContact CA-OG1 3.48Å; G588-T612 PolarHBondContact N-OG1 3.09Å; S610-T612 WeakPolarHBondContact CB-O 3.25Å; S610-T612 PolarHBondContact OG-O 3.42Å; T612-D614 PolarHBondContact O-N 2.68Å; T612-D614 PolarHBondContact OG1-O 3Å |
| 613 | P | 88.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -69.2 | -19.6 | 172.3 | 27.4 | -35.8 | 0 | 0 | 0 | 113.8 | V562 | V562-P613 HydrophobicContact CG2-CB 4.15Å; V562-P613 WeakPolarHBondContact CG2-O 3.39Å; V562-P613 PolarHBondContact N-O 2.86Å; V562-P613 WeakPolarHBondContact O-CB 3.48Å |
| 614 | D | 90.6 | Very high | 85.8 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.6 | -179.1 | -58 | -61.7 | 0 | 0 | 0 | 111.4 | I560 H561 G588 T612 | I560-D614 WeakPolarHBondContact O-CA 3.36Å; H561-D614 IonicContact CE1-OD1 3.62Å; H561-D614 IonicContact CG-OD1 3.5Å; H561-D614 IonicContact ND1-OD1 3.65Å; H561-D614 PolarHBondContact ND1-OD1 3.05Å; G588-D614 PolarHBondContact N-O 2.93Å; T612-D614 PolarHBondContact O-N 2.68Å; T612-D614 PolarHBondContact OG1-O 3Å |
| 615 | L | 92.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 123.1 | 173.3 | -168.4 | 155.1 | 0 | 0 | 0 | 110.1 | I560 V568 L570 T586 L596 V617 | I560-L615 WeakPolarHBondContact CA-O 2.99Å; I560-L615 WeakPolarHBondContact CB-O 3.31Å; I560-L615 HydrophobicContact CD1-CD2 4.17Å; I560-L615 PolarHBondContact N-O 2.98Å; I560-L615 PolarHBondContact O-N 3.31Å; V568-L615 HydrophobicContact CB-CB 4.23Å; V568-L615 HydrophobicContact CB-CD1 4.23Å; V568-L615 HydrophobicContact CG1-CD1 4.44Å; V568-L615 HydrophobicContact CG2-CB 3.99Å; L570-L615 HydrophobicContact CD1-CD1 3.79Å; L570-L615 HydrophobicContact CD1-CD2 3.85Å; L570-L615 HydrophobicContact CD2-CD2 4.45Å; L570-L615 HydrophobicContact CG-CD1 4.1Å; T586-L615 CarbonylContact O-C 3.55Å; T586-L615 WeakPolarHBondContact O-CA 3.44Å; L596-L615 HydrophobicContact CD1-CD1 3.97Å; L615-V617 HydrophobicContact CD2-CG2 3.61Å |
| 616 | T | 93.5 | Very high | 82.9 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.6 | 172.8 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | S557 W558 R559 T586 T618 | S557-T616 WeakPolarHBondContact OG-CG2 3.48Å; W558-T616 WeakPolarHBondContact O-CA 3.41Å; R559-T616 HydrophobicContact CG-CG2 4.1Å; T586-T616 PolarHBondContact N-O 3.22Å; T586-T616 PolarHBondContact O-N 2.97Å; T586-T616 PolarHBondContact OG1-O 3.37Å; T616-T618 HydrophobicContact CG2-CG2 3.96Å |
| 617 | V | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.9 | 169.5 | -172.7 | 0 | 0 | 0 | 0 | 107.6 | I541 S557 W558 I560 L583 T584 F585 L615 I636 | I541-V617 HydrophobicContact CD1-CG2 4.13Å; S557-V617 WeakPolarHBondContact CA-O 3.4Å; W558-V617 HydrophobicContact CE3-CB 4.4Å; W558-V617 HydrophobicContact CE3-CG1 4.4Å; W558-V617 PolarHBondContact N-O 2.77Å; W558-V617 PolarHBondContact O-N 2.85Å; I560-V617 HydrophobicContact CD1-CG2 4.34Å; L583-V617 HydrophobicContact CD1-CG1 3.75Å; T584-V617 WeakPolarHBondContact O-CA 3.4Å; F585-V617 HydrophobicContact CD1-CG1 4.1Å; F585-V617 HydrophobicContact CD1-CG2 3.93Å; F585-V617 HydrophobicContact CE1-CG1 3.96Å; F585-V617 HydrophobicContact CE1-CG2 4.15Å; L615-V617 HydrophobicContact CD2-CG2 3.61Å; V617-I636 HydrophobicContact CG1-CD1 4.31Å |
| 618 | T | 93.8 | Very high | 79.1 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 16% | 0.16 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.9 | 172.1 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | C556 L583 T584 T616 H620 | C556-T618 CarbonylContact O-C 3.53Å; C556-T618 VanDerWaalsContact O-CA 3.25Å; C556-T618 WeakPolarHBondContact O-CA 3.48Å; L583-T618 CarbonylContact C-O 3.58Å; L583-T618 WeakPolarHBondContact CA-O 3.43Å; T584-T618 PolarHBondContact N-O 2.77Å; T584-T618 PolarHBondContact O-N 2.8Å; T616-T618 HydrophobicContact CG2-CG2 3.96Å; T618-H620 PolarHBondContact OG1-NE2 3.37Å |
| 619 | F | 93.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.3 | 173.6 | 175.2 | -112.3 | 0 | 0 | 0 | 109.1 | P544 Y550 C556 W558 I577 D581 M582 L583 F634 | P544-F619 HydrophobicContact CG-CD1 4.48Å; Y550-F619 HydrophobicContact CD1-CZ 4.49Å; Y550-F619 AromaticContact CD2-CE1 3.97Å; Y550-F619 HydrophobicContact CD2-CE1 3.97Å; Y550-F619 AromaticContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CD2-CZ 3.78Å; Y550-F619 HydrophobicContact CE1-CZ 4.48Å; Y550-F619 HydrophobicContact CE2-CE1 4.42Å; Y550-F619 AromaticContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CE2-CZ 3.78Å; Y550-F619 HydrophobicContact CG-CE1 4.19Å; Y550-F619 HydrophobicContact CG-CZ 4.15Å; C556-F619 HydrophobicContact CB-CB 4.4Å; C556-F619 PolarHBondContact N-O 3.37Å; C556-F619 PolarHBondContact O-N 2.75Å; W558-F619 HydrophobicContact CH2-CB 4.28Å; W558-F619 HydrophobicContact CZ3-CB 3.84Å; I577-F619 HydrophobicContact CB-CE2 4.49Å; I577-F619 HydrophobicContact CD1-CE2 4.37Å; I577-F619 HydrophobicContact CG2-CE2 3.95Å; D581-F619 HydrophobicContact CB-CE2 4.08Å; D581-F619 HydrophobicContact CB-CZ 4.34Å; M582-F619 WeakPolarHBondContact O-CA 3.42Å; M582-F619 WeakPolarHBondContact O-CD2 3.34Å; L583-F619 HydrophobicContact CB-CD2 4.44Å; L583-F619 HydrophobicContact CD1-CB 3.95Å; L583-F619 HydrophobicContact CD1-CD2 4.32Å; F619-F634 HydrophobicContact CB-CE1 4.13Å; F619-F634 HydrophobicContact CB-CZ 4Å; F619-F634 HydrophobicContact CD1-CE1 4.11Å; F619-F634 HydrophobicContact CD1-CZ 4.42Å; F619-F634 HydrophobicContact CD2-CD1 4.48Å; F619-F634 AromaticContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CZ 4.34Å; F619-F634 HydrophobicContact CE1-CE1 4.44Å; F619-F634 AromaticContact CE2-CE1 3.99Å; F619-F634 HydrophobicContact CE2-CE1 3.99Å; F619-F634 AromaticContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CZ 4Å; F619-F634 HydrophobicContact CZ-CE1 4.38Å |
| 620 | H | 90.9 | Very high | 76.1 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.2 | 175.2 | -44.8 | -73.5 | 0 | 0 | 0 | 107.8 | E554 D555 M582 T618 | E554-H620 WeakPolarHBondContact O-CA 3.38Å; D555-H620 IonicContact OD1-CE1 3.74Å; D555-H620 PolarHBondContact OD1-CE1 2.9Å; D555-H620 IonicContact OD1-ND1 3.68Å; D555-H620 PolarHBondContact OD1-ND1 2.85Å; M582-H620 PolarHBondContact N-O 2.92Å; M582-H620 PolarHBondContact O-N 2.84Å; T618-H620 PolarHBondContact OG1-NE2 3.37Å |
| 621 | S | 88.3 | Confident | 74.8 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 33% | 0.334 | C | S | . | . | trans | -95.6 | 155.2 | 170.6 | 67 | 0 | 0 | 0 | 0 | 111.7 | G551 G553 E554 D581 | G551-S621 PolarHBondContact O-OG 3.45Å; G553-S621 PolarHBondContact N-OG 3.34Å; G553-S621 VanDerWaalsContact N-OG 3.15Å; E554-S621 PolarHBondContact N-OG 3.38Å; E554-S621 PolarHBondContact O-N 3.1Å; D581-S621 WeakPolarHBondContact OD1-CA 3.28Å; D581-S621 VanDerWaalsContact OD1-CB 3.27Å; D581-S621 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 622 | D | 81.3 | Confident | 74.4 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.214 | 34% | 0.339 | C | S | . | . | trans | -72 | 142.2 | 179.2 | 91.9 | 50.3 | 0 | 0 | 0 | 111.9 | G553 S580 D581 A624 G625 | G553-D622 PolarHBondContact N-O 2.97Å; S580-D622 WeakPolarHBondContact CB-OD2 3.5Å; S580-D622 PolarHBondContact OG-OD2 3.38Å; D581-D622 PolarHBondContact OD1-N 2.96Å; D622-A624 VanDerWaalsContact C-N 3.29Å; D622-A624 VanDerWaalsContact OD1-CA 3.3Å; D622-A624 WeakPolarHBondContact OD1-CA 3.27Å; D622-A624 WeakPolarHBondContact OD1-CB 3.16Å; D622-A624 PolarHBondContact OD1-N 2.85Å; D622-G625 PolarHBondContact OD1-N 2.95Å | ||
| 623 | P | 71.2 | Confident | 74.4 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 75% | 0.753 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -93.7 | 23.1 | 175.5 | 38.4 | -37.1 | 0 | 0 | 0 | 112.3 | ||
| 624 | A | 62.6 | Low | 74.6 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -120.6 | -15.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D622 L626 | D622-A624 VanDerWaalsContact C-N 3.29Å; D622-A624 VanDerWaalsContact OD1-CA 3.3Å; D622-A624 WeakPolarHBondContact OD1-CA 3.27Å; D622-A624 WeakPolarHBondContact OD1-CB 3.16Å; D622-A624 PolarHBondContact OD1-N 2.85Å; A624-L626 PolarHBondContact O-N 2.93Å |
| 625 | G | 53.2 | Low | 74.7 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 27% | 0.268 | 32% | 0.321 | S | S | . | . | trans | 56.3 | 46.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D622 V627 | D622-G625 PolarHBondContact OD1-N 2.95Å; G625-V627 PolarHBondContact O-N 3.39Å | ||
| 626 | L | 48.5 | Very low | 74.8 | Confident | 152 Ų | 152 | 55.3 Ų | 55.3 | 80% | 0.796 | 32% | 0.32 | S | S | * | . | trans | -75.5 | 47.4 | -176.4 | -86.5 | 177.5 | 0 | 0 | 0 | 115.2 | A624 F628 | A624-L626 PolarHBondContact O-N 2.93Å; L626-F628 WeakPolarHBondContact O-CD2 3.42Å; L626-F628 PolarHBondContact O-N 2.56Å | ||
| 627 | V | 46.2 | Very low | 74.8 | Confident | 124 Ų | 124 | 56 Ų | 56 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 58.3 | -13.2 | 155.4 | -176.6 | 0 | 0 | 0 | 0 | 118.4 | G625 | G625-V627 PolarHBondContact O-N 3.39Š|
| 628 | F | 43.4 | Very low | 74.8 | Confident | 194 Ų | 194 | 56.6 Ų | 56.6 | 85% | 0.851 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -127.8 | 90.9 | -171.2 | -64.9 | -75.4 | 0 | 0 | 0 | 111 | L626 | L626-F628 WeakPolarHBondContact O-CD2 3.42Å; L626-F628 PolarHBondContact O-N 2.56Å |
| 629 | G | 50.3 | Low | 74.6 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | trans | 95.6 | 78.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 630 | K | 59.2 | Low | 74.5 | Confident | 84 Ų | 84 | 62 Ų | 62 | 37% | 0.365 | 35% | 0.35 | S | S | . | . | trans | -66.4 | 138.9 | 148.7 | -61.2 | -167.7 | 176.7 | -166 | 0 | 107.5 | W549 Y550 E552 | W549-K630 HydrophobicContact CB-CD 4.13Å; W549-K630 HydrophobicContact CD2-CB 4.45Å; W549-K630 HydrophobicContact CE3-CB 3.79Å; W549-K630 HydrophobicContact CZ3-CB 4.45Å; W549-K630 VanDerWaalsContact CZ3-O 3.24Å; W549-K630 WeakPolarHBondContact CZ3-O 3.4Å; Y550-K630 PolarHBondContact O-NZ 3.36Å; E552-K630 WeakPolarHBondContact OE1-CE 3.29Å; E552-K630 IonicContact OE1-NZ 2.64Å; E552-K630 PolarHBondContact OE1-NZ 2.82Å | ||
| 631 | G | 61.5 | Low | 74.1 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | trans | -74.1 | 154.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | W549 Y550 N576 G633 | W549-G631 VanDerWaalsContact CE3-O 3.22Å; W549-G631 WeakPolarHBondContact CZ3-O 3.41Å; Y550-G631 VanDerWaalsContact CE1-O 3.23Å; Y550-G631 WeakPolarHBondContact CE1-O 3.31Å; Y550-G631 PolarHBondContact OH-N 3.47Å; Y550-G631 VanDerWaalsContact OH-N 3.16Å; N576-G631 CarbonylContact O-C 3.55Å; N576-G631 WeakPolarHBondContact O-CA 3.47Å; G631-G633 PolarHBondContact O-N 3.22Å; G631-G633 VanDerWaalsContact O-N 3.07Å | ||
| 632 | E | 73.6 | Confident | 73.5 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | trans | -59.1 | -21.5 | -178.7 | -66.7 | 172 | 137.7 | 0 | 0 | 113.2 | W546 W549 N576 | W546-E632 VanDerWaalsContact CZ3-O 3.23Å; W546-E632 WeakPolarHBondContact CZ3-O 3.14Å; W549-E632 HydrophobicContact CH2-CG 4.19Å; W549-E632 HydrophobicContact CZ3-CB 4.48Å; W549-E632 HydrophobicContact CZ3-CG 4.2Å; N576-E632 HydrophobicContact CB-CB 4.25Å; N576-E632 WeakPolarHBondContact ND2-CG 3.38Å; N576-E632 PolarHBondContact ND2-OE2 3.5Å; N576-E632 PolarHBondContact O-N 3.15Å | ||
| 633 | G | 86.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.5 | -152.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S543 N576 G631 | S543-G633 WeakPolarHBondContact OG-CA 3.36Å; N576-G633 CarbonylContact C-O 3.45Å; N576-G633 PolarHBondContact N-O 3.43Å; N576-G633 PolarHBondContact O-N 2.96Å; G631-G633 PolarHBondContact O-N 3.22Å; G631-G633 VanDerWaalsContact O-N 3.07Å |
| 634 | F | 91.4 | Very high | 72.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.6 | 175.5 | 55.3 | -98.5 | 0 | 0 | 0 | 113 | I541 L542 S543 W558 L574 L575 I577 L583 F619 I636 | I541-F634 HydrophobicContact CG2-CE2 4.28Å; L542-F634 WeakPolarHBondContact CA-O 3.15Å; S543-F634 PolarHBondContact N-O 3.43Å; S543-F634 VanDerWaalsContact N-O 3.13Å; S543-F634 PolarHBondContact OG-N 3.38Å; W558-F634 HydrophobicContact CH2-CE2 4.2Å; W558-F634 AromaticContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CH2-CZ 3.79Å; W558-F634 HydrophobicContact CZ3-CE2 4.33Å; W558-F634 AromaticContact CZ3-CZ 3.97Å; W558-F634 HydrophobicContact CZ3-CZ 3.97Å; L574-F634 CarbonylContact O-C 3.57Å; L574-F634 VanDerWaalsContact O-CA 3.23Å; L574-F634 WeakPolarHBondContact O-CA 3.31Å; L574-F634 WeakPolarHBondContact O-CB 3.08Å; L575-F634 HydrophobicContact CD1-CB 3.85Å; L575-F634 HydrophobicContact CD1-CD1 4.49Å; I577-F634 HydrophobicContact CG2-CD1 3.95Å; L583-F634 HydrophobicContact CD1-CD1 4.48Å; L583-F634 HydrophobicContact CD1-CE1 4.09Å; L583-F634 HydrophobicContact CD1-CE2 4.35Å; L583-F634 HydrophobicContact CD1-CZ 4Å; L583-F634 HydrophobicContact CD2-CD1 4.48Å; L583-F634 HydrophobicContact CD2-CG 4.4Å; F619-F634 HydrophobicContact CB-CE1 4.13Å; F619-F634 HydrophobicContact CB-CZ 4Å; F619-F634 HydrophobicContact CD1-CE1 4.11Å; F619-F634 HydrophobicContact CD1-CZ 4.42Å; F619-F634 HydrophobicContact CD2-CD1 4.48Å; F619-F634 AromaticContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CE1 3.61Å; F619-F634 HydrophobicContact CD2-CZ 4.34Å; F619-F634 HydrophobicContact CE1-CE1 4.44Å; F619-F634 AromaticContact CE2-CE1 3.99Å; F619-F634 HydrophobicContact CE2-CE1 3.99Å; F619-F634 AromaticContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CE1 3.67Å; F619-F634 HydrophobicContact CG-CZ 4Å; F619-F634 HydrophobicContact CZ-CE1 4.38Å; F634-I636 HydrophobicContact CD2-CD1 3.54Å; F634-I636 HydrophobicContact CD2-CG1 4.03Å; F634-I636 HydrophobicContact CE2-CD1 3.93Å; F634-I636 HydrophobicContact CG-CD1 4.37Å |
| 635 | I | 92.6 | Very high | 72.4 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 115.8 | 174.2 | -54 | 172.9 | 0 | 0 | 0 | 107.4 | V540 L542 W546 Q573 L574 | V540-I635 HydrophobicContact CG1-CG2 4.08Å; L542-I635 HydrophobicContact CD2-CB 4.35Å; L542-I635 HydrophobicContact CD2-CG1 4.04Å; L542-I635 HydrophobicContact CD2-CG2 4.04Å; W546-I635 HydrophobicContact CH2-CD1 3.83Å; W546-I635 HydrophobicContact CH2-CG1 4Å; W546-I635 HydrophobicContact CZ2-CD1 3.58Å; W546-I635 HydrophobicContact CZ2-CG1 3.95Å; W546-I635 HydrophobicContact CZ3-CG1 4.31Å; Q573-I635 HydrophobicContact CB-CB 4.49Å; Q573-I635 HydrophobicContact CB-CG2 4.41Å; Q573-I635 PolarHBondContact N-O 2.93Å; L574-I635 HydrophobicContact CB-CB 4.11Å; L574-I635 HydrophobicContact CB-CD1 4.15Å; L574-I635 HydrophobicContact CB-CG1 4.04Å; L574-I635 HydrophobicContact CD2-CD1 4.25Å; L574-I635 HydrophobicContact CD2-CG1 4.32Å; L574-I635 PolarHBondContact N-O 2.89Å; L574-I635 PolarHBondContact O-N 2.77Å |
| 636 | I | 94.3 | Very high | 73.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 108.4 | -177.7 | -53 | 158.6 | 0 | 0 | 0 | 107.6 | I541 L570 V572 L583 F585 V617 F634 | I541-I636 HydrophobicContact CB-CB 4.32Å; I541-I636 PolarHBondContact N-O 3.43Å; I541-I636 PolarHBondContact O-N 3.45Å; L570-I636 HydrophobicContact CB-CG2 4.3Å; L570-I636 HydrophobicContact CD2-CG2 4.14Å; V572-I636 HydrophobicContact CG1-CG1 4.45Å; V572-I636 HydrophobicContact CG2-CG1 4.35Å; V572-I636 HydrophobicContact CG2-CG2 4.28Å; L583-I636 HydrophobicContact CD2-CD1 4.01Å; F585-I636 HydrophobicContact CE1-CD1 4.01Å; F585-I636 HydrophobicContact CE1-CG2 4.48Å; F585-I636 HydrophobicContact CZ-CD1 4.04Å; V617-I636 HydrophobicContact CG1-CD1 4.31Å; F634-I636 HydrophobicContact CD2-CD1 3.54Å; F634-I636 HydrophobicContact CD2-CG1 4.03Å; F634-I636 HydrophobicContact CE2-CD1 3.93Å; F634-I636 HydrophobicContact CG-CD1 4.37Å |
| 637 | N | 94.3 | Very high | 74.3 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.3 | 170 | -179.6 | 33.7 | 0 | 0 | 0 | 108.6 | G539 D571 | G539-N637 PolarHBondContact O-OD1 2.6Å; G539-N637 VanDerWaalsContact O-OD1 3.13Å; D571-N637 HydrophobicContact CB-CB 4.29Å; D571-N637 PolarHBondContact N-O 2.97Å; D571-N637 PolarHBondContact O-N 3.18Å |
| 638 | Y | 94.2 | Very high | 75.7 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.5 | 172.7 | 78.1 | -91.5 | 0 | 0 | 0 | 110 | L534 G538 G539 I541 I560 V568 L569 | L534-Y638 HydrophobicContact CB-CE1 4.37Å; L534-Y638 HydrophobicContact CD1-CE1 3.99Å; G538-Y638 CarbonylContact C-O 3.52Å; G538-Y638 WeakPolarHBondContact CA-O 3.16Å; G539-Y638 VanDerWaalsContact C-CD1 3.49Å; G539-Y638 VanDerWaalsContact C-CE1 3.46Å; G539-Y638 VanDerWaalsContact CA-CE1 3.44Å; G539-Y638 PolarHBondContact N-O 2.86Å; G539-Y638 WeakPolarHBondContact O-CD1 3.43Å; G539-Y638 PolarHBondContact O-N 3.29Å; I541-Y638 HydrophobicContact CD1-CD1 4.39Å; I541-Y638 HydrophobicContact CG1-CD1 4.23Å; I560-Y638 HydrophobicContact CD1-CD1 4.21Å; I560-Y638 HydrophobicContact CD1-CD2 4.41Å; I560-Y638 HydrophobicContact CD1-CG 3.97Å; I560-Y638 HydrophobicContact CG2-CD2 3.61Å; I560-Y638 HydrophobicContact CG2-CE2 3.66Å; I560-Y638 HydrophobicContact CG2-CG 4.22Å; V568-Y638 HydrophobicContact CG1-CD2 4.47Å; L569-Y638 WeakPolarHBondContact O-CA 3.01Å |
| 639 | I | 90.4 | Very high | 77.2 | Confident | 71 Ų | 71 | 51 Ų | 51 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.9 | 173.7 | 63.8 | 175.2 | 0 | 0 | 0 | 110.6 | L569 V641 | L569-I639 HydrophobicContact CB-CG1 4Å; L569-I639 HydrophobicContact CD2-CD1 4.02Å; L569-I639 HydrophobicContact CD2-CG1 4.16Å; L569-I639 PolarHBondContact N-O 2.84Å; L569-I639 PolarHBondContact O-N 2.82Å; I639-V641 HydrophobicContact CD1-CG2 4.25Å; I639-V641 HydrophobicContact CG1-CG2 4.04Å |
| 640 | E | 90.4 | Very high | 78.7 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.9 | 165.7 | 71.5 | 161.3 | -134 | 0 | 0 | 109.9 | P537 V562 K566 | P537-E640 HydrophobicContact CB-CG 3.82Å; P537-E640 WeakPolarHBondContact O-CG 3.23Å; P537-E640 PolarHBondContact O-N 3.01Å; V562-E640 HydrophobicContact CB-CB 4.17Å; V562-E640 HydrophobicContact CG1-CB 3.88Å; K566-E640 HydrophobicContact CB-CB 4.42Å; K566-E640 IonicContact NZ-OE1 2.7Å; K566-E640 PolarHBondContact NZ-OE1 3.32Å; K566-E640 IonicContact NZ-OE2 2.73Å |
