| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.9 | Very low | 28.9 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 97% | 0.966 | 76% | 0.758 | S | S | * | * | 0 | 47.5 | 0 | -54.1 | -38 | -176 | 0 | 0 | 110.5 | |||||
| 2 | D | 29.4 | Very low | 28.6 | Very low | 122 Ų | 122 | 127 Ų | 127 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | 76.6 | 96.9 | 105 | -43 | -7.9 | 0 | 0 | 0 | 116.9 | |||||
| 3 | D | 31.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | 90 | 124.4 | 107.1 | -73.3 | 7.9 | 0 | 0 | 0 | 122.6 | |||||
| 4 | L | 34.4 | Very low | 28 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | 73.2 | 120.8 | 131.1 | -89.3 | 76.7 | 0 | 0 | 0 | 122.4 | ||||
| 5 | T | 33.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 125 Ų | 125 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | 91.9 | 129.8 | 124.5 | 51.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 6 | A | 28 | Very low | 27.7 | Very low | 103 Ų | 103 | 130 Ų | 130 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 73.1 | 159.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 7 | G | 26.4 | Very low | 28.1 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 156.9 | -8.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 8 | T | 27 | Very low | 27.8 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | 16.7 | 96.1 | 159.4 | -42.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 9 | S | 25.6 | Very low | 27.8 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | trans | 82.7 | 148.7 | 133.5 | 85.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 10 | K | 26.8 | Very low | 27.7 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | 70.9 | 150.4 | 153.8 | -69.2 | 163.1 | -175.5 | 172.6 | 0 | 117.3 | ||||
| 11 | S | 25.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -171.7 | 175.9 | -17.1 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 12 | V | 25.2 | Very low | 27.5 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | 71.5 | 148.7 | 165.4 | -177.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 13 | V | 24.2 | Very low | 27.3 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | cis | -167 | 160 | -45.5 | 108.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 14 | S | 25.2 | Very low | 27.2 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | 84.1 | 144 | 160 | -157.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 15 | T | 24 | Very low | 26.7 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 59.6 | 124.5 | 147.7 | 34.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 16 | F | 26.2 | Very low | 26.4 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | trans | -96.8 | 151 | 147.5 | -74.6 | -93.3 | 0 | 0 | 0 | 110 | ||||
| 17 | P | 35.3 | Very low | 26.3 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -149.6 | 169.9 | 117.7 | 39 | -23.7 | 0 | 0 | 0 | 116.4 | |||||
| 18 | K | 23.1 | Very low | 26.3 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 73 | 113.9 | 163.9 | -74 | -169.1 | 168.6 | -169.8 | 0 | 121.1 | ||||
| 19 | E | 27.4 | Very low | 26.3 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | 25.6 | 139.1 | 110.2 | -68.4 | 163.2 | 151.8 | 0 | 0 | 118.7 | |||||
| 20 | N | 26.4 | Very low | 26.3 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | cis | -155.2 | 152.3 | 30.9 | -122.7 | 0.4 | 0 | 0 | 0 | 114 | ||||
| 21 | E | 27.1 | Very low | 26.3 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 54.3 | 149.8 | 149.1 | -89.8 | -176.6 | 135.8 | 0 | 0 | 121.5 | ||||
| 22 | V | 26.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -140.5 | 153.4 | 6.6 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 23 | S | 24.8 | Very low | 26.5 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 134 | 133.2 | 133.5 | 72.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 24 | L | 28.4 | Very low | 26.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | 56.2 | 102.7 | 158.5 | -64.4 | 170.4 | 0 | 0 | 0 | 119.8 | ||||
| 25 | S | 25.2 | Very low | 26.8 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -138.7 | 141.3 | 163.4 | 64 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 26 | S | 26.2 | Very low | 26.9 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -137.5 | 154.5 | 161.7 | 99.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 27 | S | 26.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -157.9 | 144.6 | 0.4 | 38.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 28 | Q | 26.3 | Very low | 27.4 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -158.8 | 141.7 | 163.9 | -150.9 | 170.7 | 8.1 | 0 | 0 | 114.3 | ||||