| 641 | V | 83.9 | Confident | 79.5 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 147.9 | 169.9 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | K566 R567 L569 I639 R643 | K566-V641 WeakPolarHBondContact CA-O 3.41Å; R567-V641 HydrophobicContact CG-CB 4.44Å; R567-V641 PolarHBondContact N-O 2.87Å; R567-V641 PolarHBondContact O-N 2.84Å; L569-V641 HydrophobicContact CB-CG2 3.47Å; L569-V641 VanDerWaalsContact CB-CG2 3.47Å; L569-V641 HydrophobicContact CD2-CG2 4.16Å; L569-V641 HydrophobicContact CG-CG2 4.41Å; I639-V641 HydrophobicContact CD1-CG2 4.25Å; I639-V641 HydrophobicContact CG1-CG2 4.04Å; V641-R643 PolarHBondContact O-N 3.48Å |
| 642 | S | 75.7 | Confident | 80.5 | Confident | 79 Ų | 79 | 57 Ų | 57 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 138.8 | 168.5 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | R567 N644 | R567-S642 PolarHBondContact NE-O 2.03Å; R567-S642 VanDerWaalsContact NE-O 3.09Å; S642-N644 PolarHBondContact O-N 3Å |
| 643 | R | 67.9 | Low | 81 | Confident | 118 Ų | 118 | 52.8 Ų | 52.8 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | trans | -61.4 | 108.2 | 171.1 | -167.8 | 175.6 | -165.8 | -109.2 | 12.1 | 107.7 | D565 V641 D645 | D565-R643 WeakPolarHBondContact O-CB 3.24Å; D565-R643 PolarHBondContact O-N 2.83Å; V641-R643 PolarHBondContact O-N 3.48Å; R643-D645 IonicContact CZ-OD2 3.54Å; R643-D645 IonicContact NH1-OD1 2.85Å; R643-D645 PolarHBondContact NH1-OD1 2.83Å; R643-D645 IonicContact NH1-OD2 3.87Å; R643-D645 PolarHBondContact NH1-OD2 3.23Å; R643-D645 PolarHBondContact O-N 3.25Å | ||
| 644 | N | 62.8 | Low | 80.8 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | trans | -78.1 | 75.9 | -172.6 | -173.6 | 54.8 | 0 | 0 | 0 | 110.8 | S642 S646 L693 | S642-N644 PolarHBondContact O-N 3Å; N644-S646 PolarHBondContact ND2-O 2.61Å; N644-S646 VanDerWaalsContact ND2-O 3.13Å; N644-S646 PolarHBondContact O-N 3.27Å; N644-L693 WeakPolarHBondContact O-CD1 3.45Å | ||
| 645 | D | 61.1 | Low | 80.5 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | trans | -85 | 15.9 | 173.9 | -72.1 | -31.2 | 0 | 0 | 0 | 112.4 | R643 V666 R667 L693 | R643-D645 IonicContact CZ-OD2 3.54Å; R643-D645 IonicContact NH1-OD1 2.85Å; R643-D645 PolarHBondContact NH1-OD1 2.83Å; R643-D645 IonicContact NH1-OD2 3.87Å; R643-D645 PolarHBondContact NH1-OD2 3.23Å; R643-D645 PolarHBondContact O-N 3.25Å; D645-V666 VanDerWaalsContact O-CA 3.24Å; D645-V666 WeakPolarHBondContact O-CA 3.28Å; D645-R667 PolarHBondContact O-N 3.36Å; D645-R667 IonicContact OD1-CZ 3.67Å; D645-R667 IonicContact OD1-NH1 2.71Å; D645-R667 PolarHBondContact OD1-NH1 3.06Å; D645-R667 IonicContact OD1-NH2 3.71Å; D645-R667 PolarHBondContact OD1-NH2 3.42Å; D645-R667 IonicContact OD2-NH1 2.64Å; D645-L693 VanDerWaalsContact C-CD2 3.49Å; D645-L693 WeakPolarHBondContact O-CD2 3.3Å | ||
| 646 | S | 67.3 | Low | 80.2 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -105.2 | 134.5 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | N644 L665 | N644-S646 PolarHBondContact ND2-O 2.61Å; N644-S646 VanDerWaalsContact ND2-O 3.13Å; N644-S646 PolarHBondContact O-N 3.27Å; S646-L665 CarbonylContact C-O 3.59Å; S646-L665 WeakPolarHBondContact CA-O 3.29Å |
| 647 | C | 73.3 | Confident | 79.8 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.1 | 165.6 | -78 | 0 | 0 | 0 | 0 | 111.2 | L665 C689 L693 W695 | C647-L665 PolarHBondContact N-O 3.11Å; C647-C689 HydrophobicContact CB-CB 3.87Å; C647-C689 WeakPolarHBondContact CB-SG 3.46Å; C647-C689 WeakPolarHBondContact SG-CA 3.46Å; C647-C689 WeakPolarHBondContact SG-CB 3.31Å; C647-C689 CovalentContact SG-SG 2.03Å; C647-C689 PolarHBondContact SG-SG 3.43Å; C647-L693 PolarHBondContact SG-O 3.04Å; C647-W695 HydrophobicContact CB-CD2 4.43Å; C647-W695 HydrophobicContact CB-CH2 4.43Å; C647-W695 HydrophobicContact CB-CZ2 3.67Å |
| 648 | P | 75.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 145.8 | 174 | 27.4 | -35.3 | 0 | 0 | 0 | 111.2 | W695 | P648-W695 PolarHBondContact O-NE1 2.79Š|
| 649 | D | 76.2 | Confident | 79.3 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 147.9 | 173.9 | -165.7 | 24.2 | 0 | 0 | 0 | 111.4 | K658 L665 | D649-K658 IonicContact OD1-NZ 3.96Å; D649-K658 PolarHBondContact OD1-NZ 2.84Å; D649-K658 IonicContact OD2-NZ 2.7Å; D649-K658 PolarHBondContact OD2-NZ 3Å; D649-L665 HydrophobicContact CB-CD1 3.65Å |
| 650 | L | 81 | Confident | 78.9 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 145.2 | 179.6 | -63.5 | 178.1 | 0 | 0 | 0 | 110.1 | K658 I671 Y673 L687 W695 P699 | L650-K658 PolarHBondContact O-NZ 2.94Å; L650-I671 HydrophobicContact CD1-CD1 4.23Å; L650-Y673 VanDerWaalsContact CB-OH 3.23Å; L650-Y673 WeakPolarHBondContact CB-OH 3.32Å; L650-L687 HydrophobicContact CD1-CD1 4.15Å; L650-W695 HydrophobicContact CD1-CD2 3.98Å; L650-W695 HydrophobicContact CD1-CG 3.94Å; L650-W695 HydrophobicContact CD2-CG 4.38Å; L650-W695 HydrophobicContact CG-CD2 4.5Å; L650-W695 HydrophobicContact CG-CG 4.36Å; L650-P699 HydrophobicContact CD1-CG 4.33Å; L650-P699 HydrophobicContact CD2-CG 4.19Å |
| 651 | P | 75.9 | Confident | 78.5 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 159.8 | 178.6 | 26.7 | -35.1 | 0 | 0 | 0 | 112.5 | Y673 | P651-Y673 PolarHBondContact O-OH 2.81Š|
| 652 | E | 81.6 | Confident | 77.9 | Confident | 159 Ų | 159 | 73.2 Ų | 73.2 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 154 | 164.9 | -60.9 | -173.1 | 158.9 | 0 | 0 | 110.2 | ||
| 653 | I | 85.2 | Confident | 77.6 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | trans | -108.9 | 143 | -175 | 61.6 | 171.4 | 0 | 0 | 0 | 110.8 | G656 Y673 P700 C702 | I653-G656 PolarHBondContact O-N 2.92Å; I653-G656 VanDerWaalsContact O-O 3.09Å; I653-Y673 HydrophobicContact CD1-CD1 3.59Å; I653-Y673 HydrophobicContact CD1-CE1 4.39Å; I653-Y673 HydrophobicContact CD1-CG 4.28Å; I653-Y673 HydrophobicContact CG1-CD1 3.88Å; I653-Y673 HydrophobicContact CG1-CE1 4.29Å; I653-Y673 HydrophobicContact CG2-CD1 4.01Å; I653-Y673 HydrophobicContact CG2-CE1 3.73Å; I653-P700 WeakPolarHBondContact CG2-O 3.18Å; I653-C702 VanDerWaalsContact CD1-SG 3.58Å | ||
| 654 | Q | 82 | Confident | 77.4 | Confident | 162 Ų | 162 | 73.9 Ų | 73.9 | 76% | 0.757 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 132.1 | -179.6 | -66.6 | -65.7 | -23.6 | 0 | 0 | 110.9 | G656 | Q654-G656 VanDerWaalsContact C-N 3.34Š|
| 655 | N | 84.1 | Confident | 78 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 35% | 0.348 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 39.8 | -174.5 | -39.1 | -83.3 | 0 | 0 | 0 | 113.2 | D676 Y679 C702 | N655-D676 VanDerWaalsContact CA-OD2 3.27Å; N655-D676 WeakPolarHBondContact CA-OD2 3.43Å; N655-D676 PolarHBondContact O-N 2.77Å; N655-Y679 HydrophobicContact CB-CD1 3.78Å; N655-Y679 HydrophobicContact CB-CD2 3.95Å; N655-Y679 HydrophobicContact CB-CE1 3.68Å; N655-Y679 HydrophobicContact CB-CE2 3.88Å; N655-Y679 HydrophobicContact CB-CG 3.94Å; N655-Y679 PolarHBondContact OD1-OH 3.29Å; N655-C702 PolarHBondContact O-SG 3.15Å; N655-C702 VanDerWaalsContact O-SG 3.42Å |
| 656 | G | 86.1 | Confident | 78.9 | Confident | 16 Ų | 16 | 72 Ų | 72 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -177.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I653 Q654 Q674 D676 | I653-G656 PolarHBondContact O-N 2.92Å; I653-G656 VanDerWaalsContact O-O 3.09Å; Q654-G656 VanDerWaalsContact C-N 3.34Å; G656-Q674 CarbonylContact C-O 3.56Å; G656-Q674 WeakPolarHBondContact CA-O 3.44Å; G656-D676 PolarHBondContact N-OD2 2.8Å |
| 657 | W | 87.1 | Confident | 79.2 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 47% | 0.47 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 158.8 | -175.5 | 63.2 | -73.3 | 0 | 0 | 0 | 112.3 | T659 Y673 Q674 | W657-T659 WeakPolarHBondContact CH2-OG1 3.48Å; W657-T659 WeakPolarHBondContact CZ3-OG1 3.01Å; W657-Y673 WeakPolarHBondContact O-CA 3.36Å; W657-Q674 HydrophobicContact CZ2-CB 4.41Å; W657-Q674 PolarHBondContact N-O 2.81Å; W657-Q674 PolarHBondContact O-N 3.46Å |
| 658 | K | 88.7 | Confident | 79.3 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 19% | 0.191 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.6 | 178.3 | 72.7 | 177.5 | -178.4 | 176.4 | 0 | 111.6 | D649 L650 I671 Y673 | D649-K658 IonicContact OD1-NZ 3.96Å; D649-K658 PolarHBondContact OD1-NZ 2.84Å; D649-K658 IonicContact OD2-NZ 2.7Å; D649-K658 PolarHBondContact OD2-NZ 3Å; L650-K658 PolarHBondContact O-NZ 2.94Å; K658-I671 HydrophobicContact CB-CG2 3.91Å; K658-Y673 HydrophobicContact CB-CD1 3.83Å; K658-Y673 HydrophobicContact CB-CE1 3.62Å; K658-Y673 HydrophobicContact CB-CG 4.49Å |
| 659 | T | 88.5 | Confident | 79.6 | Confident | 57 Ų | 57 | 73.2 Ų | 73.2 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.6 | 167.6 | -49.8 | 0 | 0 | 0 | 0 | 109.5 | W657 I671 T672 | W657-T659 WeakPolarHBondContact CH2-OG1 3.48Å; W657-T659 WeakPolarHBondContact CZ3-OG1 3.01Å; T659-I671 CarbonylContact O-C 3.49Å; T659-I671 WeakPolarHBondContact O-CA 3.15Å; T659-T672 PolarHBondContact N-O 2.81Å; T659-T672 PolarHBondContact O-N 2.03Å |
| 660 | T | 83.5 | Confident | 80.2 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.8 | 169.5 | 69 | 0 | 0 | 0 | 0 | 110.8 | H662 L665 R670 I671 | T660-H662 WeakPolarHBondContact CB-O 3.02Å; T660-H662 PolarHBondContact OG1-O 3.44Å; T660-L665 HydrophobicContact CG2-CD2 4.06Å; T660-R670 CarbonylContact C-O 3.59Å; T660-I671 HydrophobicContact CG2-CG1 4.3Å |
| 661 | S | 80.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -83.6 | -14.3 | 175 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | R670 | S661-R670 PolarHBondContact N-O 2.92Å; S661-R670 WeakPolarHBondContact OG-CB 3.46Å; S661-R670 PolarHBondContact OG-N 2.64Å; S661-R670 PolarHBondContact OG-O 2.86Å |
| 662 | H | 72.1 | Confident | 81.2 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -140.2 | 155.4 | -178.3 | -66.4 | 74 | 0 | 0 | 0 | 109.5 | T660 A664 A669 | T660-H662 WeakPolarHBondContact CB-O 3.02Å; T660-H662 PolarHBondContact OG1-O 3.44Å; H662-A664 WeakPolarHBondContact CB-O 3.44Å; H662-A669 HydrophobicContact CB-CB 4.39Å |
| 663 | V | 68.7 | Low | 81.7 | Confident | 160 Ų | 160 | 63.4 Ų | 63.4 | 97% | 0.97 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -73.3 | -30.9 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 664 | A | 64.1 | Low | 82 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -108.2 | 141.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | H662 V666 | H662-A664 WeakPolarHBondContact CB-O 3.44Å; A664-V666 HydrophobicContact CB-CG1 4.05Å; A664-V666 PolarHBondContact O-N 3.35Å |
| 665 | L | 76.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -81.8 | 44.1 | -174 | -62.2 | 176.7 | 0 | 0 | 0 | 113.1 | S646 C647 D649 T660 I671 W695 | S646-L665 CarbonylContact C-O 3.59Å; S646-L665 WeakPolarHBondContact CA-O 3.29Å; C647-L665 PolarHBondContact N-O 3.11Å; D649-L665 HydrophobicContact CB-CD1 3.65Å; T660-L665 HydrophobicContact CG2-CD2 4.06Å; L665-I671 HydrophobicContact CD2-CD1 4.19Å; L665-I671 HydrophobicContact CD2-CG1 4.45Å; L665-W695 HydrophobicContact CD2-CH2 4.39Å; L665-W695 HydrophobicContact CD2-CZ2 4.41Å | ||
| 666 | V | 78.3 | Confident | 82.6 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 167.8 | -173.2 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | D645 A664 G668 A669 C689 | D645-V666 VanDerWaalsContact O-CA 3.24Å; D645-V666 WeakPolarHBondContact O-CA 3.28Å; A664-V666 HydrophobicContact CB-CG1 4.05Å; A664-V666 PolarHBondContact O-N 3.35Å; V666-G668 PolarHBondContact O-N 3.09Å; V666-A669 WeakPolarHBondContact O-CA 3.29Å; V666-A669 WeakPolarHBondContact O-CB 3.45Å; V666-A669 PolarHBondContact O-N 2.83Å; V666-C689 WeakPolarHBondContact O-CB 3.42Å |
| 667 | R | 74.2 | Confident | 82.5 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | 129.9 | 174 | -65.4 | -171.1 | -171.1 | 84.1 | 13.1 | 112.1 | D645 A669 L691 L693 | D645-R667 PolarHBondContact O-N 3.36Å; D645-R667 IonicContact OD1-CZ 3.67Å; D645-R667 IonicContact OD1-NH1 2.71Å; D645-R667 PolarHBondContact OD1-NH1 3.06Å; D645-R667 IonicContact OD1-NH2 3.71Å; D645-R667 PolarHBondContact OD1-NH2 3.42Å; D645-R667 IonicContact OD2-NH1 2.64Å; R667-A669 VanDerWaalsContact C-N 3.25Å; R667-A669 PolarHBondContact O-N 3.04Å; R667-L691 PolarHBondContact NE-O 2.94Å; R667-L693 HydrophobicContact CG-CD2 3.64Å |
| 668 | G | 74.9 | Confident | 82 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -7.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V666 C689 | V666-G668 PolarHBondContact O-N 3.09Å; G668-C689 PolarHBondContact N-O 3.4Å |
| 669 | A | 82 | Confident | 81.9 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | trans | -59.4 | 150.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | H662 V666 R667 T688 C689 | H662-A669 HydrophobicContact CB-CB 4.39Å; V666-A669 WeakPolarHBondContact O-CA 3.29Å; V666-A669 WeakPolarHBondContact O-CB 3.45Å; V666-A669 PolarHBondContact O-N 2.83Å; R667-A669 VanDerWaalsContact C-N 3.25Å; R667-A669 PolarHBondContact O-N 3.04Å; A669-T688 WeakPolarHBondContact O-CA 3.34Å; A669-C689 PolarHBondContact O-N 2.88Å | ||
| 670 | R | 88.6 | Confident | 81.8 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 48% | 0.475 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134 | -172.7 | -175.7 | -177.1 | -67.6 | -156.1 | 1.8 | 109.4 | T660 S661 T686 L687 T688 | T660-R670 CarbonylContact C-O 3.59Å; S661-R670 PolarHBondContact N-O 2.92Å; S661-R670 WeakPolarHBondContact OG-CB 3.46Å; S661-R670 PolarHBondContact OG-N 2.64Å; S661-R670 PolarHBondContact OG-O 2.86Å; R670-T686 HydrophobicContact CG-CG2 3.6Å; R670-L687 CarbonylContact C-O 3.59Å; R670-L687 VanDerWaalsContact CA-O 3.27Å; R670-L687 WeakPolarHBondContact CA-O 3.09Å; R670-L687 WeakPolarHBondContact CG-O 3.07Å; R670-T688 HydrophobicContact CB-CG2 4.39Å; R670-T688 HydrophobicContact CG-CG2 4.18Å |
| 671 | I | 88.8 | Confident | 82 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131 | 167.7 | -56.6 | -179.5 | 0 | 0 | 0 | 107.2 | L650 K658 T659 T660 L665 Y673 L687 W695 | L650-I671 HydrophobicContact CD1-CD1 4.23Å; K658-I671 HydrophobicContact CB-CG2 3.91Å; T659-I671 CarbonylContact O-C 3.49Å; T659-I671 WeakPolarHBondContact O-CA 3.15Å; T660-I671 HydrophobicContact CG2-CG1 4.3Å; L665-I671 HydrophobicContact CD2-CD1 4.19Å; L665-I671 HydrophobicContact CD2-CG1 4.45Å; I671-Y673 HydrophobicContact CB-CE2 4.31Å; I671-Y673 HydrophobicContact CG2-CD2 3.89Å; I671-Y673 HydrophobicContact CG2-CE2 3.46Å; I671-Y673 VanDerWaalsContact CG2-CE2 3.46Å; I671-L687 HydrophobicContact CB-CB 4.48Å; I671-L687 PolarHBondContact N-O 2.84Å; I671-L687 PolarHBondContact O-N 3.14Å; I671-W695 HydrophobicContact CD1-CH2 3.48Å; I671-W695 VanDerWaalsContact CD1-CH2 3.48Å; I671-W695 HydrophobicContact CD1-CZ2 3.58Å; I671-W695 HydrophobicContact CD1-CZ3 4.1Å; I671-W695 HydrophobicContact CG1-CH2 3.59Å; I671-W695 HydrophobicContact CG1-CZ2 4.23Å; I671-W695 HydrophobicContact CG1-CZ3 3.94Å |
| 672 | T | 90.8 | Very high | 82.4 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.4 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 108.7 | T659 E685 T686 | T659-T672 PolarHBondContact N-O 2.81Å; T659-T672 PolarHBondContact O-N 2.03Å; T672-E685 CarbonylContact C-O 3.59Å; T672-E685 VanDerWaalsContact CA-O 3.31Å; T672-E685 WeakPolarHBondContact CA-O 3.27Å; T672-T686 PolarHBondContact OG1-OG1 3.29Å |
| 673 | Y | 91.4 | Very high | 83 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 145.3 | -180 | -74.8 | -89.2 | 0 | 0 | 0 | 110.6 | L650 P651 I653 W657 K658 I671 L681 E685 L687 P700 | L650-Y673 VanDerWaalsContact CB-OH 3.23Å; L650-Y673 WeakPolarHBondContact CB-OH 3.32Å; P651-Y673 PolarHBondContact O-OH 2.81Å; I653-Y673 HydrophobicContact CD1-CD1 3.59Å; I653-Y673 HydrophobicContact CD1-CE1 4.39Å; I653-Y673 HydrophobicContact CD1-CG 4.28Å; I653-Y673 HydrophobicContact CG1-CD1 3.88Å; I653-Y673 HydrophobicContact CG1-CE1 4.29Å; I653-Y673 HydrophobicContact CG2-CD1 4.01Å; I653-Y673 HydrophobicContact CG2-CE1 3.73Å; W657-Y673 WeakPolarHBondContact O-CA 3.36Å; K658-Y673 HydrophobicContact CB-CD1 3.83Å; K658-Y673 HydrophobicContact CB-CE1 3.62Å; K658-Y673 HydrophobicContact CB-CG 4.49Å; I671-Y673 HydrophobicContact CB-CE2 4.31Å; I671-Y673 HydrophobicContact CG2-CD2 3.89Å; I671-Y673 HydrophobicContact CG2-CE2 3.46Å; I671-Y673 VanDerWaalsContact CG2-CE2 3.46Å; Y673-L681 WeakPolarHBondContact O-CD1 3.31Å; Y673-E685 PolarHBondContact N-O 2.79Å; Y673-L687 HydrophobicContact CD2-CD1 3.87Å; Y673-L687 HydrophobicContact CE2-CD1 3.54Å; Y673-P700 HydrophobicContact CD1-CG 4.44Å; Y673-P700 HydrophobicContact CD2-CG 3.94Å; Y673-P700 HydrophobicContact CG-CG 3.77Å |
| 674 | Q | 90.4 | Very high | 83.9 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 43% | 0.425 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144 | 176.2 | -63.8 | -178.7 | 27.5 | 0 | 0 | 109.6 | G656 W657 | G656-Q674 CarbonylContact C-O 3.56Å; G656-Q674 WeakPolarHBondContact CA-O 3.44Å; W657-Q674 HydrophobicContact CZ2-CB 4.41Å; W657-Q674 PolarHBondContact N-O 2.81Å; W657-Q674 PolarHBondContact O-N 3.46Å |
| 675 | C | 90.7 | Very high | 85.1 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 156.4 | 178.8 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | C702 | C675-C702 WeakPolarHBondContact CA-SG 3.35Å; C675-C702 HydrophobicContact CB-CB 3.78Å; C675-C702 WeakPolarHBondContact CB-SG 3.43Å; C675-C702 VanDerWaalsContact SG-CA 3.51Å; C675-C702 WeakPolarHBondContact SG-CB 3.43Å; C675-C702 CovalentContact SG-SG 2.03Å; C675-C702 PolarHBondContact SG-SG 2.99Å |
| 676 | D | 88.6 | Confident | 85.7 | Confident | 71 Ų | 71 | 61 Ų | 61 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | trans | -70.9 | 153.4 | 178.7 | -73.5 | -39.1 | 0 | 0 | 0 | 112.3 | N655 G656 G678 Y679 | N655-D676 VanDerWaalsContact CA-OD2 3.27Å; N655-D676 WeakPolarHBondContact CA-OD2 3.43Å; N655-D676 PolarHBondContact O-N 2.77Å; G656-D676 PolarHBondContact N-OD2 2.8Å; D676-G678 PolarHBondContact O-N 2.79Å; D676-Y679 HydrophobicContact CB-CD2 4.41Å; D676-Y679 PolarHBondContact O-N 2.79Å | ||
| 677 | P | 83.5 | Confident | 86.2 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 71% | 0.708 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 112.2 | -176.2 | -26 | 35.4 | 0 | 0 | 0 | 112.9 | G756 | P677-G756 WeakPolarHBondContact O-CA 3.18Š|
| 678 | G | 77.7 | Confident | 86.8 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 116.7 | -6.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D676 I705 | D676-G678 PolarHBondContact O-N 2.79Å; G678-I705 WeakPolarHBondContact O-CB 3.27Å; G678-I705 PolarHBondContact O-N 2.99Å |
| 679 | Y | 86.6 | Confident | 87.3 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 28% | 0.275 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 153.1 | 174.7 | -63.6 | -105.8 | 0 | 0 | 0 | 110.9 | N655 D676 C702 E703 K704 | N655-Y679 HydrophobicContact CB-CD1 3.78Å; N655-Y679 HydrophobicContact CB-CD2 3.95Å; N655-Y679 HydrophobicContact CB-CE1 3.68Å; N655-Y679 HydrophobicContact CB-CE2 3.88Å; N655-Y679 HydrophobicContact CB-CG 3.94Å; N655-Y679 PolarHBondContact OD1-OH 3.29Å; D676-Y679 HydrophobicContact CB-CD2 4.41Å; D676-Y679 PolarHBondContact O-N 2.79Å; Y679-C702 HydrophobicContact CD1-CB 4.34Å; Y679-E703 CarbonylContact C-O 3.18Å; Y679-E703 WeakPolarHBondContact CA-O 3.43Å; Y679-E703 WeakPolarHBondContact CB-O 3.28Å; Y679-K704 HydrophobicContact CD1-CB 4.1Å; Y679-K704 HydrophobicContact CE1-CB 3.9Å; Y679-K704 HydrophobicContact CE1-CG 4.43Å |
| 680 | D | 86 | Confident | 87 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 40% | 0.401 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152.7 | 175.8 | -156.2 | -5.8 | 0 | 0 | 0 | 110.6 | C702 E703 I705 | D680-C702 CarbonylContact O-C 3.52Å; D680-C702 WeakPolarHBondContact O-CA 3.29Å; D680-E703 PolarHBondContact N-O 2.96Å; D680-E703 PolarHBondContact O-N 2.81Å; D680-I705 HydrophobicContact CB-CD1 4.08Å; D680-I705 HydrophobicContact CB-CG1 3.84Å |
| 681 | L | 88.4 | Confident | 85.9 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.3 | -169.8 | -170 | 144.3 | 0 | 0 | 0 | 111.8 | Y673 E685 P700 | Y673-L681 WeakPolarHBondContact O-CD1 3.31Å; L681-E685 HydrophobicContact CD2-CB 4.2Å; L681-P700 HydrophobicContact CD1-CB 4.39Å; L681-P700 HydrophobicContact CD1-CG 4.18Å; L681-P700 HydrophobicContact CD2-CB 3.61Å; L681-P700 HydrophobicContact CD2-CG 4.1Å; L681-P700 HydrophobicContact CG-CB 3.93Å; L681-P700 HydrophobicContact CG-CG 4.27Å |
| 682 | V | 88.2 | Confident | 84.8 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 103.6 | 178.1 | -171 | 0 | 0 | 0 | 0 | 109.5 | P700 F701 E703 | V682-P700 VanDerWaalsContact O-CA 3.3Å; V682-P700 WeakPolarHBondContact O-CA 3.1Å; V682-P700 WeakPolarHBondContact O-CB 3.32Å; V682-F701 HydrophobicContact CB-CD1 4.32Å; V682-F701 HydrophobicContact CB-CD2 4.08Å; V682-F701 HydrophobicContact CB-CE1 3.97Å; V682-F701 HydrophobicContact CB-CE2 3.7Å; V682-F701 HydrophobicContact CB-CG 4.38Å; V682-F701 HydrophobicContact CB-CZ 3.64Å; V682-F701 HydrophobicContact CG1-CE1 3.79Å; V682-F701 HydrophobicContact CG1-CE2 4.04Å; V682-F701 HydrophobicContact CG1-CZ 3.49Å; V682-F701 VanDerWaalsContact CG1-CZ 3.49Å; V682-F701 HydrophobicContact CG2-CD2 4.35Å; V682-F701 HydrophobicContact CG2-CE2 3.84Å; V682-F701 HydrophobicContact CG2-CZ 4.16Å; V682-F701 PolarHBondContact N-O 3.12Å; V682-F701 PolarHBondContact O-N 3.01Å; V682-E703 HydrophobicContact CG2-CB 4.09Å; V682-E703 HydrophobicContact CG2-CG 3.7Å |
| 683 | G | 85.9 | Confident | 83.8 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 62% | 0.619 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 140.6 | -148.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 684 | R | 86.9 | Confident | 83.1 | Confident | 158 Ų | 158 | 66.4 Ų | 66.4 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | trans | -93.8 | 119.2 | 168.5 | -69.9 | -168.7 | -177.8 | -111 | 1.9 | 109.9 | T686 S697 P700 | R684-T686 PolarHBondContact O-N 3.1Å; R684-S697 WeakPolarHBondContact CD-OG 3.3Å; R684-P700 WeakPolarHBondContact O-CG 3.5Å | ||
| 685 | E | 88.1 | Confident | 82.8 | Confident | 122 Ų | 122 | 63.4 Ų | 63.4 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -53.8 | -34 | 168.7 | 47.6 | 133.5 | -104.5 | 0 | 0 | 113.4 | T672 Y673 L681 | T672-E685 CarbonylContact C-O 3.59Å; T672-E685 VanDerWaalsContact CA-O 3.31Å; T672-E685 WeakPolarHBondContact CA-O 3.27Å; Y673-E685 PolarHBondContact N-O 2.79Å; L681-E685 HydrophobicContact CD2-CB 4.2Å |
| 686 | T | 90.1 | Very high | 82.5 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.3 | -173.3 | -71.9 | 0 | 0 | 0 | 0 | 111.4 | R670 T672 R684 | R670-T686 HydrophobicContact CG-CG2 3.6Å; T672-T686 PolarHBondContact OG1-OG1 3.29Å; R684-T686 PolarHBondContact O-N 3.1Å |
| 687 | L | 88.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139 | 178.1 | -83.1 | 146.9 | 0 | 0 | 0 | 110.4 | L650 R670 I671 Y673 W695 S697 | L650-L687 HydrophobicContact CD1-CD1 4.15Å; R670-L687 CarbonylContact C-O 3.59Å; R670-L687 VanDerWaalsContact CA-O 3.27Å; R670-L687 WeakPolarHBondContact CA-O 3.09Å; R670-L687 WeakPolarHBondContact CG-O 3.07Å; I671-L687 HydrophobicContact CB-CB 4.48Å; I671-L687 PolarHBondContact N-O 2.84Å; I671-L687 PolarHBondContact O-N 3.14Å; Y673-L687 HydrophobicContact CD2-CD1 3.87Å; Y673-L687 HydrophobicContact CE2-CD1 3.54Å; L687-W695 HydrophobicContact CB-CE3 4.05Å; L687-W695 HydrophobicContact CD2-CB 4.15Å; L687-S697 WeakPolarHBondContact CD2-O 3.04Å; L687-S697 VanDerWaalsContact CD2-OG 3.31Å; L687-S697 WeakPolarHBondContact CD2-OG 3.41Å |
| 688 | T | 87.6 | Confident | 82.2 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.4 | -179.9 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | A669 R670 Q690 W695 S696 | A669-T688 WeakPolarHBondContact O-CA 3.34Å; R670-T688 HydrophobicContact CB-CG2 4.39Å; R670-T688 HydrophobicContact CG-CG2 4.18Å; T688-Q690 PolarHBondContact O-N 3.27Å; T688-W695 VanDerWaalsContact C-CE3 3.41Å; T688-S696 PolarHBondContact N-OG 2.92Å; T688-S696 PolarHBondContact O-N 3.18Å; T688-S696 VanDerWaalsContact O-N 3.13Å |
| 689 | C | 83.6 | Confident | 82.5 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 117.1 | 174 | -179 | 0 | 0 | 0 | 0 | 109.5 | C647 V666 G668 A669 W695 | C647-C689 HydrophobicContact CB-CB 3.87Å; C647-C689 WeakPolarHBondContact CB-SG 3.46Å; C647-C689 WeakPolarHBondContact SG-CA 3.46Å; C647-C689 WeakPolarHBondContact SG-CB 3.31Å; C647-C689 CovalentContact SG-SG 2.03Å; C647-C689 PolarHBondContact SG-SG 3.43Å; V666-C689 WeakPolarHBondContact O-CB 3.42Å; G668-C689 PolarHBondContact N-O 3.4Å; A669-C689 PolarHBondContact O-N 2.88Å; C689-W695 HydrophobicContact CB-CE3 4.33Å; C689-W695 HydrophobicContact CB-CH2 4Å; C689-W695 HydrophobicContact CB-CZ3 3.92Å; C689-W695 VanDerWaalsContact N-CZ3 3.27Å |
| 690 | Q | 76.3 | Confident | 82.6 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | trans | -85.6 | 177.1 | -174.2 | -71.8 | -164.2 | 71.6 | 0 | 0 | 112.6 | T688 D692 L693 S694 | T688-Q690 PolarHBondContact O-N 3.27Å; Q690-D692 VanDerWaalsContact C-N 3.3Å; Q690-D692 WeakPolarHBondContact CB-OD1 3.13Å; Q690-D692 PolarHBondContact O-N 3.13Å; Q690-L693 PolarHBondContact O-N 2.69Å; Q690-S694 WeakPolarHBondContact CB-O 3.36Å; Q690-S694 PolarHBondContact N-O 3Å | ||
| 691 | L | 65.7 | Low | 82.8 | Confident | 153 Ų | 153 | 66.4 Ų | 66.4 | 80% | 0.801 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -32.6 | -176.2 | -70.8 | 172.5 | 0 | 0 | 0 | 113.3 | R667 L693 | R667-L691 PolarHBondContact NE-O 2.94Å; L691-L693 PolarHBondContact O-N 2.98Å |
| 692 | D | 65.8 | Low | 82.9 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 57% | 0.572 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 0.4 | 175.1 | 66.2 | -20.6 | 0 | 0 | 0 | 113.9 | Q690 S694 | Q690-D692 VanDerWaalsContact C-N 3.3Å; Q690-D692 WeakPolarHBondContact CB-OD1 3.13Å; Q690-D692 PolarHBondContact O-N 3.13Å; D692-S694 VanDerWaalsContact C-N 3.28Å; D692-S694 PolarHBondContact O-N 2.83Å; D692-S694 PolarHBondContact OD1-N 2.82Å; D692-S694 PolarHBondContact OD1-OG 2.94Å; D692-S694 VanDerWaalsContact OD2-CB 3.27Å; D692-S694 WeakPolarHBondContact OD2-CB 3.35Å; D692-S694 PolarHBondContact OD2-OG 3.03Å |
| 693 | L | 69.6 | Low | 82.9 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 66 | 22.4 | -173.5 | -53 | 167.6 | 0 | 0 | 0 | 114.5 | N644 D645 C647 R667 Q690 L691 | N644-L693 WeakPolarHBondContact O-CD1 3.45Å; D645-L693 VanDerWaalsContact C-CD2 3.49Å; D645-L693 WeakPolarHBondContact O-CD2 3.3Å; C647-L693 PolarHBondContact SG-O 3.04Å; R667-L693 HydrophobicContact CG-CD2 3.64Å; Q690-L693 PolarHBondContact O-N 2.69Å; L691-L693 PolarHBondContact O-N 2.98Å |
| 694 | S | 77.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 68.7 Ų | 68.7 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | trans | -93.8 | 163.8 | 167.7 | 78.5 | 0 | 0 | 0 | 0 | 112.5 | Q690 D692 | Q690-S694 WeakPolarHBondContact CB-O 3.36Å; Q690-S694 PolarHBondContact N-O 3Å; D692-S694 VanDerWaalsContact C-N 3.28Å; D692-S694 PolarHBondContact O-N 2.83Å; D692-S694 PolarHBondContact OD1-N 2.82Å; D692-S694 PolarHBondContact OD1-OG 2.94Å; D692-S694 VanDerWaalsContact OD2-CB 3.27Å; D692-S694 WeakPolarHBondContact OD2-CB 3.35Å; D692-S694 PolarHBondContact OD2-OG 3.03Å | ||
| 695 | W | 83.3 | Confident | 82.6 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -89.4 | 144.6 | 169.6 | -72.2 | 107 | 0 | 0 | 0 | 111.4 | C647 P648 L650 L665 I671 L687 T688 C689 S697 | C647-W695 HydrophobicContact CB-CD2 4.43Å; C647-W695 HydrophobicContact CB-CH2 4.43Å; C647-W695 HydrophobicContact CB-CZ2 3.67Å; P648-W695 PolarHBondContact O-NE1 2.79Å; L650-W695 HydrophobicContact CD1-CD2 3.98Å; L650-W695 HydrophobicContact CD1-CG 3.94Å; L650-W695 HydrophobicContact CD2-CG 4.38Å; L650-W695 HydrophobicContact CG-CD2 4.5Å; L650-W695 HydrophobicContact CG-CG 4.36Å; L665-W695 HydrophobicContact CD2-CH2 4.39Å; L665-W695 HydrophobicContact CD2-CZ2 4.41Å; I671-W695 HydrophobicContact CD1-CH2 3.48Å; I671-W695 VanDerWaalsContact CD1-CH2 3.48Å; I671-W695 HydrophobicContact CD1-CZ2 3.58Å; I671-W695 HydrophobicContact CD1-CZ3 4.1Å; I671-W695 HydrophobicContact CG1-CH2 3.59Å; I671-W695 HydrophobicContact CG1-CZ2 4.23Å; I671-W695 HydrophobicContact CG1-CZ3 3.94Å; L687-W695 HydrophobicContact CB-CE3 4.05Å; L687-W695 HydrophobicContact CD2-CB 4.15Å; T688-W695 VanDerWaalsContact C-CE3 3.41Å; C689-W695 HydrophobicContact CB-CE3 4.33Å; C689-W695 HydrophobicContact CB-CH2 4Å; C689-W695 HydrophobicContact CB-CZ3 3.92Å; C689-W695 VanDerWaalsContact N-CZ3 3.27Å; W695-S697 PolarHBondContact O-N 2.89Å |
| 696 | S | 84.2 | Confident | 82.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -62 | -12.3 | -176.5 | 58.3 | 0 | 0 | 0 | 0 | 116.8 | T688 | T688-S696 PolarHBondContact N-OG 2.92Å; T688-S696 PolarHBondContact O-N 3.18Å; T688-S696 VanDerWaalsContact O-N 3.13Å |
| 697 | S | 83.4 | Confident | 82 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -165.2 | -175.5 | 168.5 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | R684 L687 W695 | R684-S697 WeakPolarHBondContact CD-OG 3.3Å; L687-S697 WeakPolarHBondContact CD2-O 3.04Å; L687-S697 VanDerWaalsContact CD2-OG 3.31Å; L687-S697 WeakPolarHBondContact CD2-OG 3.41Å; W695-S697 PolarHBondContact O-N 2.89Å |
| 698 | Q | 83.1 | Confident | 81.8 | Confident | 168 Ų | 168 | 64.4 Ų | 64.4 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 160.8 | 163.9 | -68.9 | 170.1 | -17.8 | 0 | 0 | 111.1 | ||
| 699 | P | 84.1 | Confident | 81.7 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 146.4 | 172.1 | -21.4 | 33 | 0 | 0 | 0 | 112.8 | L650 | L650-P699 HydrophobicContact CD1-CG 4.33Å; L650-P699 HydrophobicContact CD2-CG 4.19Å |
| 700 | P | 89.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 169.8 | 169.6 | 34.9 | -36.4 | 0 | 0 | 0 | 111.8 | I653 Y673 L681 V682 R684 | I653-P700 WeakPolarHBondContact CG2-O 3.18Å; Y673-P700 HydrophobicContact CD1-CG 4.44Å; Y673-P700 HydrophobicContact CD2-CG 3.94Å; Y673-P700 HydrophobicContact CG-CG 3.77Å; L681-P700 HydrophobicContact CD1-CB 4.39Å; L681-P700 HydrophobicContact CD1-CG 4.18Å; L681-P700 HydrophobicContact CD2-CB 3.61Å; L681-P700 HydrophobicContact CD2-CG 4.1Å; L681-P700 HydrophobicContact CG-CB 3.93Å; L681-P700 HydrophobicContact CG-CG 4.27Å; V682-P700 VanDerWaalsContact O-CA 3.3Å; V682-P700 WeakPolarHBondContact O-CA 3.1Å; V682-P700 WeakPolarHBondContact O-CB 3.32Å; R684-P700 WeakPolarHBondContact O-CG 3.5Å |
| 701 | F | 90 | Very high | 82.1 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 163.3 | 169 | 64.5 | -91.6 | 0 | 0 | 0 | 111.5 | V682 | V682-F701 HydrophobicContact CB-CD1 4.32Å; V682-F701 HydrophobicContact CB-CD2 4.08Å; V682-F701 HydrophobicContact CB-CE1 3.97Å; V682-F701 HydrophobicContact CB-CE2 3.7Å; V682-F701 HydrophobicContact CB-CG 4.38Å; V682-F701 HydrophobicContact CB-CZ 3.64Å; V682-F701 HydrophobicContact CG1-CE1 3.79Å; V682-F701 HydrophobicContact CG1-CE2 4.04Å; V682-F701 HydrophobicContact CG1-CZ 3.49Å; V682-F701 VanDerWaalsContact CG1-CZ 3.49Å; V682-F701 HydrophobicContact CG2-CD2 4.35Å; V682-F701 HydrophobicContact CG2-CE2 3.84Å; V682-F701 HydrophobicContact CG2-CZ 4.16Å; V682-F701 PolarHBondContact N-O 3.12Å; V682-F701 PolarHBondContact O-N 3.01Å |
| 702 | C | 90.5 | Very high | 82.9 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 10% | 0.101 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.1 | -177.5 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | I653 N655 C675 Y679 D680 | I653-C702 VanDerWaalsContact CD1-SG 3.58Å; N655-C702 PolarHBondContact O-SG 3.15Å; N655-C702 VanDerWaalsContact O-SG 3.42Å; C675-C702 WeakPolarHBondContact CA-SG 3.35Å; C675-C702 HydrophobicContact CB-CB 3.78Å; C675-C702 WeakPolarHBondContact CB-SG 3.43Å; C675-C702 VanDerWaalsContact SG-CA 3.51Å; C675-C702 WeakPolarHBondContact SG-CB 3.43Å; C675-C702 CovalentContact SG-SG 2.03Å; C675-C702 PolarHBondContact SG-SG 2.99Å; Y679-C702 HydrophobicContact CD1-CB 4.34Å; D680-C702 CarbonylContact O-C 3.52Å; D680-C702 WeakPolarHBondContact O-CA 3.29Å |
| 703 | E | 86.8 | Confident | 83.9 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 149.1 | 173.8 | 77 | 168.9 | -135.9 | 0 | 0 | 111.6 | Y679 D680 V682 | Y679-E703 CarbonylContact C-O 3.18Å; Y679-E703 WeakPolarHBondContact CA-O 3.43Å; Y679-E703 WeakPolarHBondContact CB-O 3.28Å; D680-E703 PolarHBondContact N-O 2.96Å; D680-E703 PolarHBondContact O-N 2.81Å; V682-E703 HydrophobicContact CG2-CB 4.09Å; V682-E703 HydrophobicContact CG2-CG 3.7Å |
| 704 | K | 83.3 | Confident | 84.7 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.4 | -179.1 | -174.2 | 174.1 | -179.7 | 174.7 | 0 | 110.5 | Y679 M706 E754 | Y679-K704 HydrophobicContact CD1-CB 4.1Å; Y679-K704 HydrophobicContact CE1-CB 3.9Å; Y679-K704 HydrophobicContact CE1-CG 4.43Å; K704-M706 HydrophobicContact CD-SD 4.13Å; K704-M706 HydrophobicContact CG-SD 4.15Å; K704-M706 WeakPolarHBondContact O-CG 3.4Å; K704-M706 PolarHBondContact O-N 3.42Å; K704-M706 VanDerWaalsContact O-N 3.12Å; K704-E754 IonicContact NZ-OE1 3.45Å; K704-E754 PolarHBondContact NZ-OE1 3.49Å |
| 705 | I | 84 | Confident | 85 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | trans | -72.1 | 108.7 | -179.8 | -61.8 | 166.3 | 0 | 0 | 0 | 109.5 | G678 D680 Y707 T757 P758 | G678-I705 WeakPolarHBondContact O-CB 3.27Å; G678-I705 PolarHBondContact O-N 2.99Å; D680-I705 HydrophobicContact CB-CD1 4.08Å; D680-I705 HydrophobicContact CB-CG1 3.84Å; I705-Y707 HydrophobicContact CG2-CD1 4.29Å; I705-Y707 HydrophobicContact CG2-CE1 4.16Å; I705-T757 HydrophobicContact CD1-CG2 3.87Å; I705-P758 HydrophobicContact CG2-CG 4.45Å; I705-P758 WeakPolarHBondContact O-CD 3.24Å; I705-P758 WeakPolarHBondContact O-CG 3.39Å | ||
| 706 | M | 80.9 | Confident | 85.1 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | trans | -104.3 | 10 | -177.3 | -66.9 | -59.4 | -64.5 | 0 | 0 | 114.2 | K704 L727 V728 | K704-M706 HydrophobicContact CD-SD 4.13Å; K704-M706 HydrophobicContact CG-SD 4.15Å; K704-M706 WeakPolarHBondContact O-CG 3.4Å; K704-M706 PolarHBondContact O-N 3.42Å; K704-M706 VanDerWaalsContact O-N 3.12Å; M706-L727 CarbonylContact O-C 3.47Å; M706-L727 WeakPolarHBondContact O-CA 3.49Å; M706-V728 PolarHBondContact O-N 3.18Å | ||
| 707 | Y | 84.6 | Confident | 85.3 | Confident | 96 Ų | 96 | 67.1 Ų | 67.1 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -127.3 | 155.1 | -179.7 | 60.6 | -89 | 0 | 0 | 0 | 112.4 | I705 L726 | I705-Y707 HydrophobicContact CG2-CD1 4.29Å; I705-Y707 HydrophobicContact CG2-CE1 4.16Å; Y707-L726 WeakPolarHBondContact CA-O 3.49Å |
| 708 | C | 84.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 146.4 | 168.6 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | L726 C750 W760 | C708-L726 PolarHBondContact N-O 3.26Å; C708-L726 WeakPolarHBondContact O-CB 3.42Å; C708-C750 HydrophobicContact CB-CB 3.8Å; C708-C750 WeakPolarHBondContact CB-SG 3.47Å; C708-C750 PolarHBondContact N-SG 2.78Å; C708-C750 WeakPolarHBondContact SG-CA 3.32Å; C708-C750 WeakPolarHBondContact SG-CB 3.4Å; C708-C750 CovalentContact SG-SG 2.03Å; C708-C750 PolarHBondContact SG-SG 3.17Å; C708-W760 HydrophobicContact CB-CD2 4.32Å; C708-W760 HydrophobicContact CB-CZ2 3.63Å |
| 709 | S | 84.7 | Confident | 85.7 | Confident | 96 Ų | 96 | 65 Ų | 65 | 67% | 0.671 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 146.4 | 169 | -45.1 | 0 | 0 | 0 | 0 | 111.1 | P711 W760 | S709-P711 WeakPolarHBondContact O-CD 3.37Å; S709-W760 PolarHBondContact O-NE1 2.83Å |
| 710 | D | 85.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 119.8 | 175.8 | -171.3 | -30.7 | 0 | 0 | 0 | 110 | G712 R719 L726 | D710-G712 PolarHBondContact O-N 2.86Å; D710-G712 WeakPolarHBondContact OD1-CA 3.42Å; D710-G712 PolarHBondContact OD1-N 2.77Å; D710-R719 IonicContact OD1-CZ 2.73Å; D710-R719 IonicContact OD1-NH1 2.73Å; D710-R719 PolarHBondContact OD1-NH1 2.85Å; D710-R719 IonicContact OD1-NH2 3.24Å; D710-R719 IonicContact OD2-CZ 3.24Å; D710-R719 IonicContact OD2-NH1 3.29Å; D710-R719 PolarHBondContact OD2-NH1 3.37Å; D710-R719 IonicContact OD2-NH2 3.57Å; D710-R719 PolarHBondContact OD2-NH2 2.86Å; D710-L726 HydrophobicContact CB-CD1 3.89Å |