| 29 | S | 26.1 | Very low | 27.7 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 79 | 131.2 | 155.9 | -121.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 30 | D | 25.8 | Very low | 27.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | 94.7 | 128.9 | 137.8 | -85.1 | -68.7 | 0 | 0 | 0 | 124.2 | ||||
| 31 | R | 26.8 | Very low | 27.6 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | 37.1 | 121.9 | 145.2 | -70.8 | 167 | 176 | -148.1 | -3.7 | 120.6 | ||||
| 32 | V | 26.8 | Very low | 27.6 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -100.4 | 127.5 | 145.7 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 33 | I | 29.4 | Very low | 27.6 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -114 | 137.8 | 157.7 | -67.6 | 176.2 | 0 | 0 | 0 | 106.1 | ||||
| 34 | L | 27.9 | Very low | 27.7 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -75.3 | 141.5 | 177.4 | -77.9 | 164.1 | 0 | 0 | 0 | 111.4 | ||||
| 35 | S | 26.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -107.8 | 150.2 | -176.8 | -175 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 36 | A | 26.3 | Very low | 27.5 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -148.2 | 141.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 37 | G | 27.5 | Very low | 27.5 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -88.8 | 176.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 38 | P | 46 | Very low | 27.5 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -106.9 | 146.6 | -167 | 38.4 | -32.2 | 0 | 0 | 0 | 116 | ||||
| 39 | I | 28 | Very low | 27.6 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -155.9 | 144.5 | 165.7 | -58.3 | -176.5 | 0 | 0 | 0 | 106.9 | ||||
| 40 | E | 27.2 | Very low | 28.1 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | -169 | 178.4 | -33.4 | -155.4 | 171.3 | -100.6 | 0 | 0 | 109 | ||||
| 41 | N | 25.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | trans | 66.2 | 97.5 | 155.9 | -67.2 | -51.8 | 0 | 0 | 0 | 123.5 | ||||
| 42 | T | 26.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | 76.4 | 142.3 | 109.8 | -51.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 43 | S | 25.4 | Very low | 28.1 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 94.2 | 110.5 | 172.7 | -42.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 44 | Q | 27.6 | Very low | 28.1 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | 64.8 | 134.3 | 69.7 | -62.2 | -175.4 | -0.6 | 0 | 0 | 112.3 | |||||
| 45 | V | 25.8 | Very low | 29.1 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | cis | -146.8 | 163.2 | 45 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 46 | S | 23.8 | Very low | 29 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -71.6 | -176.5 | 172.6 | -47.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 47 | L | 26.5 | Very low | 29 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | cis | -159.9 | -166.2 | 29.9 | -160.3 | 48.9 | 0 | 0 | 0 | 106 | ||||
| 48 | V | 26.1 | Very low | 30.6 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -154.5 | 163.6 | 14.8 | -162.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 49 | T | 28.2 | Very low | 29.6 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -134 | 139 | 168.7 | -32.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 50 | P | 36.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | -141.6 | 159.5 | 108.2 | 34.4 | -18.5 | 0 | 0 | 0 | 112.3 | |||||
| 51 | Q | 27.4 | Very low | 29.5 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | cis | 84.8 | 100.6 | 27.1 | -167.2 | -171.6 | -2.1 | 0 | 0 | 116.1 | ||||
| 52 | H | 28.2 | Very low | 29.5 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | 177 | 125.3 | 115.8 | -109.4 | -65.4 | 0 | 0 | 0 | 115.9 | |||||
| 53 | D | 25.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 65% | 0.647 | 76% | 0.76 | S | S | * | * | trans | 20.7 | 122.6 | 138.5 | -59.7 | -39.2 | 0 | 0 | 0 | 126.1 | ||||
| 54 | T | 27.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 70.5 | 173.5 | 114.2 | -41 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 55 | P | 49.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | -110.7 | 178.3 | -80.7 | 41.2 | -28.2 | 0 | 0 | 0 | 114.9 | |||||
| 56 | T | 24.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | 172.7 | 159.5 | 129.6 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 57 | A | 25.8 | Very low | 29.8 | Very low | 85 Ų | 85 | 127 Ų | 127 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -112.8 | -150.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 58 | P | 60.3 | Low | 31.4 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | -120.8 | 157.2 | -111.6 | 37 | -20.4 | 0 | 0 | 0 | 116 | |||||
| 59 | V | 26.4 | Very low | 32.5 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 92% | 0.915 | 76% | 0.76 | S | S | * | * | trans | -132.3 | 162.5 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 60 | K | 25.7 | Very low | 32.5 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -134.8 | 157.9 | -161.9 | 165.7 | -170.7 | 174.8 | -171.4 | 0 | 110 | ||||
| 61 | L | 26.1 | Very low | 32.1 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 134.9 | 133.3 | 163.9 | -74.3 | 155 | 0 | 0 | 0 | 108.8 | ||||
| 62 | T | 25.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | cis | 99.7 | 101.3 | 23.2 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 63 | A | 27.1 | Very low | 33.2 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | 179.9 | 159 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 64 | T | 26.5 | Very low | 33.4 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | cis | -167.2 | 131.8 | -25 | -87.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 65 | T | 27.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | 40.9 | 128.3 | 149.6 | -53.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 66 | A | 27.8 | Very low | 32.8 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -159.8 | 150.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 67 | S | 28 | Very low | 33.1 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -173.5 | -179 | -179.1 | 70 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 68 | P | 60.4 | Low | 33.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -109.1 | -118.4 | -19 | 43.1 | -29.4 | 0 | 0 | 0 | 108.9 | ||||
| 69 | P | 48.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -103.2 | 178.1 | -23.3 | 18.6 | 5.6 | 0 | 0 | 0 | 112.9 | ||||
| 70 | R | 28.6 | Very low | 32.6 | Very low | 226 Ų | 226 | 131.5 Ų | 131.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | cis | 102.9 | 89 | 3.6 | -167.5 | -156 | 176.2 | -158.2 | -0.9 | 118.4 | ||||
| 71 | K | 27.6 | Very low | 32.7 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -175 | 163.6 | 142.2 | -103.8 | 171.5 | -172.5 | -176.2 | 0 | 114.9 | ||||
| 72 | T | 27.5 | Very low | 33 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -139.4 | -168.3 | -177 | 51 | 0 | 0 | 0 | 0 | 109 | ||||
| 73 | P | 51.8 | Low | 33.9 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -134.2 | -165.6 | -27 | 25.3 | -0.2 | 0 | 0 | 0 | 114.7 | ||||
| 74 | T | 28.7 | Very low | 34 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 101.1 | 144.5 | 139.2 | -5.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 75 | A | 32.5 | Very low | 34.2 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 83.8 | 170.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 76 | T | 32.7 | Very low | 34.3 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | 159.7 | 143.2 | -65.3 | -75.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 77 | T | 31.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 157.7 | 110.1 | 140.9 | -71.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 78 | I | 37.5 | Very low | 34.5 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 62.8 | 146.1 | 134.2 | -62 | -178.8 | 0 | 0 | 0 | 120.2 | ||||
| 79 | T | 31.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | cis | -144.1 | 177.8 | 29.5 | -9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 80 | T | 31.8 | Very low | 32 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -127.7 | -114 | -5.1 | -34.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 81 | T | 27.3 | Very low | 32 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | cis | -161.4 | 161.3 | -1.4 | -35.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 82 | T | 32.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -148 | 176.5 | -177.5 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 83 | P | 44.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -125.2 | 153.3 | 3 | 41.2 | -25.1 | 0 | 0 | 0 | 115 | ||||
| 84 | S | 29.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | 85.3 | 113.4 | 64.3 | -164.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 85 | A | 30.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -172.6 | 150.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 86 | K | 29.8 | Very low | 30.5 | Very low | 201 Ų | 201 | 122.9 Ų | 122.9 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -64.4 | 149.3 | -176.8 | -64.3 | 163.5 | -179.6 | 175.6 | 0 | 114 | ||||