| 711 | P | 83.9 | Confident | 85.7 | Confident | 36 Ų | 36 | 69.6 Ų | 69.6 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | trans | -75.3 | -11.7 | -176.7 | 29.5 | -31.7 | 0 | 0 | 0 | 113 | S709 I732 I748 W760 L764 | S709-P711 WeakPolarHBondContact O-CD 3.37Å; P711-I732 HydrophobicContact CG-CD1 3.76Å; P711-I748 HydrophobicContact CB-CD1 3.95Å; P711-I748 HydrophobicContact CG-CD1 3.54Å; P711-W760 HydrophobicContact CB-CD2 4.46Å; P711-W760 HydrophobicContact CB-CG 4.29Å; P711-W760 HydrophobicContact CG-CD2 4.14Å; P711-W760 HydrophobicContact CG-CG 4.48Å; P711-W760 HydrophobicContact CG-CZ2 4.03Å; P711-L764 HydrophobicContact CB-CD2 4.09Å; P711-L764 WeakPolarHBondContact O-CD1 3.28Å | ||
| 712 | G | 82.9 | Confident | 85.5 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | trans | 110.7 | -176.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D710 R719 Y734 | D710-G712 PolarHBondContact O-N 2.86Å; D710-G712 WeakPolarHBondContact OD1-CA 3.42Å; D710-G712 PolarHBondContact OD1-N 2.77Å; G712-R719 PolarHBondContact O-NH1 2.91Å; G712-Y734 PolarHBondContact O-OH 3.24Å | ||
| 713 | H | 85.3 | Confident | 85 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | trans | -100.9 | 155.6 | 173.1 | -172.7 | 60.4 | 0 | 0 | 0 | 110.5 | S717 | H713-S717 PolarHBondContact CE1-O 3.03Å; H713-S717 VanDerWaalsContact CE1-O 3.3Å | ||
| 714 | V | 87.1 | Confident | 84.6 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | trans | -119 | 123.2 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 107.2 | S717 Y734 L764 P765 | V714-S717 WeakPolarHBondContact CB-OG 3.34Å; V714-S717 WeakPolarHBondContact O-CB 3.44Å; V714-S717 PolarHBondContact O-N 2.96Å; V714-S717 PolarHBondContact O-OG 3.08Å; V714-Y734 HydrophobicContact CB-CD1 4.02Å; V714-Y734 HydrophobicContact CB-CE1 4.14Å; V714-Y734 HydrophobicContact CG2-CD1 3.91Å; V714-Y734 HydrophobicContact CG2-CE1 3.73Å; V714-L764 HydrophobicContact CG2-CB 3.89Å; V714-L764 HydrophobicContact CG2-CD1 3.94Å; V714-L764 HydrophobicContact CG2-CD2 4.07Å; V714-L764 HydrophobicContact CG2-CG 4.2Å; V714-P765 VanDerWaalsContact CG1-O 3.24Å; V714-P765 WeakPolarHBondContact CG1-O 3.24Å; V714-P765 HydrophobicContact CG2-CG 4.48Å; V714-P765 VanDerWaalsContact CG2-O 3.25Å; V714-P765 WeakPolarHBondContact CG2-O 3.24Å | ||
| 715 | E | 84.7 | Confident | 84.2 | Confident | 139 Ų | 139 | 73.5 Ų | 73.5 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 145.6 | 179.7 | -65.3 | -57.7 | 150.7 | 0 | 0 | 112.1 | S717 | E715-S717 PolarHBondContact O-N 2.84Š|
| 716 | H | 85.3 | Confident | 84.2 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 30.5 | -176.5 | -55.6 | -73.6 | 0 | 0 | 0 | 114.5 | S737 F740 C767 | H716-S737 WeakPolarHBondContact O-CB 3.49Å; H716-S737 PolarHBondContact O-N 2.84Å; H716-S737 PolarHBondContact O-OG 2.87Å; H716-S737 VanDerWaalsContact O-OG 3.07Å; H716-F740 HydrophobicContact CB-CD1 3.78Å; H716-F740 HydrophobicContact CB-CD2 4Å; H716-F740 HydrophobicContact CB-CE1 3.76Å; H716-F740 HydrophobicContact CB-CE2 3.99Å; H716-F740 HydrophobicContact CB-CG 3.92Å; H716-F740 HydrophobicContact CB-CZ 3.87Å; H716-F740 AromaticContact CD2-CE1 3.5Å; H716-F740 AromaticContact CD2-CZ 3.69Å; H716-F740 AromaticContact CE1-CZ 3.74Å; H716-F740 AromaticContact CG-CE1 3.48Å; H716-F740 VanDerWaalsContact CG-CE1 3.48Å; H716-F740 AromaticContact CG-CE2 3.86Å; H716-F740 AromaticContact CG-CZ 3.38Å; H716-F740 AromaticContact ND1-CE2 3.76Å; H716-F740 AromaticContact ND1-CZ 3.42Å; H716-F740 WeakPolarHBondContact ND1-CZ 3.36Å; H716-F740 AromaticContact NE2-CZ 3.9Å; H716-C767 HydrophobicContact CB-CB 4.4Å |
| 717 | S | 87.1 | Confident | 84.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 8% | 0.077 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.2 | 175.6 | 83.9 | 0 | 0 | 0 | 0 | 113.4 | H713 V714 E715 S735 | H713-S717 PolarHBondContact CE1-O 3.03Å; H713-S717 VanDerWaalsContact CE1-O 3.3Å; V714-S717 WeakPolarHBondContact CB-OG 3.34Å; V714-S717 WeakPolarHBondContact O-CB 3.44Å; V714-S717 PolarHBondContact O-N 2.96Å; V714-S717 PolarHBondContact O-OG 3.08Å; E715-S717 PolarHBondContact O-N 2.84Å; S717-S735 CarbonylContact C-O 3.58Å; S717-S735 WeakPolarHBondContact CA-O 3.43Å; S717-S735 WeakPolarHBondContact CB-O 3.41Å |
| 718 | T | 86.8 | Confident | 84.4 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 146.7 | 160 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | Y734 S735 | T718-Y734 CarbonylContact O-C 3.49Å; T718-Y734 WeakPolarHBondContact O-CA 3.03Å; T718-S735 PolarHBondContact N-O 2.88Å; T718-S735 PolarHBondContact O-N 2.84Å |
| 719 | R | 88 | Confident | 84.3 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.2 | 173.2 | 75.2 | 178.1 | -168.8 | 171.9 | 8.5 | 110.8 | D710 G712 L721 I732 Q733 Y734 | D710-R719 IonicContact OD1-CZ 2.73Å; D710-R719 IonicContact OD1-NH1 2.73Å; D710-R719 PolarHBondContact OD1-NH1 2.85Å; D710-R719 IonicContact OD1-NH2 3.24Å; D710-R719 IonicContact OD2-CZ 3.24Å; D710-R719 IonicContact OD2-NH1 3.29Å; D710-R719 PolarHBondContact OD2-NH1 3.37Å; D710-R719 IonicContact OD2-NH2 3.57Å; D710-R719 PolarHBondContact OD2-NH2 2.86Å; G712-R719 PolarHBondContact O-NH1 2.91Å; R719-L721 HydrophobicContact CG-CD1 3.94Å; R719-I732 HydrophobicContact CB-CG2 4.09Å; R719-Q733 WeakPolarHBondContact CA-O 3.42Å; R719-Y734 HydrophobicContact CB-CD1 3.89Å; R719-Y734 HydrophobicContact CB-CE1 3.78Å; R719-Y734 HydrophobicContact CB-CG 4.49Å |
| 720 | T | 87.6 | Confident | 84.4 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 53% | 0.534 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.1 | 173.5 | 46.6 | 0 | 0 | 0 | 0 | 109.2 | Q733 | T720-Q733 PolarHBondContact N-O 2.87Å; T720-Q733 PolarHBondContact O-N 2.91Å; T720-Q733 PolarHBondContact OG1-O 2.93Å |
| 721 | L | 87.2 | Confident | 84.5 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 143.5 | -178.9 | -69.3 | 71.4 | 0 | 0 | 0 | 109.5 | R719 L726 I732 | R719-L721 HydrophobicContact CG-CD1 3.94Å; L721-L726 HydrophobicContact CD2-CD2 3.74Å; L721-I732 HydrophobicContact CD1-CG2 4.33Å; L721-I732 HydrophobicContact CG-CD1 4.36Å; L721-I732 HydrophobicContact CG-CG1 4.15Å; L721-I732 HydrophobicContact CG-CG2 4.35Å |
| 722 | S | 85 | Confident | 84.8 | Confident | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -76.4 | -30 | 170.9 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | T731 | S722-T731 WeakPolarHBondContact CB-OG1 3.32Å; S722-T731 PolarHBondContact N-O 2.91Å; S722-T731 PolarHBondContact OG-N 3.01Å; S722-T731 PolarHBondContact OG-O 2.03Å; S722-T731 PolarHBondContact OG-OG1 3.48Å |
| 723 | D | 79.4 | Confident | 85.1 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | trans | -143.9 | 129.2 | 176.6 | -172.5 | -33.7 | 0 | 0 | 0 | 109 | K725 T730 | D723-K725 PolarHBondContact O-N 2.87Å; D723-K725 WeakPolarHBondContact OD1-CB 3.48Å; D723-K725 PolarHBondContact OD1-N 3.04Å; D723-T730 HydrophobicContact CB-CG2 4.24Å; D723-T730 WeakPolarHBondContact O-CG2 3.41Å | ||
| 724 | P | 78.9 | Confident | 85.4 | Confident | 117 Ų | 117 | 63.9 Ų | 63.9 | 76% | 0.76 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.1 | 176.9 | 28.9 | -36.8 | 0 | 0 | 0 | 114.8 | ||
| 725 | K | 74.3 | Confident | 85.5 | Confident | 156 Ų | 156 | 66.5 Ų | 66.5 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.3 | -178.7 | -65.3 | -173.9 | 175.4 | -175.7 | 0 | 114.8 | D723 L727 | D723-K725 PolarHBondContact O-N 2.87Å; D723-K725 WeakPolarHBondContact OD1-CB 3.48Å; D723-K725 PolarHBondContact OD1-N 3.04Å; K725-L727 HydrophobicContact CB-CD1 4.29Å; K725-L727 HydrophobicContact CB-CG 4.01Å; K725-L727 PolarHBondContact O-N 3.23Å; K725-L727 VanDerWaalsContact O-N 3.13Å |
| 726 | L | 85.2 | Confident | 85.6 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | trans | 54.9 | 29.4 | 176.8 | -54.3 | -178.6 | 0 | 0 | 0 | 115 | Y707 C708 D710 L721 T730 I732 W760 | Y707-L726 WeakPolarHBondContact CA-O 3.49Å; C708-L726 PolarHBondContact N-O 3.26Å; C708-L726 WeakPolarHBondContact O-CB 3.42Å; D710-L726 HydrophobicContact CB-CD1 3.89Å; L721-L726 HydrophobicContact CD2-CD2 3.74Å; L726-T730 HydrophobicContact CD2-CG2 4.23Å; L726-I732 HydrophobicContact CD2-CD1 3.95Å; L726-W760 HydrophobicContact CD2-CH2 4.14Å; L726-W760 HydrophobicContact CD2-CZ2 4.22Å | ||
| 727 | L | 84.8 | Confident | 85.8 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -62.9 | 158.7 | 177.2 | -64.5 | 171.6 | 0 | 0 | 0 | 111.9 | M706 K725 G729 T730 | M706-L727 CarbonylContact O-C 3.47Å; M706-L727 WeakPolarHBondContact O-CA 3.49Å; K725-L727 HydrophobicContact CB-CD1 4.29Å; K725-L727 HydrophobicContact CB-CG 4.01Å; K725-L727 PolarHBondContact O-N 3.23Å; K725-L727 VanDerWaalsContact O-N 3.13Å; L727-G729 PolarHBondContact O-N 2.79Å; L727-T730 PolarHBondContact N-OG1 2.79Å; L727-T730 WeakPolarHBondContact O-CB 3.4Å; L727-T730 PolarHBondContact O-N 2.86Å; L727-T730 PolarHBondContact O-OG1 2.92Å |
| 728 | V | 83.9 | Confident | 85.6 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 35% | 0.352 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 128.4 | 170.5 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | M706 P758 | M706-V728 PolarHBondContact O-N 3.18Å; V728-P758 HydrophobicContact CG2-CB 3.9Å; V728-P758 HydrophobicContact CG2-CG 3.82Å |
| 729 | G | 83.1 | Confident | 85 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -15.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | L727 T731 C750 | L727-G729 PolarHBondContact O-N 2.79Å; G729-T731 PolarHBondContact O-N 3.02Å; G729-C750 PolarHBondContact N-O 2.92Å |
| 730 | T | 86.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | trans | -61.4 | 134.1 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | D723 L726 L727 T749 C750 | D723-T730 HydrophobicContact CB-CG2 4.24Å; D723-T730 WeakPolarHBondContact O-CG2 3.41Å; L726-T730 HydrophobicContact CD2-CG2 4.23Å; L727-T730 PolarHBondContact N-OG1 2.79Å; L727-T730 WeakPolarHBondContact O-CB 3.4Å; L727-T730 PolarHBondContact O-N 2.86Å; L727-T730 PolarHBondContact O-OG1 2.92Å; T730-T749 WeakPolarHBondContact O-CA 3.38Å; T730-C750 PolarHBondContact O-N 3.3Å | ||
| 731 | T | 88.1 | Confident | 84.3 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.3 | 170.1 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | S722 G729 T747 I748 T749 | S722-T731 WeakPolarHBondContact CB-OG1 3.32Å; S722-T731 PolarHBondContact N-O 2.91Å; S722-T731 PolarHBondContact OG-N 3.01Å; S722-T731 PolarHBondContact OG-O 2.03Å; S722-T731 PolarHBondContact OG-OG1 3.48Å; G729-T731 PolarHBondContact O-N 3.02Å; T731-T747 HydrophobicContact CG2-CG2 4.31Å; T731-I748 CarbonylContact C-O 3.49Å; T731-I748 WeakPolarHBondContact CA-O 3.03Å; T731-T749 HydrophobicContact CG2-CG2 3.89Å |
| 732 | I | 89.3 | Confident | 84 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117.5 | 167.4 | -48.3 | -174.9 | 0 | 0 | 0 | 107 | P711 R719 L721 L726 Y734 T747 I748 W760 | P711-I732 HydrophobicContact CG-CD1 3.76Å; R719-I732 HydrophobicContact CB-CG2 4.09Å; L721-I732 HydrophobicContact CD1-CG2 4.33Å; L721-I732 HydrophobicContact CG-CD1 4.36Å; L721-I732 HydrophobicContact CG-CG1 4.15Å; L721-I732 HydrophobicContact CG-CG2 4.35Å; L726-I732 HydrophobicContact CD2-CD1 3.95Å; I732-Y734 HydrophobicContact CB-CE2 4.16Å; I732-Y734 HydrophobicContact CG2-CD2 4.2Å; I732-Y734 HydrophobicContact CG2-CE2 3.58Å; I732-T747 WeakPolarHBondContact O-CA 3.09Å; I732-I748 HydrophobicContact CB-CD1 4.45Å; I732-I748 HydrophobicContact CB-CG1 3.93Å; I732-I748 PolarHBondContact N-O 3.28Å; I732-I748 PolarHBondContact O-N 2.81Å; I732-W760 HydrophobicContact CD1-CH2 3.58Å; I732-W760 HydrophobicContact CD1-CZ2 3.97Å; I732-W760 HydrophobicContact CD1-CZ3 4.08Å; I732-W760 HydrophobicContact CG1-CH2 3.7Å; I732-W760 HydrophobicContact CG1-CZ3 3.86Å |
| 733 | Q | 90.1 | Very high | 83.8 | Confident | 104 Ų | 104 | 58.6 Ų | 58.6 | 49% | 0.486 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.1 | 172.5 | -177.2 | 174.2 | -10 | 0 | 0 | 109.1 | R719 T720 A746 T747 | R719-Q733 WeakPolarHBondContact CA-O 3.42Å; T720-Q733 PolarHBondContact N-O 2.87Å; T720-Q733 PolarHBondContact O-N 2.91Å; T720-Q733 PolarHBondContact OG1-O 2.93Å; Q733-A746 WeakPolarHBondContact CA-O 3.35Å; Q733-T747 HydrophobicContact CB-CG2 4.46Å |
| 734 | Y | 90.3 | Very high | 83.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 154.7 | 172.8 | -66.6 | -99.2 | 0 | 0 | 0 | 109.5 | G712 V714 T718 R719 I732 M742 A746 I748 L764 P765 | G712-Y734 PolarHBondContact O-OH 3.24Å; V714-Y734 HydrophobicContact CB-CD1 4.02Å; V714-Y734 HydrophobicContact CB-CE1 4.14Å; V714-Y734 HydrophobicContact CG2-CD1 3.91Å; V714-Y734 HydrophobicContact CG2-CE1 3.73Å; T718-Y734 CarbonylContact O-C 3.49Å; T718-Y734 WeakPolarHBondContact O-CA 3.03Å; R719-Y734 HydrophobicContact CB-CD1 3.89Å; R719-Y734 HydrophobicContact CB-CE1 3.78Å; R719-Y734 HydrophobicContact CB-CG 4.49Å; I732-Y734 HydrophobicContact CB-CE2 4.16Å; I732-Y734 HydrophobicContact CG2-CD2 4.2Å; I732-Y734 HydrophobicContact CG2-CE2 3.58Å; Y734-M742 WeakPolarHBondContact O-CE 3.35Å; Y734-A746 PolarHBondContact N-O 2.97Å; Y734-I748 HydrophobicContact CE2-CD1 3.88Å; Y734-I748 HydrophobicContact CE2-CG1 4.17Å; Y734-L764 HydrophobicContact CE1-CD2 4.32Å; Y734-L764 HydrophobicContact CE2-CD2 4.16Å; Y734-L764 VanDerWaalsContact OH-CD2 3.24Å; Y734-L764 WeakPolarHBondContact OH-CD2 3.25Å; Y734-P765 HydrophobicContact CD2-CG 4.11Å; Y734-P765 HydrophobicContact CG-CG 3.98Å |
| 735 | S | 89 | Confident | 83.9 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 129.3 | 169.5 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | S717 T718 | S717-S735 CarbonylContact C-O 3.58Å; S717-S735 WeakPolarHBondContact CA-O 3.43Å; S717-S735 WeakPolarHBondContact CB-O 3.41Å; T718-S735 PolarHBondContact N-O 2.88Å; T718-S735 PolarHBondContact O-N 2.84Å |
| 736 | C | 88.6 | Confident | 84.4 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 150.5 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | F740 M742 C767 | C736-F740 HydrophobicContact CB-CB 3.99Å; C736-F740 VanDerWaalsContact CB-O 3.27Å; C736-F740 WeakPolarHBondContact CB-O 3.49Å; C736-M742 VanDerWaalsContact SG-CA 3.56Å; C736-M742 VanDerWaalsContact SG-CB 3.57Å; C736-C767 WeakPolarHBondContact CA-SG 3.47Å; C736-C767 HydrophobicContact CB-CB 3.86Å; C736-C767 WeakPolarHBondContact CB-SG 3.19Å; C736-C767 VanDerWaalsContact SG-CA 3.57Å; C736-C767 WeakPolarHBondContact SG-CB 3.39Å; C736-C767 CovalentContact SG-SG 2.04Å; C736-C767 PolarHBondContact SG-SG 2.91Å |
| 737 | S | 87.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -72 | 157.1 | 171.7 | 68 | 0 | 0 | 0 | 0 | 111.4 | H716 G739 F740 | H716-S737 WeakPolarHBondContact O-CB 3.49Å; H716-S737 PolarHBondContact O-N 2.84Å; H716-S737 PolarHBondContact O-OG 2.87Å; H716-S737 VanDerWaalsContact O-OG 3.07Å; S737-G739 PolarHBondContact O-N 2.91Å; S737-F740 WeakPolarHBondContact O-CB 3.34Å; S737-F740 PolarHBondContact O-N 2.68Å; S737-F740 VanDerWaalsContact O-N 3.14Å; S737-F740 WeakPolarHBondContact OG-CD2 3.42Å |
| 738 | P | 83.4 | Confident | 84.8 | Confident | 133 Ų | 133 | 48.4 Ų | 48.4 | 86% | 0.864 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 135.3 | -179.6 | -25.9 | 35.1 | 0 | 0 | 0 | 112.7 | ||
| 739 | G | 74.3 | Confident | 85.1 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -0.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S737 S769 E770 | S737-G739 PolarHBondContact O-N 2.91Å; G739-S769 WeakPolarHBondContact O-CA 3.22Å; G739-E770 WeakPolarHBondContact CA-OE1 3.04Å; G739-E770 PolarHBondContact N-OE1 3.44Å; G739-E770 PolarHBondContact O-N 2.04Å |
| 740 | F | 82.1 | Confident | 85.4 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.9 | 179.5 | -65 | -102 | 0 | 0 | 0 | 112.1 | H716 C736 S737 C767 V768 | H716-F740 HydrophobicContact CB-CD1 3.78Å; H716-F740 HydrophobicContact CB-CD2 4Å; H716-F740 HydrophobicContact CB-CE1 3.76Å; H716-F740 HydrophobicContact CB-CE2 3.99Å; H716-F740 HydrophobicContact CB-CG 3.92Å; H716-F740 HydrophobicContact CB-CZ 3.87Å; H716-F740 AromaticContact CD2-CE1 3.5Å; H716-F740 AromaticContact CD2-CZ 3.69Å; H716-F740 AromaticContact CE1-CZ 3.74Å; H716-F740 AromaticContact CG-CE1 3.48Å; H716-F740 VanDerWaalsContact CG-CE1 3.48Å; H716-F740 AromaticContact CG-CE2 3.86Å; H716-F740 AromaticContact CG-CZ 3.38Å; H716-F740 AromaticContact ND1-CE2 3.76Å; H716-F740 AromaticContact ND1-CZ 3.42Å; H716-F740 WeakPolarHBondContact ND1-CZ 3.36Å; H716-F740 AromaticContact NE2-CZ 3.9Å; C736-F740 HydrophobicContact CB-CB 3.99Å; C736-F740 VanDerWaalsContact CB-O 3.27Å; C736-F740 WeakPolarHBondContact CB-O 3.49Å; S737-F740 WeakPolarHBondContact O-CB 3.34Å; S737-F740 PolarHBondContact O-N 2.68Å; S737-F740 VanDerWaalsContact O-N 3.14Å; S737-F740 WeakPolarHBondContact OG-CD2 3.42Å; F740-C767 HydrophobicContact CB-CB 4.11Å; F740-C767 HydrophobicContact CD1-CB 4.47Å; F740-V768 CarbonylContact C-O 3.56Å; F740-V768 VanDerWaalsContact CA-O 3.25Å; F740-V768 WeakPolarHBondContact CA-O 3.37Å |
| 741 | I | 79.6 | Confident | 85.4 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.6 | 176.5 | -60.9 | -179.7 | 0 | 0 | 0 | 109.4 | V768 E770 V773 L794 | I741-V768 PolarHBondContact N-O 2.79Å; I741-V768 WeakPolarHBondContact O-CG2 3.37Å; I741-V768 PolarHBondContact O-N 2.95Å; I741-E770 HydrophobicContact CD1-CG 3.99Å; I741-E770 HydrophobicContact CG1-CG 3.78Å; I741-V773 HydrophobicContact CB-CG2 4.42Å; I741-V773 HydrophobicContact CD1-CG2 4Å; I741-L794 HydrophobicContact CD1-CD2 4.33Å |
| 742 | M | 81.2 | Confident | 85 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131.6 | 178.4 | -167 | 179.2 | -71.3 | 0 | 0 | 112.5 | Y734 C736 A746 P765 | Y734-M742 WeakPolarHBondContact O-CE 3.35Å; C736-M742 VanDerWaalsContact SG-CA 3.56Å; C736-M742 VanDerWaalsContact SG-CB 3.57Å; M742-A746 HydrophobicContact CE-CB 4.17Å; M742-A746 WeakPolarHBondContact SD-CA 3.14Å; M742-A746 HydrophobicContact SD-CB 3.51Å; M742-A746 VanDerWaalsContact SD-CB 3.51Å; M742-P765 HydrophobicContact CG-CB 3.94Å; M742-P765 HydrophobicContact SD-CB 4.05Å; M742-P765 HydrophobicContact SD-CG 4.37Å |