| 87 | A | 31.7 | Very low | 30.3 | Very low | 92 Ų | 92 | 124 Ų | 124 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | cis | 79.6 | 141.5 | 43.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 88 | T | 28.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | cis | -120.3 | -113.8 | 26 | -43.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 89 | T | 25.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | -158.8 | 178 | 11.2 | -52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 90 | S | 29.4 | Very low | 30.1 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -100.3 | 177.8 | -175.5 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 91 | S | 27.9 | Very low | 30.2 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -168.5 | 153.5 | 27.7 | 52.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 92 | T | 26.6 | Very low | 30.3 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | 59.3 | 153 | 151.5 | 40.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 93 | T | 28 | Very low | 30.2 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | cis | -153.1 | 151.3 | 4.1 | -0.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 94 | T | 27 | Very low | 29.3 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 32.7 | 139.8 | 136.6 | -45.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 95 | T | 28.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | cis | 165.1 | 150.5 | -20.1 | -82.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 96 | T | 27.6 | Very low | 29.1 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 61.3 | 105.2 | 164.3 | 46.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 97 | L | 28.2 | Very low | 29 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | 44.8 | 121.7 | 110.2 | -65.8 | 169.7 | 0 | 0 | 0 | 123.6 | |||||
| 98 | Q | 30.8 | Very low | 28.7 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | 67.8 | 164.5 | 146.6 | -78.2 | -163.5 | 16.5 | 0 | 0 | 117.9 | ||||
| 99 | P | 35 | Very low | 28.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -140.3 | -162.2 | 22.1 | 45.2 | -25.3 | 0 | 0 | 0 | 117.5 | ||||
| 100 | K | 30.5 | Very low | 28.7 | Very low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -44.6 | 160.5 | 166.1 | -79.5 | 178.4 | 172.5 | 175.4 | 0 | 115.3 | ||||
| 101 | P | 34.8 | Very low | 28.6 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -116.4 | 166.9 | 140.6 | 37.2 | -29.4 | 0 | 0 | 0 | 114.2 | ||||
| 102 | V | 28.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -141.3 | 140.6 | 177.2 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 103 | T | 30.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 8 | 127.7 | 161.4 | -51.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 104 | R | 25.6 | Very low | 28.8 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 75% | 0.751 | S | S | * | * | trans | -149.9 | 175.3 | 141.3 | -157.2 | 153.3 | 172.5 | 156.5 | -2.9 | 112.6 | ||||
| 105 | R | 28.1 | Very low | 28.9 | Very low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -114.2 | 179.7 | -161.5 | -69.3 | 173.8 | 159 | 166.5 | -7.5 | 114.7 | ||||
| 106 | T | 28.9 | Very low | 29 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | 106.1 | 94.6 | 133.1 | 20.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 107 | T | 27.4 | Very low | 29 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | 74 | 137.9 | 120.4 | 50.5 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 108 | T | 25.8 | Very low | 29 | Very low | 114 Ų | 114 | 149 Ų | 149 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 91.5 | 117.6 | 135.8 | 36.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 109 | T | 25.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | 71.6 | 156.3 | 139 | 54.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 110 | I | 27.7 | Very low | 28.5 | Very low | 137 Ų | 137 | 150.3 Ų | 150.3 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | cis | -158.3 | 153.7 | 6.9 | -132.8 | 164.9 | 0 | 0 | 0 | 114.3 | ||||
| 111 | R | 28.3 | Very low | 28.5 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | 61.3 | 151.5 | 159.5 | -70.3 | 170.6 | 86.9 | 161.3 | 4.4 | 118.4 | ||||
| 112 | T | 26.5 | Very low | 28.9 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 59% | 0.589 | 75% | 0.745 | S | S | * | * | cis | -155.2 | -166.1 | 7.4 | -3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 113 | Y | 31.1 | Very low | 28.9 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | cis | -161.2 | 170.3 | 5.4 | -123.4 | -31.9 | 0 | 0 | 0 | 113.6 | ||||