| 743 | Q | 80.7 | Confident | 84.5 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 98.1 | 173.2 | -169.7 | 176.2 | 34.6 | 0 | 0 | 109.2 | H766 | Q743-H766 PolarHBondContact N-O 3.41Å; Q743-H766 PolarHBondContact O-N 3.14Å |
| 744 | G | 78.9 | Confident | 83.7 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 144.4 | -167 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 745 | G | 81.8 | Confident | 82.2 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | trans | -84.6 | 127.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T747 | G745-T747 VanDerWaalsContact C-N 3.31Å; G745-T747 PolarHBondContact O-N 3.28Å | ||
| 746 | A | 84.2 | Confident | 81.4 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -70.6 | -24.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q733 Y734 M742 | Q733-A746 WeakPolarHBondContact CA-O 3.35Å; Y734-A746 PolarHBondContact N-O 2.97Å; M742-A746 HydrophobicContact CE-CB 4.17Å; M742-A746 WeakPolarHBondContact SD-CA 3.14Å; M742-A746 HydrophobicContact SD-CB 3.51Å; M742-A746 VanDerWaalsContact SD-CB 3.51Å |
| 747 | T | 89.2 | Confident | 81.1 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 37% | 0.368 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.3 | -179 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | T731 I732 Q733 G745 | T731-T747 HydrophobicContact CG2-CG2 4.31Å; I732-T747 WeakPolarHBondContact O-CA 3.09Å; Q733-T747 HydrophobicContact CB-CG2 4.46Å; G745-T747 VanDerWaalsContact C-N 3.31Å; G745-T747 PolarHBondContact O-N 3.28Å |
| 748 | I | 89.8 | Confident | 81 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.1 | 173.2 | 66.5 | 177.9 | 0 | 0 | 0 | 109.4 | P711 T731 I732 Y734 W760 S762 L764 | P711-I748 HydrophobicContact CB-CD1 3.95Å; P711-I748 HydrophobicContact CG-CD1 3.54Å; T731-I748 CarbonylContact C-O 3.49Å; T731-I748 WeakPolarHBondContact CA-O 3.03Å; I732-I748 HydrophobicContact CB-CD1 4.45Å; I732-I748 HydrophobicContact CB-CG1 3.93Å; I732-I748 PolarHBondContact N-O 3.28Å; I732-I748 PolarHBondContact O-N 2.81Å; Y734-I748 HydrophobicContact CE2-CD1 3.88Å; Y734-I748 HydrophobicContact CE2-CG1 4.17Å; I748-W760 HydrophobicContact CB-CE3 4.17Å; I748-W760 HydrophobicContact CD1-CD2 4.18Å; I748-W760 HydrophobicContact CD1-CE3 3.97Å; I748-W760 HydrophobicContact CG1-CD2 4.44Å; I748-W760 HydrophobicContact CG1-CE3 3.74Å; I748-W760 HydrophobicContact CG1-CZ3 4.12Å; I748-S762 VanDerWaalsContact CG2-OG 3.32Å; I748-S762 WeakPolarHBondContact CG2-OG 3.06Å; I748-L764 HydrophobicContact CD1-CD2 4.3Å |
| 749 | T | 89.6 | Confident | 81.2 | Confident | 46 Ų | 46 | 57 Ų | 57 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135 | -175.7 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | T730 T731 W760 T761 | T730-T749 WeakPolarHBondContact O-CA 3.38Å; T731-T749 HydrophobicContact CG2-CG2 3.89Å; T749-W760 WeakPolarHBondContact O-CA 3.45Å; T749-T761 PolarHBondContact N-OG1 2.96Å; T749-T761 PolarHBondContact O-N 2.04Å; T749-T761 PolarHBondContact O-OG1 3.06Å |
| 750 | C | 89.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122 | 170.3 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | C708 G729 T730 W760 | C708-C750 HydrophobicContact CB-CB 3.8Å; C708-C750 WeakPolarHBondContact CB-SG 3.47Å; C708-C750 PolarHBondContact N-SG 2.78Å; C708-C750 WeakPolarHBondContact SG-CA 3.32Å; C708-C750 WeakPolarHBondContact SG-CB 3.4Å; C708-C750 CovalentContact SG-SG 2.03Å; C708-C750 PolarHBondContact SG-SG 3.17Å; G729-C750 PolarHBondContact N-O 2.92Å; T730-C750 PolarHBondContact O-N 3.3Å; C750-W760 HydrophobicContact CB-CD2 4.45Å; C750-W760 HydrophobicContact CB-CE3 4.08Å; C750-W760 HydrophobicContact CB-CH2 3.79Å; C750-W760 HydrophobicContact CB-CZ2 4.2Å; C750-W760 HydrophobicContact CB-CZ3 3.75Å; C750-W760 VanDerWaalsContact N-CE3 3.31Å |
| 751 | Y | 85.8 | Confident | 82.1 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.4 | 175.7 | 76.1 | -80.5 | 0 | 0 | 0 | 111.4 | P758 V759 T761 | Y751-P758 WeakPolarHBondContact O-CA 3.44Å; Y751-V759 HydrophobicContact CD1-CG2 4.27Å; Y751-V759 WeakPolarHBondContact CD1-O 3.04Å; Y751-V759 HydrophobicContact CE1-CB 4.49Å; Y751-V759 HydrophobicContact CE1-CG2 3.64Å; Y751-V759 HydrophobicContact CE2-CG2 4.09Å; Y751-V759 PolarHBondContact N-O 2.94Å; Y751-V759 PolarHBondContact O-N 2.85Å; Y751-T761 HydrophobicContact CD1-CG2 3.66Å; Y751-T761 HydrophobicContact CE1-CG2 4.14Å; Y751-T761 HydrophobicContact CG-CG2 4.48Å |
| 752 | G | 80.9 | Confident | 82.4 | Confident | 39 Ų | 39 | 58 Ų | 58 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | trans | -72.7 | 148.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 753 | R | 78.5 | Confident | 82.5 | Confident | 106 Ų | 106 | 66.4 Ų | 66.4 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | trans | -127.3 | 148.4 | 171.1 | 66.3 | 177.1 | -129.1 | -114.9 | 8.5 | 109 | P755 G756 T757 | R753-P755 PolarHBondContact NE-O 3.12Å; R753-P755 PolarHBondContact NH2-O 2.85Å; R753-G756 WeakPolarHBondContact CG-O 3.21Å; R753-T757 VanDerWaalsContact CD-O 3.28Å; R753-T757 WeakPolarHBondContact CD-O 3.33Å; R753-T757 VanDerWaalsContact CG-O 3.29Å; R753-T757 WeakPolarHBondContact CG-O 3.35Å; R753-T757 PolarHBondContact NH1-O 3.07Å; R753-T757 PolarHBondContact NH1-OG1 2.86Å | ||
| 754 | E | 72.9 | Confident | 82.8 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 73% | 0.729 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -130.1 | 113.3 | 176.6 | -60.6 | -167.7 | 150.4 | 0 | 0 | 107.8 | K704 | K704-E754 IonicContact NZ-OE1 3.45Å; K704-E754 PolarHBondContact NZ-OE1 3.49Å |
| 755 | P | 59.9 | Low | 83.2 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 75% | 0.747 | 34% | 0.338 | S | S | * | . | S | Bend | cis | -83.4 | 146.4 | 1.2 | 33.4 | -35 | 0 | 0 | 0 | 115.4 | R753 | R753-P755 PolarHBondContact NE-O 3.12Å; R753-P755 PolarHBondContact NH2-O 2.85Å |
| 756 | G | 71.4 | Confident | 83.4 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 119 | -176 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | P677 R753 | P677-G756 WeakPolarHBondContact O-CA 3.18Å; R753-G756 WeakPolarHBondContact CG-O 3.21Å |
| 757 | T | 81.6 | Confident | 83.6 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | trans | -59.8 | 137 | -175.5 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | I705 R753 | I705-T757 HydrophobicContact CD1-CG2 3.87Å; R753-T757 VanDerWaalsContact CD-O 3.28Å; R753-T757 WeakPolarHBondContact CD-O 3.33Å; R753-T757 VanDerWaalsContact CG-O 3.29Å; R753-T757 WeakPolarHBondContact CG-O 3.35Å; R753-T757 PolarHBondContact NH1-O 3.07Å; R753-T757 PolarHBondContact NH1-OG1 2.86Å | ||
| 758 | P | 85.6 | Confident | 83.2 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | trans | -54.2 | 150.1 | 171.3 | -26.5 | 35.4 | 0 | 0 | 0 | 113.3 | I705 V728 Y751 | I705-P758 HydrophobicContact CG2-CG 4.45Å; I705-P758 WeakPolarHBondContact O-CD 3.24Å; I705-P758 WeakPolarHBondContact O-CG 3.39Å; V728-P758 HydrophobicContact CG2-CB 3.9Å; V728-P758 HydrophobicContact CG2-CG 3.82Å; Y751-P758 WeakPolarHBondContact O-CA 3.44Å | ||
| 759 | V | 87.7 | Confident | 82.6 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 159.2 | -175.4 | -76.8 | 0 | 0 | 0 | 0 | 111.8 | Y751 | Y751-V759 HydrophobicContact CD1-CG2 4.27Å; Y751-V759 WeakPolarHBondContact CD1-O 3.04Å; Y751-V759 HydrophobicContact CE1-CB 4.49Å; Y751-V759 HydrophobicContact CE1-CG2 3.64Å; Y751-V759 HydrophobicContact CE2-CG2 4.09Å; Y751-V759 PolarHBondContact N-O 2.94Å; Y751-V759 PolarHBondContact O-N 2.85Å |
| 760 | W | 88.9 | Confident | 81.7 | Confident | 40 Ų | 40 | 67 Ų | 67 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 142.2 | 174.7 | -64.8 | 99.4 | 0 | 0 | 0 | 111.4 | C708 S709 P711 L726 I732 I748 T749 C750 S762 | C708-W760 HydrophobicContact CB-CD2 4.32Å; C708-W760 HydrophobicContact CB-CZ2 3.63Å; S709-W760 PolarHBondContact O-NE1 2.83Å; P711-W760 HydrophobicContact CB-CD2 4.46Å; P711-W760 HydrophobicContact CB-CG 4.29Å; P711-W760 HydrophobicContact CG-CD2 4.14Å; P711-W760 HydrophobicContact CG-CG 4.48Å; P711-W760 HydrophobicContact CG-CZ2 4.03Å; L726-W760 HydrophobicContact CD2-CH2 4.14Å; L726-W760 HydrophobicContact CD2-CZ2 4.22Å; I732-W760 HydrophobicContact CD1-CH2 3.58Å; I732-W760 HydrophobicContact CD1-CZ2 3.97Å; I732-W760 HydrophobicContact CD1-CZ3 4.08Å; I732-W760 HydrophobicContact CG1-CH2 3.7Å; I732-W760 HydrophobicContact CG1-CZ3 3.86Å; I748-W760 HydrophobicContact CB-CE3 4.17Å; I748-W760 HydrophobicContact CD1-CD2 4.18Å; I748-W760 HydrophobicContact CD1-CE3 3.97Å; I748-W760 HydrophobicContact CG1-CD2 4.44Å; I748-W760 HydrophobicContact CG1-CE3 3.74Å; I748-W760 HydrophobicContact CG1-CZ3 4.12Å; T749-W760 WeakPolarHBondContact O-CA 3.45Å; C750-W760 HydrophobicContact CB-CD2 4.45Å; C750-W760 HydrophobicContact CB-CE3 4.08Å; C750-W760 HydrophobicContact CB-CH2 3.79Å; C750-W760 HydrophobicContact CB-CZ2 4.2Å; C750-W760 HydrophobicContact CB-CZ3 3.75Å; C750-W760 VanDerWaalsContact N-CE3 3.31Å; W760-S762 PolarHBondContact O-N 2.67Å |
| 761 | T | 87.6 | Confident | 80.8 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -59.7 | -23.6 | 179.3 | 46 | 0 | 0 | 0 | 0 | 114.7 | T749 Y751 | T749-T761 PolarHBondContact N-OG1 2.96Å; T749-T761 PolarHBondContact O-N 2.04Å; T749-T761 PolarHBondContact O-OG1 3.06Å; Y751-T761 HydrophobicContact CD1-CG2 3.66Å; Y751-T761 HydrophobicContact CE1-CG2 4.14Å; Y751-T761 HydrophobicContact CG-CG2 4.48Å |
| 762 | S | 84.1 | Confident | 79.9 | Confident | 53 Ų | 53 | 70 Ų | 70 | 37% | 0.371 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -158.3 | 169 | -177.6 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | I748 W760 | I748-S762 VanDerWaalsContact CG2-OG 3.32Å; I748-S762 WeakPolarHBondContact CG2-OG 3.06Å; W760-S762 PolarHBondContact O-N 2.67Å |
| 763 | R | 84.3 | Confident | 79.4 | Confident | 229 Ų | 229 | 68.4 Ų | 68.4 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 157.7 | 174 | -67.7 | -178 | -73.6 | -150.2 | -2.4 | 110.7 | ||
| 764 | L | 86.8 | Confident | 79.4 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 141 | 174.9 | -68 | -178.3 | 0 | 0 | 0 | 112.1 | P711 V714 Y734 I748 | P711-L764 HydrophobicContact CB-CD2 4.09Å; P711-L764 WeakPolarHBondContact O-CD1 3.28Å; V714-L764 HydrophobicContact CG2-CB 3.89Å; V714-L764 HydrophobicContact CG2-CD1 3.94Å; V714-L764 HydrophobicContact CG2-CD2 4.07Å; V714-L764 HydrophobicContact CG2-CG 4.2Å; Y734-L764 HydrophobicContact CE1-CD2 4.32Å; Y734-L764 HydrophobicContact CE2-CD2 4.16Å; Y734-L764 VanDerWaalsContact OH-CD2 3.24Å; Y734-L764 WeakPolarHBondContact OH-CD2 3.25Å; I748-L764 HydrophobicContact CD1-CD2 4.3Å |
| 765 | P | 87.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 165.3 | 166.9 | 31.8 | -34.2 | 0 | 0 | 0 | 111.2 | V714 Y734 M742 | V714-P765 VanDerWaalsContact CG1-O 3.24Å; V714-P765 WeakPolarHBondContact CG1-O 3.24Å; V714-P765 HydrophobicContact CG2-CG 4.48Å; V714-P765 VanDerWaalsContact CG2-O 3.25Å; V714-P765 WeakPolarHBondContact CG2-O 3.24Å; Y734-P765 HydrophobicContact CD2-CG 4.11Å; Y734-P765 HydrophobicContact CG-CG 3.98Å; M742-P765 HydrophobicContact CG-CB 3.94Å; M742-P765 HydrophobicContact SD-CB 4.05Å; M742-P765 HydrophobicContact SD-CG 4.37Å |
| 766 | H | 87.3 | Confident | 80.9 | Confident | 122 Ų | 122 | 57.4 Ų | 57.4 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.8 | 169.8 | -62.8 | -65.9 | 0 | 0 | 0 | 110.6 | Q743 | Q743-H766 PolarHBondContact N-O 3.41Å; Q743-H766 PolarHBondContact O-N 3.14Å |
| 767 | C | 87 | Confident | 81.4 | Confident | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.122 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.9 | 169.9 | -67.9 | 0 | 0 | 0 | 0 | 108.8 | H716 C736 F740 | H716-C767 HydrophobicContact CB-CB 4.4Å; C736-C767 WeakPolarHBondContact CA-SG 3.47Å; C736-C767 HydrophobicContact CB-CB 3.86Å; C736-C767 WeakPolarHBondContact CB-SG 3.19Å; C736-C767 VanDerWaalsContact SG-CA 3.57Å; C736-C767 WeakPolarHBondContact SG-CB 3.39Å; C736-C767 CovalentContact SG-SG 2.04Å; C736-C767 PolarHBondContact SG-SG 2.91Å; F740-C767 HydrophobicContact CB-CB 4.11Å; F740-C767 HydrophobicContact CD1-CB 4.47Å |
| 768 | V | 82 | Confident | 81.5 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.9 | -179.8 | -67 | 0 | 0 | 0 | 0 | 109.7 | F740 I741 V773 | F740-V768 CarbonylContact C-O 3.56Å; F740-V768 VanDerWaalsContact CA-O 3.25Å; F740-V768 WeakPolarHBondContact CA-O 3.37Å; I741-V768 PolarHBondContact N-O 2.79Å; I741-V768 WeakPolarHBondContact O-CG2 3.37Å; I741-V768 PolarHBondContact O-N 2.95Å; V768-V773 HydrophobicContact CG2-CG1 3.86Å; V768-V773 HydrophobicContact CG2-CG2 3.99Å |
| 769 | S | 76.2 | Confident | 81.3 | Confident | 40 Ų | 40 | 59 Ų | 59 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 145 | -177.9 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | G739 D771 S772 V773 | G739-S769 WeakPolarHBondContact O-CA 3.22Å; S769-D771 PolarHBondContact O-N 3.46Å; S769-S772 PolarHBondContact N-OG 2.83Å; S769-S772 PolarHBondContact O-N 2.79Å; S769-S772 PolarHBondContact O-OG 3.36Å; S769-S772 PolarHBondContact OG-OG 2.71Å; S769-V773 WeakPolarHBondContact O-CG2 3.44Å |
| 770 | E | 71.5 | Confident | 81.2 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.2 | -39.8 | 179.3 | -77.1 | 170.3 | -145.2 | 0 | 0 | 112.1 | G739 I741 S772 V773 S774 L794 | G739-E770 WeakPolarHBondContact CA-OE1 3.04Å; G739-E770 PolarHBondContact N-OE1 3.44Å; G739-E770 PolarHBondContact O-N 2.04Å; I741-E770 HydrophobicContact CD1-CG 3.99Å; I741-E770 HydrophobicContact CG1-CG 3.78Å; E770-S772 VanDerWaalsContact C-N 3.28Å; E770-S772 PolarHBondContact O-N 2.97Å; E770-V773 PolarHBondContact O-N 3.33Å; E770-S774 VanDerWaalsContact O-CB 3.3Å; E770-S774 WeakPolarHBondContact O-CB 3.22Å; E770-S774 PolarHBondContact O-N 2.93Å; E770-S774 PolarHBondContact O-OG 2.82Å; E770-L794 HydrophobicContact CB-CD2 4.23Å; E770-L794 HydrophobicContact CG-CD2 4.38Å |
| 771 | D | 68.8 | Low | 81 | Confident | 116 Ų | 116 | 59.9 Ų | 59.9 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.6 | -39.4 | 174.6 | -63.2 | -40.7 | 0 | 0 | 0 | 112.8 | S769 S774 L792 | S769-D771 PolarHBondContact O-N 3.46Å; D771-S774 PolarHBondContact O-OG 3.36Å; D771-L792 HydrophobicContact CB-CD1 4.36Å; D771-L792 WeakPolarHBondContact OD1-CD1 3.43Å |
| 772 | S | 67.7 | Low | 80.8 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -77.5 | -21.7 | -173.1 | 70 | 0 | 0 | 0 | 0 | 115.1 | S769 E770 | S769-S772 PolarHBondContact N-OG 2.83Å; S769-S772 PolarHBondContact O-N 2.79Å; S769-S772 PolarHBondContact O-OG 3.36Å; S769-S772 PolarHBondContact OG-OG 2.71Å; E770-S772 VanDerWaalsContact C-N 3.28Å; E770-S772 PolarHBondContact O-N 2.97Å |
| 773 | V | 71.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -106 | -10.2 | 176.9 | -89.3 | 0 | 0 | 0 | 0 | 113.3 | I741 V768 S769 E770 P795 I819 S823 | I741-V773 HydrophobicContact CB-CG2 4.42Å; I741-V773 HydrophobicContact CD1-CG2 4Å; V768-V773 HydrophobicContact CG2-CG1 3.86Å; V768-V773 HydrophobicContact CG2-CG2 3.99Å; S769-V773 WeakPolarHBondContact O-CG2 3.44Å; E770-V773 PolarHBondContact O-N 3.33Å; V773-P795 HydrophobicContact CB-CG 4.23Å; V773-P795 VanDerWaalsContact O-CG 3.28Å; V773-P795 WeakPolarHBondContact O-CG 3.39Å; V773-I819 HydrophobicContact CG1-CD1 4.2Å; V773-I819 HydrophobicContact CG1-CG1 4.27Å; V773-S823 WeakPolarHBondContact O-CB 3.35Å |
| 774 | S | 78.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -74.7 | 153.4 | 173.7 | 71 | 0 | 0 | 0 | 0 | 112.7 | E770 D771 L792 Y793 S823 | E770-S774 VanDerWaalsContact O-CB 3.3Å; E770-S774 WeakPolarHBondContact O-CB 3.22Å; E770-S774 PolarHBondContact O-N 2.93Å; E770-S774 PolarHBondContact O-OG 2.82Å; D771-S774 PolarHBondContact O-OG 3.36Å; S774-L792 WeakPolarHBondContact OG-CB 3.39Å; S774-Y793 CarbonylContact C-O 3.58Å; S774-Y793 WeakPolarHBondContact CA-O 3.4Å; S774-Y793 VanDerWaalsContact CB-O 3.3Å; S774-Y793 WeakPolarHBondContact CB-O 3.3Å; S774-S823 PolarHBondContact O-OG 3.41Å |
| 775 | C | 81.4 | Confident | 80.7 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133 | 172.8 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | L792 Y793 C817 W825 | C775-L792 WeakPolarHBondContact O-CA 3.45Å; C775-Y793 PolarHBondContact N-O 3.42Å; C775-Y793 PolarHBondContact O-N 2.77Å; C775-C817 HydrophobicContact CB-CB 3.8Å; C775-C817 WeakPolarHBondContact CB-SG 3.43Å; C775-C817 PolarHBondContact N-SG 2.87Å; C775-C817 VanDerWaalsContact N-SG 3.36Å; C775-C817 WeakPolarHBondContact SG-CA 3.45Å; C775-C817 WeakPolarHBondContact SG-CB 3.25Å; C775-C817 CovalentContact SG-SG 2.04Å; C775-C817 PolarHBondContact SG-SG 3.01Å; C775-W825 HydrophobicContact CB-CD2 4.21Å; C775-W825 HydrophobicContact CB-CH2 4.36Å; C775-W825 HydrophobicContact CB-CZ2 3.66Å |
| 776 | E | 82 | Confident | 80.7 | Confident | 137 Ų | 137 | 56.9 Ų | 56.9 | 64% | 0.64 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 150.4 | 169.2 | -65.1 | -159.4 | 130 | 0 | 0 | 111.5 | P778 L792 W825 | E776-P778 WeakPolarHBondContact O-CD 3.48Å; E776-L792 HydrophobicContact CG-CD2 4Å; E776-W825 PolarHBondContact O-NE1 2.9Å |
| 777 | N | 83.1 | Confident | 80.5 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 121.6 | 176.4 | -167.3 | -59.9 | 0 | 0 | 0 | 110.9 | G779 Q786 K790 R791 Y793 | N777-G779 PolarHBondContact O-N 3.16Å; N777-G779 PolarHBondContact OD1-N 3.43Å; N777-Q786 PolarHBondContact ND2-OE1 3.46Å; N777-K790 WeakPolarHBondContact CB-O 3.33Å; N777-K790 PolarHBondContact ND2-O 3.44Å; N777-R791 PolarHBondContact N-O 2.89Å; N777-R791 VanDerWaalsContact N-O 3.1Å; N777-Y793 HydrophobicContact CB-CE2 4.09Å; N777-Y793 PolarHBondContact ND2-OH 2.92Å; N777-Y793 VanDerWaalsContact ND2-OH 3.13Å |
| 778 | P | 83 | Confident | 80.2 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 31% | 0.312 | 33% | 0.328 | S | S | . | . | trans | -79.3 | 2.6 | -174.2 | 31.7 | -32.3 | 0 | 0 | 0 | 113.8 | E776 L799 F801 I815 W825 L829 | E776-P778 WeakPolarHBondContact O-CD 3.48Å; P778-L799 HydrophobicContact CG-CD2 4.2Å; P778-F801 HydrophobicContact CG-CZ 4.34Å; P778-I815 HydrophobicContact CG-CD1 3.79Å; P778-W825 HydrophobicContact CG-CD2 4.45Å; P778-W825 HydrophobicContact CG-CZ2 4.38Å; P778-L829 HydrophobicContact CG-CD1 4.45Å | ||
| 779 | G | 81.6 | Confident | 80 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | trans | 105.4 | -162.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N777 | N777-G779 PolarHBondContact O-N 3.16Å; N777-G779 PolarHBondContact OD1-N 3.43Å | ||
| 780 | L | 85.5 | Confident | 80.3 | Confident | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | trans | -118.1 | 138.4 | 179 | -67 | 172.3 | 0 | 0 | 0 | 109 | Q786 | L780-Q786 HydrophobicContact CD2-CB 3.99Å; L780-Q786 HydrophobicContact CD2-CG 3.69Å | ||
| 781 | P | 84.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | trans | -70.9 | 141.6 | 174.1 | 31.6 | -35.9 | 0 | 0 | 0 | 110.7 | N783 G784 F801 P830 | P781-N783 PolarHBondContact O-N 2.83Å; P781-G784 PolarHBondContact O-N 3.13Å; P781-F801 HydrophobicContact CG-CD1 4.25Å; P781-P830 VanDerWaalsContact CB-O 3.24Å; P781-P830 WeakPolarHBondContact CB-O 3.45Å | ||
| 782 | D | 82.4 | Confident | 81.2 | Confident | 129 Ų | 129 | 67.6 Ų | 67.6 | 69% | 0.69 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 123.1 | 174.9 | -78.6 | -43.9 | 0 | 0 | 0 | 110.4 | C832 | D782-C832 WeakPolarHBondContact O-CB 3.46Š|
| 783 | N | 82.6 | Confident | 81.9 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 29.5 | -173 | -48.3 | -79.2 | 0 | 0 | 0 | 115.5 | P781 Y804 Y807 C832 | P781-N783 PolarHBondContact O-N 2.83Å; N783-Y804 HydrophobicContact CB-CD2 4.48Å; N783-Y804 WeakPolarHBondContact O-CB 3.33Å; N783-Y804 VanDerWaalsContact O-CD2 3.29Å; N783-Y804 WeakPolarHBondContact O-CD2 3.49Å; N783-Y804 PolarHBondContact O-N 2.91Å; N783-Y807 HydrophobicContact CB-CD1 3.68Å; N783-Y807 HydrophobicContact CB-CD2 4.07Å; N783-Y807 HydrophobicContact CB-CE1 3.6Å; N783-Y807 HydrophobicContact CB-CE2 4.01Å; N783-Y807 HydrophobicContact CB-CG 3.94Å; N783-Y807 VanDerWaalsContact CG-CE1 3.45Å; N783-Y807 PolarHBondContact OD1-OH 3.13Å; N783-C832 HydrophobicContact CB-CB 4.49Å |
| 784 | G | 85 | Confident | 82.4 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | -174.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P781 V802 | P781-G784 PolarHBondContact O-N 3.13Å; G784-V802 CarbonylContact C-O 3.48Å; G784-V802 VanDerWaalsContact CA-O 3.23Å; G784-V802 WeakPolarHBondContact CA-O 3.43Å |
| 785 | Y | 85.5 | Confident | 82.3 | Confident | 104 Ų | 104 | 69.6 Ų | 69.6 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 160.4 | -179.8 | 68.2 | -83.2 | 0 | 0 | 0 | 111.9 | F801 V802 Y804 | Y785-F801 WeakPolarHBondContact O-CA 3.23Å; Y785-V802 HydrophobicContact CD1-CB 4.22Å; Y785-V802 WeakPolarHBondContact CD1-O 3.29Å; Y785-V802 HydrophobicContact CE1-CB 3.71Å; Y785-V802 HydrophobicContact CE1-CG1 3.72Å; Y785-V802 HydrophobicContact CE2-CB 4.12Å; Y785-V802 HydrophobicContact CE2-CG2 4.39Å; Y785-V802 PolarHBondContact N-O 2.93Å; Y785-V802 PolarHBondContact O-N 2.98Å; Y785-Y804 AromaticContact CD1-CD1 3.91Å; Y785-Y804 HydrophobicContact CD1-CD1 3.91Å; Y785-Y804 AromaticContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CE1-CD1 4.32Å; Y785-Y804 HydrophobicContact CE1-CE1 4.28Å; Y785-Y804 HydrophobicContact CG-CE1 4.32Å |
| 786 | Q | 88.1 | Confident | 82.2 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 16% | 0.159 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 144.6 | 174.6 | 69.1 | -172.6 | -53 | 0 | 0 | 110.9 | N777 L780 Y793 L799 T800 F801 | N777-Q786 PolarHBondContact ND2-OE1 3.46Å; L780-Q786 HydrophobicContact CD2-CB 3.99Å; L780-Q786 HydrophobicContact CD2-CG 3.69Å; Q786-Y793 PolarHBondContact OE1-OH 2.82Å; Q786-L799 HydrophobicContact CB-CD1 4.02Å; Q786-T800 WeakPolarHBondContact CA-O 2.98Å; Q786-F801 HydrophobicContact CB-CD1 4.03Å; Q786-F801 HydrophobicContact CB-CE1 4.15Å |
| 787 | I | 83.6 | Confident | 82.4 | Confident | 106 Ų | 106 | 67.8 Ų | 67.8 | 54% | 0.544 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -75.5 | -36.9 | -176.4 | -58.3 | -174 | 0 | 0 | 0 | 112.3 | T800 V802 | I787-T800 HydrophobicContact CD1-CG2 3.59Å; I787-T800 HydrophobicContact CG1-CG2 4.3Å; I787-T800 PolarHBondContact N-O 2.99Å; I787-V802 HydrophobicContact CD1-CG2 3.74Å; I787-V802 HydrophobicContact CG1-CG2 3.75Å |
| 788 | L | 79.2 | Confident | 82.5 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -137.5 | 96.2 | -176 | -171.2 | 76.6 | 0 | 0 | 0 | 110.7 | K790 Y793 L799 | L788-K790 PolarHBondContact O-N 2.96Å; L788-Y793 PolarHBondContact O-OH 2.78Å; L788-L799 WeakPolarHBondContact O-CD1 3.41Å |
| 789 | S | 79.4 | Confident | 82.6 | Confident | 92 Ų | 92 | 67 Ų | 67 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | trans | -80.7 | 108.5 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 790 | K | 80.9 | Confident | 82.9 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | trans | -107.7 | 160 | 160 | -55.3 | -171.5 | -176.2 | -174 | 0 | 109.5 | N777 L788 L792 Y793 E797 | N777-K790 WeakPolarHBondContact CB-O 3.33Å; N777-K790 PolarHBondContact ND2-O 3.44Å; L788-K790 PolarHBondContact O-N 2.96Å; K790-L792 VanDerWaalsContact CB-O 3.26Å; K790-L792 WeakPolarHBondContact CB-O 3.48Å; K790-L792 WeakPolarHBondContact CD-O 3.31Å; K790-Y793 HydrophobicContact CB-CD1 4.19Å; K790-Y793 HydrophobicContact CB-CD2 4.3Å; K790-Y793 HydrophobicContact CB-CE1 3.82Å; K790-Y793 HydrophobicContact CB-CE2 3.94Å; K790-Y793 HydrophobicContact CB-CG 4.42Å; K790-Y793 HydrophobicContact CD-CD1 3.98Å; K790-Y793 HydrophobicContact CD-CE1 4.12Å; K790-Y793 HydrophobicContact CG-CD1 4.23Å; K790-Y793 HydrophobicContact CG-CE1 3.86Å; K790-Y793 PolarHBondContact N-OH 3Å; K790-Y793 WeakPolarHBondContact O-CE2 3.34Å; K790-Y793 PolarHBondContact O-OH 2.91Å; K790-E797 IonicContact NZ-OE1 3.04Å; K790-E797 PolarHBondContact NZ-OE1 3.06Å; K790-E797 IonicContact NZ-OE2 2.61Å; K790-E797 PolarHBondContact NZ-OE2 3.15Å | ||
| 791 | R | 80 | Confident | 83.1 | Confident | 203 Ų | 203 | 62.9 Ų | 62.9 | 77% | 0.766 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -74.4 | -40.5 | 168.5 | -177 | -177.4 | 173.1 | -171.6 | -4.3 | 111.6 | N777 | N777-R791 PolarHBondContact N-O 2.89Å; N777-R791 VanDerWaalsContact N-O 3.1Å |
| 792 | L | 80.3 | Confident | 83.3 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.1 | -176.5 | -63 | 177 | 0 | 0 | 0 | 108.7 | D771 S774 C775 E776 K790 | D771-L792 HydrophobicContact CB-CD1 4.36Å; D771-L792 WeakPolarHBondContact OD1-CD1 3.43Å; S774-L792 WeakPolarHBondContact OG-CB 3.39Å; C775-L792 WeakPolarHBondContact O-CA 3.45Å; E776-L792 HydrophobicContact CG-CD2 4Å; K790-L792 VanDerWaalsContact CB-O 3.26Å; K790-L792 WeakPolarHBondContact CB-O 3.48Å; K790-L792 WeakPolarHBondContact CD-O 3.31Å |
| 793 | Y | 82.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.6 | 179.1 | -64.1 | -98.3 | 0 | 0 | 0 | 109.6 | S774 C775 N777 Q786 L788 K790 L799 C817 W825 | S774-Y793 CarbonylContact C-O 3.58Å; S774-Y793 WeakPolarHBondContact CA-O 3.4Å; S774-Y793 VanDerWaalsContact CB-O 3.3Å; S774-Y793 WeakPolarHBondContact CB-O 3.3Å; C775-Y793 PolarHBondContact N-O 3.42Å; C775-Y793 PolarHBondContact O-N 2.77Å; N777-Y793 HydrophobicContact CB-CE2 4.09Å; N777-Y793 PolarHBondContact ND2-OH 2.92Å; N777-Y793 VanDerWaalsContact ND2-OH 3.13Å; Q786-Y793 PolarHBondContact OE1-OH 2.82Å; L788-Y793 PolarHBondContact O-OH 2.78Å; K790-Y793 HydrophobicContact CB-CD1 4.19Å; K790-Y793 HydrophobicContact CB-CD2 4.3Å; K790-Y793 HydrophobicContact CB-CE1 3.82Å; K790-Y793 HydrophobicContact CB-CE2 3.94Å; K790-Y793 HydrophobicContact CB-CG 4.42Å; K790-Y793 HydrophobicContact CD-CD1 3.98Å; K790-Y793 HydrophobicContact CD-CE1 4.12Å; K790-Y793 HydrophobicContact CG-CD1 4.23Å; K790-Y793 HydrophobicContact CG-CE1 3.86Å; K790-Y793 PolarHBondContact N-OH 3Å; K790-Y793 WeakPolarHBondContact O-CE2 3.34Å; K790-Y793 PolarHBondContact O-OH 2.91Å; Y793-L799 HydrophobicContact CE1-CB 4.21Å; Y793-L799 HydrophobicContact CE1-CD1 4.04Å; Y793-L799 HydrophobicContact CE1-CG 4.49Å; Y793-L799 HydrophobicContact CE2-CD2 4.09Å; Y793-L799 VanDerWaalsContact OH-CD1 3.28Å; Y793-L799 WeakPolarHBondContact OH-CD1 3.49Å; Y793-C817 PolarHBondContact O-SG 3.4Å; Y793-W825 HydrophobicContact CD1-CH2 4.13Å; Y793-W825 AromaticContact CD2-CH2 3.58Å; Y793-W825 HydrophobicContact CD2-CH2 3.58Å; Y793-W825 AromaticContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CE2-CH2 4.2Å; Y793-W825 HydrophobicContact CE2-CZ2 4.17Å; Y793-W825 AromaticContact CG-CH2 3.54Å; Y793-W825 HydrophobicContact CG-CH2 3.54Å; Y793-W825 AromaticContact CG-CZ2 3.99Å; Y793-W825 HydrophobicContact CG-CZ2 3.99Å |
| 794 | L | 80.7 | Confident | 83.5 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | trans | -72 | 154.3 | -177.5 | -67.1 | 174.2 | 0 | 0 | 0 | 111.3 | I741 E770 G796 E797 | I741-L794 HydrophobicContact CD1-CD2 4.33Å; E770-L794 HydrophobicContact CB-CD2 4.23Å; E770-L794 HydrophobicContact CG-CD2 4.38Å; L794-G796 PolarHBondContact O-N 2.85Å; L794-G796 VanDerWaalsContact O-N 3.16Å; L794-E797 HydrophobicContact CB-CG 4.16Å; L794-E797 PolarHBondContact N-OE2 3.14Å; L794-E797 WeakPolarHBondContact O-CB 3.02Å; L794-E797 PolarHBondContact O-N 3.34Å | ||
| 795 | P | 77.4 | Confident | 83.3 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 122.9 | 173.3 | -30.1 | 36.5 | 0 | 0 | 0 | 112.3 | V773 I819 | V773-P795 HydrophobicContact CB-CG 4.23Å; V773-P795 VanDerWaalsContact O-CG 3.28Å; V773-P795 WeakPolarHBondContact O-CG 3.39Å; P795-I819 HydrophobicContact CB-CB 4.2Å; P795-I819 HydrophobicContact CG-CB 4.35Å; P795-I819 HydrophobicContact CG-CG1 4.47Å |
| 796 | G | 78.9 | Confident | 82.7 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -11.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L794 K816 C817 | L794-G796 PolarHBondContact O-N 2.85Å; L794-G796 VanDerWaalsContact O-N 3.16Å; G796-K816 WeakPolarHBondContact O-CE 3.46Å; G796-C817 PolarHBondContact N-O 3.1Å |
| 797 | E | 85.3 | Confident | 82.4 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | trans | -74.4 | 150.6 | 171.9 | -63.6 | -161.9 | 122.7 | 0 | 0 | 112 | K790 L794 K816 C817 | K790-E797 IonicContact NZ-OE1 3.04Å; K790-E797 PolarHBondContact NZ-OE1 3.06Å; K790-E797 IonicContact NZ-OE2 2.61Å; K790-E797 PolarHBondContact NZ-OE2 3.15Å; L794-E797 HydrophobicContact CB-CG 4.16Å; L794-E797 PolarHBondContact N-OE2 3.14Å; L794-E797 WeakPolarHBondContact O-CB 3.02Å; L794-E797 PolarHBondContact O-N 3.34Å; E797-K816 WeakPolarHBondContact O-CA 3.3Å; E797-C817 PolarHBondContact O-N 2.98Å | ||
| 798 | S | 86.1 | Confident | 82.2 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 51% | 0.51 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.8 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | I815 | S798-I815 CarbonylContact C-O 3.06Å; S798-I815 VanDerWaalsContact CA-O 3.22Å; S798-I815 WeakPolarHBondContact CA-O 3.49Å |
| 799 | L | 86 | Confident | 82.5 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.2 | 177.7 | 178.5 | 54.2 | 0 | 0 | 0 | 110.5 | P778 Q786 L788 Y793 F801 A814 I815 W825 | P778-L799 HydrophobicContact CG-CD2 4.2Å; Q786-L799 HydrophobicContact CB-CD1 4.02Å; L788-L799 WeakPolarHBondContact O-CD1 3.41Å; Y793-L799 HydrophobicContact CE1-CB 4.21Å; Y793-L799 HydrophobicContact CE1-CD1 4.04Å; Y793-L799 HydrophobicContact CE1-CG 4.49Å; Y793-L799 HydrophobicContact CE2-CD2 4.09Å; Y793-L799 VanDerWaalsContact OH-CD1 3.28Å; Y793-L799 WeakPolarHBondContact OH-CD1 3.49Å; L799-F801 HydrophobicContact CD2-CE1 4.03Å; L799-F801 HydrophobicContact CD2-CZ 3.68Å; L799-F801 HydrophobicContact CG-CE1 4.13Å; L799-F801 HydrophobicContact CG-CE2 4.28Å; L799-F801 HydrophobicContact CG-CZ 3.8Å; L799-A814 CarbonylContact O-C 3.54Å; L799-A814 WeakPolarHBondContact O-CA 3.18Å; L799-I815 HydrophobicContact CB-CG1 4.32Å; L799-I815 PolarHBondContact N-O 3.22Å; L799-I815 PolarHBondContact O-N 2.93Å; L799-W825 HydrophobicContact CB-CH2 3.95Å; L799-W825 HydrophobicContact CB-CZ3 4.03Å; L799-W825 HydrophobicContact CD2-CH2 4.42Å |
| 800 | T | 87.6 | Confident | 82.7 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 138 | -177.3 | -45.9 | 0 | 0 | 0 | 0 | 112 | Q786 I787 V813 A814 | Q786-T800 WeakPolarHBondContact CA-O 2.98Å; I787-T800 HydrophobicContact CD1-CG2 3.59Å; I787-T800 HydrophobicContact CG1-CG2 4.3Å; I787-T800 PolarHBondContact N-O 2.99Å; T800-V813 WeakPolarHBondContact CA-O 3.42Å; T800-V813 HydrophobicContact CG2-CG2 4.27Å; T800-V813 WeakPolarHBondContact CG2-O 3.3Å; T800-A814 HydrophobicContact CG2-CB 4.18Å |
| 801 | F | 88.4 | Confident | 82.8 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 153.3 | 179.7 | -55.9 | -79.8 | 0 | 0 | 0 | 112.5 | P778 P781 Y785 Q786 L799 L809 V813 I815 L829 P830 | P778-F801 HydrophobicContact CG-CZ 4.34Å; P781-F801 HydrophobicContact CG-CD1 4.25Å; Y785-F801 WeakPolarHBondContact O-CA 3.23Å; Q786-F801 HydrophobicContact CB-CD1 4.03Å; Q786-F801 HydrophobicContact CB-CE1 4.15Å; L799-F801 HydrophobicContact CD2-CE1 4.03Å; L799-F801 HydrophobicContact CD2-CZ 3.68Å; L799-F801 HydrophobicContact CG-CE1 4.13Å; L799-F801 HydrophobicContact CG-CE2 4.28Å; L799-F801 HydrophobicContact CG-CZ 3.8Å; F801-L809 HydrophobicContact CB-CD1 4.18Å; F801-V813 PolarHBondContact N-O 3.47Å; F801-I815 HydrophobicContact CE2-CD1 3.68Å; F801-I815 HydrophobicContact CE2-CG1 3.83Å; F801-I815 HydrophobicContact CZ-CD1 3.95Å; F801-I815 HydrophobicContact CZ-CG1 4.42Å; F801-L829 HydrophobicContact CD1-CD1 4.4Å; F801-L829 HydrophobicContact CE1-CD1 3.62Å; F801-L829 HydrophobicContact CE2-CD1 4.2Å; F801-L829 HydrophobicContact CZ-CD1 3.5Å; F801-L829 VanDerWaalsContact CZ-CD1 3.5Å; F801-P830 HydrophobicContact CB-CG 3.89Å; F801-P830 HydrophobicContact CD2-CG 3.46Å; F801-P830 VanDerWaalsContact CD2-CG 3.46Å; F801-P830 HydrophobicContact CE2-CG 4.13Å; F801-P830 HydrophobicContact CG-CG 3.79Å |
| 802 | V | 88.3 | Confident | 83.2 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.5 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | G784 Y785 I787 | G784-V802 CarbonylContact C-O 3.48Å; G784-V802 VanDerWaalsContact CA-O 3.23Å; G784-V802 WeakPolarHBondContact CA-O 3.43Å; Y785-V802 HydrophobicContact CD1-CB 4.22Å; Y785-V802 WeakPolarHBondContact CD1-O 3.29Å; Y785-V802 HydrophobicContact CE1-CB 3.71Å; Y785-V802 HydrophobicContact CE1-CG1 3.72Å; Y785-V802 HydrophobicContact CE2-CB 4.12Å; Y785-V802 HydrophobicContact CE2-CG2 4.39Å; Y785-V802 PolarHBondContact N-O 2.93Å; Y785-V802 PolarHBondContact O-N 2.98Å; I787-V802 HydrophobicContact CD1-CG2 3.74Å; I787-V802 HydrophobicContact CG1-CG2 3.75Å |
| 803 | C | 87.6 | Confident | 83.4 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 14% | 0.142 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 154.3 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | Y807 L809 C832 | C803-Y807 WeakPolarHBondContact CB-O 3.5Å; C803-L809 VanDerWaalsContact SG-CA 3.56Å; C803-L809 VanDerWaalsContact SG-CB 3.52Å; C803-C832 WeakPolarHBondContact CA-SG 3.41Å; C803-C832 HydrophobicContact CB-CB 3.68Å; C803-C832 WeakPolarHBondContact CB-SG 3.38Å; C803-C832 VanDerWaalsContact SG-CA 3.53Å; C803-C832 WeakPolarHBondContact SG-CB 3.47Å; C803-C832 CovalentContact SG-SG 2.03Å; C803-C832 PolarHBondContact SG-SG 2.83Å |
| 804 | Y | 83.7 | Confident | 83.7 | Confident | 125 Ų | 125 | 67.3 Ų | 67.3 | 49% | 0.49 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 158 | 170.8 | -64.7 | -49.6 | 0 | 0 | 0 | 111.7 | N783 Y785 G806 Y807 | N783-Y804 HydrophobicContact CB-CD2 4.48Å; N783-Y804 WeakPolarHBondContact O-CB 3.33Å; N783-Y804 VanDerWaalsContact O-CD2 3.29Å; N783-Y804 WeakPolarHBondContact O-CD2 3.49Å; N783-Y804 PolarHBondContact O-N 2.91Å; Y785-Y804 AromaticContact CD1-CD1 3.91Å; Y785-Y804 HydrophobicContact CD1-CD1 3.91Å; Y785-Y804 AromaticContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CD1-CE1 3.56Å; Y785-Y804 HydrophobicContact CE1-CD1 4.32Å; Y785-Y804 HydrophobicContact CE1-CE1 4.28Å; Y785-Y804 HydrophobicContact CG-CE1 4.32Å; Y804-G806 PolarHBondContact O-N 2.9Å; Y804-Y807 PolarHBondContact O-N 3.07Å; Y804-Y807 VanDerWaalsContact O-N 3.1Å |
| 805 | Q | 79.9 | Confident | 84.1 | Confident | 206 Ų | 206 | 64.3 Ų | 64.3 | 96% | 0.963 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 121.6 | -174.1 | -169.9 | 174.7 | 9.7 | 0 | 0 | 111.8 | ||
| 806 | G | 72.9 | Confident | 84.6 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.7 | -3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y804 | Y804-G806 PolarHBondContact O-N 2.9Š|
| 807 | Y | 80.9 | Confident | 84.9 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140 | 177.6 | -62.2 | -105.2 | 0 | 0 | 0 | 110.7 | N783 C803 Y804 C832 Q833 A834 | N783-Y807 HydrophobicContact CB-CD1 3.68Å; N783-Y807 HydrophobicContact CB-CD2 4.07Å; N783-Y807 HydrophobicContact CB-CE1 3.6Å; N783-Y807 HydrophobicContact CB-CE2 4.01Å; N783-Y807 HydrophobicContact CB-CG 3.94Å; N783-Y807 VanDerWaalsContact CG-CE1 3.45Å; N783-Y807 PolarHBondContact OD1-OH 3.13Å; C803-Y807 WeakPolarHBondContact CB-O 3.5Å; Y804-Y807 PolarHBondContact O-N 3.07Å; Y804-Y807 VanDerWaalsContact O-N 3.1Å; Y807-C832 WeakPolarHBondContact CD1-O 3.5Å; Y807-Q833 CarbonylContact C-O 3.46Å; Y807-Q833 WeakPolarHBondContact CA-O 3.39Å; Y807-A834 HydrophobicContact CD1-CB 3.87Å; Y807-A834 VanDerWaalsContact CD1-N 3.31Å; Y807-A834 HydrophobicContact CE1-CB 3.64Å |
| 808 | E | 80.9 | Confident | 84.7 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.3 | 176.6 | -70.4 | 178.4 | -159.3 | 0 | 0 | 111.1 | C832 Q833 N835 | E808-C832 WeakPolarHBondContact O-CA 3.42Å; E808-Q833 PolarHBondContact N-O 3.06Å; E808-Q833 PolarHBondContact O-N 3.39Å; E808-N835 PolarHBondContact OE1-ND2 2.8Å |
| 809 | L | 85.3 | Confident | 84.4 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119 | -176.3 | -167.1 | 149.7 | 0 | 0 | 0 | 111 | F801 C803 V813 P830 | F801-L809 HydrophobicContact CB-CD1 4.18Å; C803-L809 VanDerWaalsContact SG-CA 3.56Å; C803-L809 VanDerWaalsContact SG-CB 3.52Å; L809-V813 HydrophobicContact CD1-CG2 4.47Å; L809-P830 HydrophobicContact CD1-CG 4.46Å; L809-P830 HydrophobicContact CD2-CB 3.79Å; L809-P830 HydrophobicContact CD2-CG 4.43Å; L809-P830 HydrophobicContact CG-CB 4.09Å |
| 810 | I | 83.3 | Confident | 83.5 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 101.9 | 177.8 | -55.4 | 179.4 | 0 | 0 | 0 | 108.3 | L831 Q833 | I810-L831 PolarHBondContact N-O 2.89Å; I810-L831 PolarHBondContact O-N 2.9Å; I810-Q833 HydrophobicContact CD1-CB 3.71Å; I810-Q833 HydrophobicContact CD1-CG 4.49Å |
| 811 | G | 83.7 | Confident | 82.3 | Confident | 55 Ų | 55 | 72.7 Ų | 72.7 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 145.6 | -167.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 812 | E | 87.2 | Confident | 81.5 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | trans | -71.1 | 127.2 | 169 | -62.9 | -164.9 | 139.3 | 0 | 0 | 109.5 | A814 I815 S826 | E812-A814 PolarHBondContact O-N 3.21Å; E812-I815 HydrophobicContact CB-CG2 4.05Å; E812-S826 PolarHBondContact OE2-OG 2.03Å | ||
| 813 | V | 85.5 | Confident | 81 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -65.7 | -26.4 | 177.2 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | T800 F801 L809 | T800-V813 WeakPolarHBondContact CA-O 3.42Å; T800-V813 HydrophobicContact CG2-CG2 4.27Å; T800-V813 WeakPolarHBondContact CG2-O 3.3Å; F801-V813 PolarHBondContact N-O 3.47Å; L809-V813 HydrophobicContact CD1-CG2 4.47Å |
| 814 | A | 87.8 | Confident | 80.8 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 129 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L799 T800 E812 | L799-A814 CarbonylContact O-C 3.54Å; L799-A814 WeakPolarHBondContact O-CA 3.18Å; T800-A814 HydrophobicContact CG2-CB 4.18Å; E812-A814 PolarHBondContact O-N 3.21Å |
| 815 | I | 88.7 | Confident | 81 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151.9 | 176 | 59.3 | -178 | 0 | 0 | 0 | 110.2 | P778 S798 L799 F801 E812 W825 S826 | P778-I815 HydrophobicContact CG-CD1 3.79Å; S798-I815 CarbonylContact C-O 3.06Å; S798-I815 VanDerWaalsContact CA-O 3.22Å; S798-I815 WeakPolarHBondContact CA-O 3.49Å; L799-I815 HydrophobicContact CB-CG1 4.32Å; L799-I815 PolarHBondContact N-O 3.22Å; L799-I815 PolarHBondContact O-N 2.93Å; F801-I815 HydrophobicContact CE2-CD1 3.68Å; F801-I815 HydrophobicContact CE2-CG1 3.83Å; F801-I815 HydrophobicContact CZ-CD1 3.95Å; F801-I815 HydrophobicContact CZ-CG1 4.42Å; E812-I815 HydrophobicContact CB-CG2 4.05Å; I815-W825 HydrophobicContact CB-CE3 4.16Å; I815-W825 HydrophobicContact CD1-CB 4.16Å; I815-W825 HydrophobicContact CD1-CD2 3.86Å; I815-W825 HydrophobicContact CD1-CE3 3.84Å; I815-W825 HydrophobicContact CD1-CG 4.01Å; I815-W825 HydrophobicContact CD1-CZ3 4.49Å; I815-W825 HydrophobicContact CG1-CD2 4.16Å; I815-W825 HydrophobicContact CG1-CE3 3.59Å; I815-W825 HydrophobicContact CG1-CZ3 4.03Å; I815-S826 WeakPolarHBondContact CA-OG 3.34Å |
| 816 | K | 87.8 | Confident | 81.4 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 48% | 0.478 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.4 | -174.5 | -173.3 | 171.8 | 179.6 | 169.1 | 0 | 111.4 | G796 E797 I818 W825 S826 | G796-K816 WeakPolarHBondContact O-CE 3.46Å; E797-K816 WeakPolarHBondContact O-CA 3.3Å; K816-I818 PolarHBondContact O-N 2.69Å; K816-W825 VanDerWaalsContact C-CE3 3.48Å; K816-S826 PolarHBondContact N-OG 2.88Å; K816-S826 PolarHBondContact O-N 2.92Å |
| 817 | C | 86.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.014 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.8 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | C775 Y793 G796 E797 W825 | C775-C817 HydrophobicContact CB-CB 3.8Å; C775-C817 WeakPolarHBondContact CB-SG 3.43Å; C775-C817 PolarHBondContact N-SG 2.87Å; C775-C817 VanDerWaalsContact N-SG 3.36Å; C775-C817 WeakPolarHBondContact SG-CA 3.45Å; C775-C817 WeakPolarHBondContact SG-CB 3.25Å; C775-C817 CovalentContact SG-SG 2.04Å; C775-C817 PolarHBondContact SG-SG 3.01Å; Y793-C817 PolarHBondContact O-SG 3.4Å; G796-C817 PolarHBondContact N-O 3.1Å; E797-C817 PolarHBondContact O-N 2.98Å; C817-W825 HydrophobicContact CB-CE3 4.33Å; C817-W825 HydrophobicContact CB-CH2 4.37Å; C817-W825 HydrophobicContact CB-CZ3 4.07Å |
| 818 | I | 81 | Confident | 82.1 | Confident | 66 Ų | 66 | 69 Ų | 69 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.1 | 179.9 | -56.5 | -178.6 | 0 | 0 | 0 | 108.8 | K816 F824 | K816-I818 PolarHBondContact O-N 2.69Å; I818-F824 WeakPolarHBondContact CA-O 3.06Å; I818-F824 HydrophobicContact CB-CD2 4.42Å; I818-F824 HydrophobicContact CB-CE1 4.22Å; I818-F824 HydrophobicContact CB-CE2 4.09Å; I818-F824 HydrophobicContact CB-CZ 3.99Å; I818-F824 WeakPolarHBondContact CB-O 3.06Å; I818-F824 HydrophobicContact CD1-CE2 4Å; I818-F824 HydrophobicContact CD1-CZ 4.4Å; I818-F824 HydrophobicContact CG2-CE1 3.9Å; I818-F824 HydrophobicContact CG2-CE2 4.19Å; I818-F824 HydrophobicContact CG2-CZ 3.63Å; I818-F824 PolarHBondContact N-O 2.91Å; I818-F824 PolarHBondContact O-N 3.29Å |
| 819 | I | 79.5 | Confident | 82.3 | Confident | 98 Ų | 98 | 66 Ų | 66 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | trans | -70.1 | 133.5 | 178.5 | -165.7 | 167.4 | 0 | 0 | 0 | 111.1 | V773 P795 | V773-I819 HydrophobicContact CG1-CD1 4.2Å; V773-I819 HydrophobicContact CG1-CG1 4.27Å; P795-I819 HydrophobicContact CB-CB 4.2Å; P795-I819 HydrophobicContact CG-CB 4.35Å; P795-I819 HydrophobicContact CG-CG1 4.47Å | ||
| 820 | G | 66 | Low | 82.3 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 22% | 0.216 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -169.9 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P822 S823 | G820-P822 CarbonylContact C-O 3.58Å; G820-P822 WeakPolarHBondContact CA-O 3.44Å; G820-P822 CarbonylContact O-C 3.48Å; G820-S823 PolarHBondContact O-N 3.39Å; G820-S823 VanDerWaalsContact O-N 3.14Å |
| 821 | N | 63.2 | Low | 82.4 | Confident | 146 Ų | 146 | 64.5 Ų | 64.5 | 78% | 0.781 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -123.9 | 93.1 | 171.6 | -81.5 | -7 | 0 | 0 | 0 | 109.6 | ||
| 822 | P | 71.6 | Confident | 82.5 | Confident | 110 Ų | 110 | 62.5 Ų | 62.5 | 71% | 0.714 | 35% | 0.351 | S | S | * | . | S | Bend | cis | -71.5 | 166.8 | -5.3 | 32.6 | -36.9 | 0 | 0 | 0 | 113.2 | G820 | G820-P822 CarbonylContact C-O 3.58Å; G820-P822 WeakPolarHBondContact CA-O 3.44Å; G820-P822 CarbonylContact O-C 3.48Å |
| 823 | S | 78.5 | Confident | 82.3 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | trans | -57.6 | 147.4 | 164.5 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | V773 S774 G820 | V773-S823 WeakPolarHBondContact O-CB 3.35Å; S774-S823 PolarHBondContact O-OG 3.41Å; G820-S823 PolarHBondContact O-N 3.39Å; G820-S823 VanDerWaalsContact O-N 3.14Å | ||
| 824 | F | 83.7 | Confident | 81.7 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 47% | 0.469 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.1 | -175.1 | 67.1 | -83.7 | 0 | 0 | 0 | 112.9 | I818 | I818-F824 WeakPolarHBondContact CA-O 3.06Å; I818-F824 HydrophobicContact CB-CD2 4.42Å; I818-F824 HydrophobicContact CB-CE1 4.22Å; I818-F824 HydrophobicContact CB-CE2 4.09Å; I818-F824 HydrophobicContact CB-CZ 3.99Å; I818-F824 WeakPolarHBondContact CB-O 3.06Å; I818-F824 HydrophobicContact CD1-CE2 4Å; I818-F824 HydrophobicContact CD1-CZ 4.4Å; I818-F824 HydrophobicContact CG2-CE1 3.9Å; I818-F824 HydrophobicContact CG2-CE2 4.19Å; I818-F824 HydrophobicContact CG2-CZ 3.63Å; I818-F824 PolarHBondContact N-O 2.91Å; I818-F824 PolarHBondContact O-N 3.29Å |
| 825 | W | 87.3 | Confident | 80.4 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 145.5 | 178.8 | -69 | 104.8 | 0 | 0 | 0 | 112.1 | C775 E776 P778 Y793 L799 I815 K816 C817 G827 | C775-W825 HydrophobicContact CB-CD2 4.21Å; C775-W825 HydrophobicContact CB-CH2 4.36Å; C775-W825 HydrophobicContact CB-CZ2 3.66Å; E776-W825 PolarHBondContact O-NE1 2.9Å; P778-W825 HydrophobicContact CG-CD2 4.45Å; P778-W825 HydrophobicContact CG-CZ2 4.38Å; Y793-W825 HydrophobicContact CD1-CH2 4.13Å; Y793-W825 AromaticContact CD2-CH2 3.58Å; Y793-W825 HydrophobicContact CD2-CH2 3.58Å; Y793-W825 AromaticContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CD2-CZ2 3.57Å; Y793-W825 HydrophobicContact CE2-CH2 4.2Å; Y793-W825 HydrophobicContact CE2-CZ2 4.17Å; Y793-W825 AromaticContact CG-CH2 3.54Å; Y793-W825 HydrophobicContact CG-CH2 3.54Å; Y793-W825 AromaticContact CG-CZ2 3.99Å; Y793-W825 HydrophobicContact CG-CZ2 3.99Å; L799-W825 HydrophobicContact CB-CH2 3.95Å; L799-W825 HydrophobicContact CB-CZ3 4.03Å; L799-W825 HydrophobicContact CD2-CH2 4.42Å; I815-W825 HydrophobicContact CB-CE3 4.16Å; I815-W825 HydrophobicContact CD1-CB 4.16Å; I815-W825 HydrophobicContact CD1-CD2 3.86Å; I815-W825 HydrophobicContact CD1-CE3 3.84Å; I815-W825 HydrophobicContact CD1-CG 4.01Å; I815-W825 HydrophobicContact CD1-CZ3 4.49Å; I815-W825 HydrophobicContact CG1-CD2 4.16Å; I815-W825 HydrophobicContact CG1-CE3 3.59Å; I815-W825 HydrophobicContact CG1-CZ3 4.03Å; K816-W825 VanDerWaalsContact C-CE3 3.48Å; C817-W825 HydrophobicContact CB-CE3 4.33Å; C817-W825 HydrophobicContact CB-CH2 4.37Å; C817-W825 HydrophobicContact CB-CZ3 4.07Å; W825-G827 PolarHBondContact O-N 2.95Å |
| 826 | S | 87.9 | Confident | 78.7 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -56.9 | -30.2 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | E812 I815 K816 | E812-S826 PolarHBondContact OE2-OG 2.03Å; I815-S826 WeakPolarHBondContact CA-OG 3.34Å; K816-S826 PolarHBondContact N-OG 2.88Å; K816-S826 PolarHBondContact O-N 2.92Å |
| 827 | G | 83.9 | Confident | 76.5 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -150.5 | 170.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W825 | W825-G827 PolarHBondContact O-N 2.95Š|
| 828 | P | 84.8 | Confident | 74.1 | Confident | 113 Ų | 113 | 82.4 Ų | 82.4 | 73% | 0.734 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 164.9 | 175.5 | 31.8 | -36.2 | 0 | 0 | 0 | 111.8 | ||
| 829 | L | 85.1 | Confident | 72 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 30% | 0.304 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 127.4 | 169.4 | -169.8 | 74.1 | 0 | 0 | 0 | 109.6 | P778 F801 | P778-L829 HydrophobicContact CG-CD1 4.45Å; F801-L829 HydrophobicContact CD1-CD1 4.4Å; F801-L829 HydrophobicContact CE1-CD1 3.62Å; F801-L829 HydrophobicContact CE2-CD1 4.2Å; F801-L829 HydrophobicContact CZ-CD1 3.5Å; F801-L829 VanDerWaalsContact CZ-CD1 3.5Å |
| 830 | P | 86.1 | Confident | 69.9 | Low | 2 Ų | 2 | 88.3 Ų | 88.3 | 1% | 0.013 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -70 | 162.2 | 178.9 | 29.8 | -35.4 | 0 | 0 | 0 | 111.6 | P781 F801 L809 | P781-P830 VanDerWaalsContact CB-O 3.24Å; P781-P830 WeakPolarHBondContact CB-O 3.45Å; F801-P830 HydrophobicContact CB-CG 3.89Å; F801-P830 HydrophobicContact CD2-CG 3.46Å; F801-P830 VanDerWaalsContact CD2-CG 3.46Å; F801-P830 HydrophobicContact CE2-CG 4.13Å; F801-P830 HydrophobicContact CG-CG 3.79Å; L809-P830 HydrophobicContact CD1-CG 4.46Å; L809-P830 HydrophobicContact CD2-CB 3.79Å; L809-P830 HydrophobicContact CD2-CG 4.43Å; L809-P830 HydrophobicContact CG-CB 4.09Å |
| 831 | L | 85.6 | Confident | 68.6 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.5 | -179.8 | -65.3 | 169.1 | 0 | 0 | 0 | 110.6 | I810 | I810-L831 PolarHBondContact N-O 2.89Å; I810-L831 PolarHBondContact O-N 2.9Å |
| 832 | C | 85.9 | Confident | 67.2 | Low | 12 Ų | 12 | 95.9 Ų | 95.9 | 8% | 0.081 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 103.7 | 172.1 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | D782 N783 C803 Y807 E808 | D782-C832 WeakPolarHBondContact O-CB 3.46Å; N783-C832 HydrophobicContact CB-CB 4.49Å; C803-C832 WeakPolarHBondContact CA-SG 3.41Å; C803-C832 HydrophobicContact CB-CB 3.68Å; C803-C832 WeakPolarHBondContact CB-SG 3.38Å; C803-C832 VanDerWaalsContact SG-CA 3.53Å; C803-C832 WeakPolarHBondContact SG-CB 3.47Å; C803-C832 CovalentContact SG-SG 2.03Å; C803-C832 PolarHBondContact SG-SG 2.83Å; Y807-C832 WeakPolarHBondContact CD1-O 3.5Å; E808-C832 WeakPolarHBondContact O-CA 3.42Å |
| 833 | Q | 81.4 | Confident | 65.4 | Low | 125 Ų | 125 | 95 Ų | 95 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.7 | -177.2 | -175.6 | 169.2 | -31.7 | 0 | 0 | 111.1 | Y807 E808 I810 N835 | Y807-Q833 CarbonylContact C-O 3.46Å; Y807-Q833 WeakPolarHBondContact CA-O 3.39Å; E808-Q833 PolarHBondContact N-O 3.06Å; E808-Q833 PolarHBondContact O-N 3.39Å; I810-Q833 HydrophobicContact CD1-CB 3.71Å; I810-Q833 HydrophobicContact CD1-CG 4.49Å; Q833-N835 PolarHBondContact O-N 3.2Å |
| 834 | A | 73.4 | Confident | 63.5 | Low | 40 Ų | 40 | 101.4 Ų | 101.4 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y807 R836 | Y807-A834 HydrophobicContact CD1-CB 3.87Å; Y807-A834 VanDerWaalsContact CD1-N 3.31Å; Y807-A834 HydrophobicContact CE1-CB 3.64Å; A834-R836 PolarHBondContact O-N 2.93Å |
| 835 | N | 60.7 | Low | 61.2 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 120 | 177.6 | -167.5 | -22.5 | 0 | 0 | 0 | 109.6 | E808 Q833 | E808-N835 PolarHBondContact OE1-ND2 2.8Å; Q833-N835 PolarHBondContact O-N 3.2Å |
| 836 | R | 52.7 | Low | 58.8 | Low | 228 Ų | 228 | 109.9 Ų | 109.9 | 86% | 0.86 | 60% | 0.602 | S | S | * | * | trans | -134.3 | 92.7 | -178.4 | -97.4 | -173.4 | 159.4 | -175.6 | -5.6 | 109.3 | A834 | A834-R836 PolarHBondContact O-N 2.93Š| ||
| 837 | D | 42.6 | Very low | 56.5 | Low | 152 Ų | 152 | 112.1 Ų | 112.1 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | trans | -57.6 | 151.1 | 170 | -82.5 | -56 | 0 | 0 | 0 | 112.4 | ||||
| 838 | C | 35.4 | Very low | 54 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -71.5 | 144.7 | -170.6 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 839 | F | 36.1 | Very low | 51.8 | Low | 223 Ų | 223 | 119.4 Ų | 119.4 | 98% | 0.978 | 66% | 0.661 | S | S | * | * | -177.4 | 135 | 129.7 | -99.7 | -64.4 | 0 | 0 | 0 | 112.6 | |||||
| 840 | G | 35.7 | Very low | 49.5 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | trans | 101.6 | 66.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 841 | N | 38.7 | Very low | 47.2 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | 51.9 | 154.8 | 134.3 | -60.4 | -3.9 | 0 | 0 | 0 | 124.6 | ||||
| 842 | H | 35.2 | Very low | 44.7 | Very low | 183 Ų | 183 | 126 Ų | 126 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | 77.4 | 142.6 | 168.6 | -54.2 | -75.6 | 0 | 0 | 0 | 116.4 | ||||
| 843 | A | 32.9 | Very low | 42.7 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -137.2 | 176.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 844 | L | 38.7 | Very low | 41.1 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -73 | 152 | 166.9 | -83.9 | 71.7 | 0 | 0 | 0 | 110.7 | ||||
| 845 | E | 35.5 | Very low | 39.7 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -137.8 | 158.4 | 143.6 | -147.8 | 156.2 | -132.5 | 0 | 0 | 109.5 | ||||
| 846 | V | 36.3 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -118.5 | 152.9 | -162.9 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 847 | A | 40.9 | Very low | 38.8 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -55.8 | 151.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 848 | E | 31.2 | Very low | 39.4 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -129.6 | 144.5 | 156.6 | -171.7 | 162.7 | -128.3 | 0 | 0 | 109.8 | ||||
| 849 | A | 38.1 | Very low | 40.5 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -149.6 | 104.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 850 | T | 35.4 | Very low | 41.6 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 111.6 | 164.8 | 39.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 851 | A | 38 | Very low | 42.7 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | 76.4 | 103.9 | 69.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 852 | G | 33.8 | Very low | 43.8 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -172.1 | 80.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 853 | S | 43.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -81.3 | 154.1 | 171 | 56 | 0 | 0 | 0 | 0 | 111 | ||||
| 854 | P | 47.7 | Very low | 46.7 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | -134.2 | 174.4 | 94.7 | 38 | -28.2 | 0 | 0 | 0 | 114.3 | |||||
| 855 | L | 45.8 | Very low | 48.1 | Very low | 159 Ų | 159 | 117 Ų | 117 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -75.2 | 156 | 174.9 | -52.8 | 88.5 | 0 | 0 | 0 | 110 | ||||
| 856 | D | 43.8 | Very low | 50 | Low | 166 Ų | 166 | 112 Ų | 112 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | -168.4 | 171.9 | 79.8 | -154.3 | -9.9 | 0 | 0 | 0 | 113.3 | |||||
| 857 | G | 48.8 | Very low | 51.6 | Low | 66 Ų | 66 | 111 Ų | 111 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 99.1 | -18.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 858 | G | 55.7 | Low | 53.3 | Low | 56 Ų | 56 | 110.6 Ų | 110.6 | 58% | 0.577 | 70% | 0.695 | S | S | * | * | trans | -75 | -37.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | V860 | G858-V860 PolarHBondContact O-N 2.04Š| ||
| 859 | N | 59.8 | Low | 55.4 | Low | 149 Ų | 149 | 106.4 Ų | 106.4 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -92.2 | 2.4 | -154.5 | -75.9 | -11.2 | 0 | 0 | 0 | 117.2 | ||
| 860 | V | 59.3 | Low | 57.4 | Low | 103 Ų | 103 | 106.8 Ų | 106.8 | 62% | 0.624 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -84.9 | -41 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | G858 L862 A863 I864 | G858-V860 PolarHBondContact O-N 2.04Å; V860-L862 PolarHBondContact O-N 2.63Å; V860-A863 PolarHBondContact O-N 2.84Å; V860-I864 HydrophobicContact CG1-CD1 3.91Å; V860-I864 WeakPolarHBondContact O-CG1 3.27Å; V860-I864 PolarHBondContact O-N 3.24Å |
| 861 | A | 57.2 | Low | 59.5 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A863 I864 F865 | A861-A863 PolarHBondContact O-N 2.89Å; A861-I864 PolarHBondContact O-N 3.1Å; A861-F865 PolarHBondContact O-N 3.21Å; A861-F865 VanDerWaalsContact O-N 3.1Å |
| 862 | L | 63.3 | Low | 61.2 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 64% | 0.644 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.3 | -41.2 | -179.3 | -158 | 90.6 | 0 | 0 | 0 | 111.9 | V860 F865 I866 | V860-L862 PolarHBondContact O-N 2.63Å; L862-F865 PolarHBondContact O-N 3.27Å; L862-I866 HydrophobicContact CD2-CD1 4.2Å; L862-I866 HydrophobicContact CG-CD1 4.19Å; L862-I866 WeakPolarHBondContact O-CG1 3.13Å; L862-I866 PolarHBondContact O-N 2.87Å; L862-I866 VanDerWaalsContact O-N 3.15Å |
| 863 | A | 61.8 | Low | 63.4 | Low | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.6 | -42.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V860 A861 L867 | V860-A863 PolarHBondContact O-N 2.84Å; A861-A863 PolarHBondContact O-N 2.89Å; A863-L867 WeakPolarHBondContact O-CB 3.35Å; A863-L867 PolarHBondContact O-N 2.73Å; A863-L867 VanDerWaalsContact O-N 3.16Å |
| 864 | I | 67.3 | Low | 65 | Low | 101 Ų | 101 | 104.6 Ų | 104.6 | 52% | 0.518 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -44.9 | 177.1 | -64.9 | 168.9 | 0 | 0 | 0 | 110.7 | V860 A861 I866 L867 V868 | V860-I864 HydrophobicContact CG1-CD1 3.91Å; V860-I864 WeakPolarHBondContact O-CG1 3.27Å; V860-I864 PolarHBondContact O-N 3.24Å; A861-I864 PolarHBondContact O-N 3.1Å; I864-I866 PolarHBondContact O-N 2.94Å; I864-L867 PolarHBondContact O-N 2.89Å; I864-V868 HydrophobicContact CG2-CG2 4.34Å; I864-V868 WeakPolarHBondContact O-CG2 3.45Å; I864-V868 PolarHBondContact O-N 2.85Å |
| 865 | F | 66.8 | Low | 66.4 | Low | 154 Ų | 154 | 104.7 Ų | 104.7 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.6 | -41.5 | -178.1 | -127.8 | -87.5 | 0 | 0 | 0 | 112.8 | A861 L862 L869 | A861-F865 PolarHBondContact O-N 3.21Å; A861-F865 VanDerWaalsContact O-N 3.1Å; L862-F865 PolarHBondContact O-N 3.27Å; F865-L869 HydrophobicContact CD1-CD1 4.37Å; F865-L869 PolarHBondContact O-N 3.22Å |
| 866 | I | 75.8 | Confident | 67.7 | Low | 94 Ų | 94 | 98.9 Ų | 98.9 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.7 | -39.7 | 176.6 | -67.3 | 166.7 | 0 | 0 | 0 | 111 | L862 I864 L869 L870 | L862-I866 HydrophobicContact CD2-CD1 4.2Å; L862-I866 HydrophobicContact CG-CD1 4.19Å; L862-I866 WeakPolarHBondContact O-CG1 3.13Å; L862-I866 PolarHBondContact O-N 2.87Å; L862-I866 VanDerWaalsContact O-N 3.15Å; I864-I866 PolarHBondContact O-N 2.94Å; I866-L869 PolarHBondContact O-N 2.94Å; I866-L870 HydrophobicContact CG2-CD1 4.11Å; I866-L870 WeakPolarHBondContact O-CG 3.41Å; I866-L870 PolarHBondContact O-N 2.99Å |
| 867 | L | 70.8 | Confident | 69.1 | Low | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.6 | -36.5 | -179.5 | -146.2 | 158.6 | 0 | 0 | 0 | 111.8 | A863 I864 L870 L871 | A863-L867 WeakPolarHBondContact O-CB 3.35Å; A863-L867 PolarHBondContact O-N 2.73Å; A863-L867 VanDerWaalsContact O-N 3.16Å; I864-L867 PolarHBondContact O-N 2.89Å; L867-L870 PolarHBondContact O-N 3.2Å; L867-L871 HydrophobicContact CD2-CD1 3.81Å; L867-L871 HydrophobicContact CD2-CG 4.42Å; L867-L871 WeakPolarHBondContact O-CB 3.21Å; L867-L871 PolarHBondContact O-N 3.31Å |
| 868 | V | 75.7 | Confident | 70 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | I864 L871 S872 | I864-V868 HydrophobicContact CG2-CG2 4.34Å; I864-V868 WeakPolarHBondContact O-CG2 3.45Å; I864-V868 PolarHBondContact O-N 2.85Å; V868-L871 PolarHBondContact O-N 3.17Å; V868-S872 PolarHBondContact O-N 3.43Å; V868-S872 PolarHBondContact O-OG 3.48Å |
| 869 | L | 76 | Confident | 70.3 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -39.9 | 174.1 | -90.7 | 163.2 | 0 | 0 | 0 | 112.7 | F865 I866 S872 V873 | F865-L869 HydrophobicContact CD1-CD1 4.37Å; F865-L869 PolarHBondContact O-N 3.22Å; I866-L869 PolarHBondContact O-N 2.94Å; L869-S872 PolarHBondContact O-N 2.8Å; L869-S872 PolarHBondContact O-OG 2.91Å; L869-S872 VanDerWaalsContact O-OG 3.11Å; L869-V873 WeakPolarHBondContact O-CB 3.17Å; L869-V873 VanDerWaalsContact O-CG2 3.3Å; L869-V873 WeakPolarHBondContact O-CG2 3.48Å; L869-V873 PolarHBondContact O-N 3.24Å; L869-V873 VanDerWaalsContact O-N 3.07Å |
| 870 | L | 78.5 | Confident | 70.4 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 173.9 | -77.1 | 165.8 | 0 | 0 | 0 | 111.8 | I866 L867 L874 | I866-L870 HydrophobicContact CG2-CD1 4.11Å; I866-L870 WeakPolarHBondContact O-CG 3.41Å; I866-L870 PolarHBondContact O-N 2.99Å; L867-L870 PolarHBondContact O-N 3.2Å; L870-L874 WeakPolarHBondContact O-CB 3.33Å; L870-L874 WeakPolarHBondContact O-CD1 3.42Å; L870-L874 VanDerWaalsContact O-CG 3.27Å; L870-L874 WeakPolarHBondContact O-CG 3.26Å; L870-L874 PolarHBondContact O-N 2.75Å |
| 871 | L | 79.4 | Confident | 70.3 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 175.8 | -87.3 | 164.6 | 0 | 0 | 0 | 113 | L867 V868 L874 L875 | L867-L871 HydrophobicContact CD2-CD1 3.81Å; L867-L871 HydrophobicContact CD2-CG 4.42Å; L867-L871 WeakPolarHBondContact O-CB 3.21Å; L867-L871 PolarHBondContact O-N 3.31Å; V868-L871 PolarHBondContact O-N 3.17Å; L871-L874 PolarHBondContact O-N 2.87Å; L871-L875 WeakPolarHBondContact O-CB 3.42Å; L871-L875 WeakPolarHBondContact O-CG 3.28Å; L871-L875 PolarHBondContact O-N 3Å |
| 872 | S | 74.6 | Confident | 70.4 | Confident | 65 Ų | 65 | 99.7 Ų | 99.7 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 179.2 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | V868 L869 G876 | V868-S872 PolarHBondContact O-N 3.43Å; V868-S872 PolarHBondContact O-OG 3.48Å; L869-S872 PolarHBondContact O-N 2.8Å; L869-S872 PolarHBondContact O-OG 2.91Å; L869-S872 VanDerWaalsContact O-OG 3.11Å; S872-G876 PolarHBondContact O-N 3.07Å |
| 873 | V | 79.6 | Confident | 70.1 | Confident | 101 Ų | 101 | 97.9 Ų | 97.9 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | L869 G877 | L869-V873 WeakPolarHBondContact O-CB 3.17Å; L869-V873 VanDerWaalsContact O-CG2 3.3Å; L869-V873 WeakPolarHBondContact O-CG2 3.48Å; L869-V873 PolarHBondContact O-N 3.24Å; L869-V873 VanDerWaalsContact O-N 3.07Å; V873-G877 PolarHBondContact O-N 3.13Å |
| 874 | L | 77.6 | Confident | 69.6 | Low | 123 Ų | 123 | 105.6 Ų | 105.6 | 64% | 0.644 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -43.2 | 176.1 | -77.9 | 167.5 | 0 | 0 | 0 | 112.5 | L870 L871 G877 A878 | L870-L874 WeakPolarHBondContact O-CB 3.33Å; L870-L874 WeakPolarHBondContact O-CD1 3.42Å; L870-L874 VanDerWaalsContact O-CG 3.27Å; L870-L874 WeakPolarHBondContact O-CG 3.26Å; L870-L874 PolarHBondContact O-N 2.75Å; L871-L874 PolarHBondContact O-N 2.87Å; L874-G877 PolarHBondContact O-N 3.38Å; L874-A878 WeakPolarHBondContact O-CB 3.17Å; L874-A878 PolarHBondContact O-N 2.85Å |
| 875 | L | 75.9 | Confident | 68.5 | Low | 123 Ų | 123 | 105 Ų | 105 | 64% | 0.644 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.2 | -40.9 | 176.8 | -75 | 165.6 | 0 | 0 | 0 | 111.9 | L871 A878 Y879 | L871-L875 WeakPolarHBondContact O-CB 3.42Å; L871-L875 WeakPolarHBondContact O-CG 3.28Å; L871-L875 PolarHBondContact O-N 3Å; L875-A878 PolarHBondContact O-N 2.92Å; L875-Y879 WeakPolarHBondContact O-CB 3.48Å; L875-Y879 PolarHBondContact O-N 3.14Å |
| 876 | G | 74.7 | Confident | 67.1 | Low | 37 Ų | 37 | 108.5 Ų | 108.5 | 38% | 0.381 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.5 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S872 Y879 V880 | S872-G876 PolarHBondContact O-N 3.07Å; G876-Y879 PolarHBondContact O-N 2.73Å; G876-V880 WeakPolarHBondContact O-CG2 3.5Å; G876-V880 PolarHBondContact O-N 3.38Å; G876-V880 VanDerWaalsContact O-N 3.09Å |
| 877 | G | 72.4 | Confident | 65.3 | Low | 42 Ų | 42 | 115 Ų | 115 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | V873 L874 V880 Y881 | V873-G877 PolarHBondContact O-N 3.13Å; L874-G877 PolarHBondContact O-N 3.38Å; G877-V880 PolarHBondContact O-N 2.81Å; G877-Y881 WeakPolarHBondContact O-CB 3.49Å; G877-Y881 PolarHBondContact O-N 3.3Å |
| 878 | A | 67.8 | Low | 63.4 | Low | 51 Ų | 51 | 118.8 Ų | 118.8 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L874 L875 Y881 V882 | L874-A878 WeakPolarHBondContact O-CB 3.17Å; L874-A878 PolarHBondContact O-N 2.85Å; L875-A878 PolarHBondContact O-N 2.92Å; A878-Y881 PolarHBondContact O-N 3.43Å; A878-V882 WeakPolarHBondContact O-CG2 3.37Å; A878-V882 PolarHBondContact O-N 3.13Å |
| 879 | Y | 62.4 | Low | 61.4 | Low | 165 Ų | 165 | 119.8 Ų | 119.8 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.2 | -43.8 | 176.8 | -175.3 | -101.1 | 0 | 0 | 0 | 112.1 | L875 G876 T883 | L875-Y879 WeakPolarHBondContact O-CB 3.48Å; L875-Y879 PolarHBondContact O-N 3.14Å; G876-Y879 PolarHBondContact O-N 2.73Å; Y879-T883 HydrophobicContact CE1-CG2 4.29Å; Y879-T883 HydrophobicContact CE2-CG2 4.32Å; Y879-T883 WeakPolarHBondContact O-CB 3.46Å; Y879-T883 WeakPolarHBondContact O-CG2 3.45Å; Y879-T883 PolarHBondContact O-N 3.04Å; Y879-T883 PolarHBondContact O-OG1 2.61Å |
| 880 | V | 62.3 | Low | 59.2 | Low | 87 Ų | 87 | 121.4 Ų | 121.4 | 53% | 0.527 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66 | -39 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | G876 G877 T883 R884 | G876-V880 WeakPolarHBondContact O-CG2 3.5Å; G876-V880 PolarHBondContact O-N 3.38Å; G876-V880 VanDerWaalsContact O-N 3.09Å; G877-V880 PolarHBondContact O-N 2.81Å; V880-T883 WeakPolarHBondContact CA-OG1 3.21Å; V880-T883 PolarHBondContact O-OG1 2.87Å; V880-R884 PolarHBondContact O-N 3.41Å |
| 881 | Y | 56.6 | Low | 57 | Low | 171 Ų | 171 | 124.2 Ų | 124.2 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.6 | -44.4 | 177.2 | -173.9 | -104.2 | 0 | 0 | 0 | 112.4 | G877 A878 C885 | G877-Y881 WeakPolarHBondContact O-CB 3.49Å; G877-Y881 PolarHBondContact O-N 3.3Å; A878-Y881 PolarHBondContact O-N 3.43Å; Y881-C885 PolarHBondContact O-N 2.82Å |
| 882 | V | 58.3 | Low | 54.6 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 67% | 0.673 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.1 | -38.3 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | A878 | A878-V882 WeakPolarHBondContact O-CG2 3.37Å; A878-V882 PolarHBondContact O-N 3.13Å |
| 883 | T | 57.3 | Low | 52.7 | Low | 85 Ų | 85 | 133.6 Ų | 133.6 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -79.3 | -16.2 | -176.8 | 51 | 0 | 0 | 0 | 0 | 114.9 | Y879 V880 | Y879-T883 HydrophobicContact CE1-CG2 4.29Å; Y879-T883 HydrophobicContact CE2-CG2 4.32Å; Y879-T883 WeakPolarHBondContact O-CB 3.46Å; Y879-T883 WeakPolarHBondContact O-CG2 3.45Å; Y879-T883 PolarHBondContact O-N 3.04Å; Y879-T883 PolarHBondContact O-OG1 2.61Å; V880-T883 WeakPolarHBondContact CA-OG1 3.21Å; V880-T883 PolarHBondContact O-OG1 2.87Å |
| 884 | R | 51.2 | Low | 51.4 | Low | 220 Ų | 220 | 133.7 Ų | 133.7 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -116.7 | -3.7 | -178.5 | -100.6 | -170.2 | 174.7 | -158.9 | -1.1 | 117.5 | V880 | V880-R884 PolarHBondContact O-N 3.41Å |
| 885 | C | 45.8 | Very low | 49.2 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -129.9 | 25.4 | -170.7 | -76.3 | 0 | 0 | 0 | 0 | 117.4 | Y881 | Y881-C885 PolarHBondContact O-N 2.82Š|
| 886 | R | 36.9 | Very low | 47 | Very low | 228 Ų | 228 | 135.4 Ų | 135.4 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -148.8 | 40.3 | 173.8 | -134.1 | 177.9 | -165.3 | 179.7 | 5 | 120.4 | ||||
| 887 | Y | 36.6 | Very low | 44.7 | Very low | 230 Ų | 230 | 144 Ų | 144 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | trans | -126.7 | 89.8 | 160 | -105.5 | -84 | 0 | 0 | 0 | 112.2 | ||||
| 888 | H | 32.6 | Very low | 43.3 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | trans | 147.6 | 130.8 | 167.5 | -86.4 | -42.5 | 0 | 0 | 0 | 107.3 | ||||
| 889 | T | 32.3 | Very low | 41.7 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | -138 | -175.4 | 2 | 52.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 890 | N | 30 | Very low | 41.3 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | -169.9 | 131.2 | 29.2 | -135.9 | -35.8 | 0 | 0 | 0 | 112.6 | ||||
| 891 | L | 32.5 | Very low | 39.7 | Very low | 162 Ų | 162 | 157 Ų | 157 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -178.9 | 103 | 155.5 | -99 | 138.9 | 0 | 0 | 0 | 106.5 | ||||
| 892 | R | 30.1 | Very low | 38.3 | Very low | 208 Ų | 208 | 158.1 Ų | 158.1 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | 67.6 | 127.4 | 85.5 | -84.6 | -168.9 | 171.2 | -167.8 | -2.2 | 113 | |||||
| 893 | L | 33.3 | Very low | 37 | Very low | 145 Ų | 145 | 159.6 Ų | 159.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -149.6 | -168.6 | 10.2 | -74.3 | 116.7 | 0 | 0 | 0 | 109.8 | ||||
| 894 | P | 53.5 | Low | 35.7 | Very low | 102 Ų | 102 | 161.8 Ų | 161.8 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | -116.6 | 174 | -62.9 | 30.8 | -11.4 | 0 | 0 | 0 | 111.6 | |||||
| 895 | L | 31.6 | Very low | 34.6 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | -174 | 135.4 | 75.9 | -81.5 | 165.5 | 0 | 0 | 0 | 113.2 | |||||
| 896 | I | 28.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 158 Ų | 158 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | 32.9 | 106.5 | 131.7 | -51.6 | -179.9 | 0 | 0 | 0 | 118 | ||||
| 897 | Y | 27.7 | Very low | 33.6 | Very low | 218 Ų | 218 | 154.8 Ų | 154.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | 64.5 | 147.7 | 83.9 | -89.6 | -83.7 | 0 | 0 | 0 | 116.4 | |||||
| 898 | P | 43.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -136.2 | -178.8 | 2.6 | 45.2 | -28.3 | 0 | 0 | 0 | 117.3 | ||||
| 899 | H | 32.7 | Very low | 33.3 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -98.3 | -166.7 | 156.7 | -58.7 | -71.3 | 0 | 0 | 0 | 109.9 | ||||
| 900 | P | 55.3 | Low | 33.1 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | -135.3 | -168.3 | -12.7 | 21.1 | 6.6 | 0 | 0 | 0 | 115.2 | ||||
| 901 | Y | 27.7 | Very low | 33.1 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | 97.3 | 120.2 | 147.3 | -99.8 | -71 | 0 | 0 | 0 | 123.4 | ||||
| 902 | R | 27.6 | Very low | 33 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | 89.8 | 125.8 | 134.6 | -119 | 176.3 | -172.8 | -139.1 | 10.9 | 122.9 | ||||
| 903 | Q | 30.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 144 Ų | 144 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | trans | 65.6 | 160.6 | 148.4 | -77.3 | 169.6 | -89.7 | 0 | 0 | 119.6 | ||||
| 904 | I | 30.1 | Very low | 33.9 | Very low | 131 Ų | 131 | 144 Ų | 144 | 67% | 0.672 | 73% | 0.728 | S | S | * | * | cis | -165 | 153.5 | -41.9 | -144.9 | 171.9 | 0 | 0 | 0 | 109.4 | ||||
| 905 | T | 28.7 | Very low | 32.6 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | trans | 62 | 124.4 | 165.5 | 52.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 906 | V | 31.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | 79.5 | 136.6 | 102.1 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 907 | E | 29 | Very low | 33 | Very low | 162 Ų | 162 | 151 Ų | 151 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | cis | -157.5 | 159 | 45.9 | -144.7 | 134.9 | -126.2 | 0 | 0 | 112.1 | ||||
| 908 | T | 31.6 | Very low | 33.2 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | 37.9 | 149.4 | 141.5 | 53.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 909 | E | 31.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | cis | -175.7 | 173.6 | -12.8 | -121.9 | 176.1 | 164.6 | 0 | 0 | 110.9 | ||||
| 910 | F | 28.1 | Very low | 32.7 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | 68.5 | 155.5 | 151.4 | -88.9 | -70.1 | 0 | 0 | 0 | 123.9 | ||||
| 911 | D | 31.4 | Very low | 31.6 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | -82.4 | 151.8 | -162.1 | -66.2 | -88.3 | 0 | 0 | 0 | 117.7 | ||||
| 912 | N | 29.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | 34.7 | 157.8 | 116.7 | -128.1 | 13.3 | 0 | 0 | 0 | 120.4 | |||||
| 913 | P | 49 | Very low | 32.1 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | cis | -141.8 | -175.8 | 3.8 | 44.7 | -25.9 | 0 | 0 | 0 | 117.2 | ||||
| 914 | L | 32.6 | Very low | 32.1 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 48.3 | 124.9 | 146.8 | -76.6 | 158.8 | 0 | 0 | 0 | 121.4 | ||||
| 915 | Y | 27.1 | Very low | 32.2 | Very low | 214 Ų | 214 | 145.2 Ų | 145.2 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | -170 | 164.3 | 101.4 | -119.4 | -85.2 | 0 | 0 | 0 | 113.5 | |||||
| 916 | E | 36.3 | Very low | 32.1 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -89.7 | 140.3 | 172.7 | -62.3 | 170.8 | 111.3 | 0 | 0 | 112.9 | ||||
| 917 | T | 32.1 | Very low | 32 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | trans | -177.2 | 150.9 | 140.7 | 15.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 918 | G | 31.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | 124.3 | 69.8 | 33.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 919 | G | 31 | Very low | 32.2 | Very low | 86 Ų | 86 | 151.6 Ų | 151.6 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -89.1 | 120.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 920 | D | 33.9 | Very low | 32.3 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -133.7 | 114.9 | 160.7 | -170.3 | 4.7 | 0 | 0 | 0 | 108.6 | ||||
| 921 | T | 32.1 | Very low | 32.5 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -144.1 | 83.3 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 922 | R | 35 | Very low | 32.6 | Very low | 217 Ų | 217 | 151.6 Ų | 151.6 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | trans | -64.5 | 146.9 | 153.1 | -56.7 | 176.2 | -179.7 | -172.3 | -2.1 | 108.6 | ||||
| 923 | E | 32.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 73% | 0.729 | 82% | 0.817 | S | S | * | * | trans | -169.4 | 146.8 | 137.2 | -110 | 167.9 | -162.5 | 0 | 0 | 114.6 | ||||
| 924 | Y | 30.6 | Very low | 31.7 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 74% | 0.737 | 83% | 0.83 | S | S | * | * | trans | 53.9 | 107.4 | 161.2 | -52.7 | -51.3 | 0 | 0 | 0 | 123.4 | ||||
| 925 | E | 30.4 | Very low | 31.6 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -43.5 | 142.7 | 137 | 175.7 | 177.7 | -132.1 | 0 | 0 | 113.2 | ||||
| 926 | V | 28.1 | Very low | 32 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | -135.3 | 128.9 | 170.1 | 177.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 927 | S | 29.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | trans | -91.4 | 141.2 | 177.7 | 45 | 0 | 0 | 0 | 0 | 113 | ||||
| 928 | I | 33 | Very low | 31.6 | Very low | 240 Ų | 240 | 150.9 Ų | 150.9 | 100% | 1.231 | 83% | 0.832 | S | S | * | * | trans | -138.3 | 0 | 151.7 | -59 | -175.5 | 0 | 0 | 0 | 106.3 |
Retrieved 928 of 928 residues in 1854.3 ms
(Link to these results)