| 114 | T | 29.3 | Very low | 28.7 | Very low | 111 Ų | 111 | 151 Ų | 151 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | trans | 45.5 | 123.3 | 151.9 | 51.7 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 115 | S | 28.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 77.9 | 144.2 | 134.9 | -77.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 116 | R | 29.8 | Very low | 28.5 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -167.2 | 136.6 | -5.9 | 167.4 | -177.7 | -78.6 | -164.2 | -3.7 | 112.9 | ||||
| 117 | R | 28.7 | Very low | 28.3 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 62.9 | 123.7 | 162.4 | -69.7 | 170.1 | -175.5 | 175.9 | -1.5 | 118.6 | ||||
| 118 | T | 27.8 | Very low | 29.1 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | 57.9 | 133.8 | 78.1 | 41.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 119 | F | 27.8 | Very low | 29.8 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | cis | -133.6 | 175.5 | 49.6 | -95.3 | -97.7 | 0 | 0 | 0 | 117.2 | ||||
| 120 | T | 28.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -152 | 177.1 | -176 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 121 | S | 28.7 | Very low | 29.8 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 102.2 | 158.3 | 150.5 | -135.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 122 | P | 44.3 | Very low | 29.7 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -128.5 | 178.7 | -4.2 | 20.6 | 4.9 | 0 | 0 | 0 | 117.2 | ||||
| 123 | N | 29.2 | Very low | 29.8 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 169.5 | 178 | -50.2 | -78.9 | 0 | 0 | 0 | 116.1 | ||||
| 124 | Q | 26.3 | Very low | 29.5 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -131.9 | 171.7 | 139.2 | -78 | -152.3 | 6.6 | 0 | 0 | 112 | ||||
| 125 | R | 24.9 | Very low | 29.5 | Very low | 247 Ų | 247 | 144.4 Ų | 144.4 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -150.7 | 122.6 | -150.1 | 175.6 | -160.9 | -157.4 | 179.7 | 8.2 | 113.1 | ||||
| 126 | A | 24.3 | Very low | 29.5 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -161.9 | 140.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 127 | N | 24.3 | Very low | 29.5 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -134.5 | -176.7 | 162.9 | -66.7 | -39.8 | 0 | 0 | 0 | 105.6 | ||||
| 128 | P | 45 | Very low | 29.3 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -131.3 | -137.1 | -2.8 | 44 | -23.2 | 0 | 0 | 0 | 109.7 | ||||
| 129 | P | 38.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | -133.5 | 161.2 | -27.6 | 36.5 | -19.5 | 0 | 0 | 0 | 116.6 | ||||
| 130 | R | 28.2 | Very low | 30 | Very low | 253 Ų | 253 | 140.9 Ų | 140.9 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | 62 | 150.1 | 156.5 | -63.9 | 162.5 | -173.1 | -168.4 | 1.6 | 116.9 | ||||
| 131 | G | 26.5 | Very low | 29.9 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 175.5 | 154.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 132 | V | 26.3 | Very low | 30.1 | Very low | 137 Ų | 137 | 143 Ų | 143 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | cis | -162.8 | 147.2 | 44 | 158.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 133 | T | 28.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | 45.1 | 114.7 | 162 | -52.1 | 0 | 0 | 0 | 0 | 120.8 | V135 | T133-V135 HydrophobicContact CG2-CG2 3.92Š| ||
| 134 | A | 24.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -118.5 | 148.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 135 | V | 28.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -117.7 | 139.2 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | T133 | T133-V135 HydrophobicContact CG2-CG2 3.92Š| ||
| 136 | F | 30.6 | Very low | 30.9 | Very low | 199 Ų | 199 | 131.8 Ų | 131.8 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -71.6 | 140.3 | 179.9 | -84.1 | -109.2 | 0 | 0 | 0 | 113.2 | ||||
| 137 | V | 28.3 | Very low | 31.9 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -138.5 | 148.5 | 147.4 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 138 | S | 25.2 | Very low | 32.9 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | -77.4 | 151.9 | -174.1 | -169.2 | 0 | 0 | 0 | 0 | 114 | F140 | S138-F140 PolarHBondContact O-N 3.27Š| ||
| 139 | P | 36.3 | Very low | 33.4 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -85.6 | 109.2 | -178.2 | 32.8 | -34.7 | 0 | 0 | 0 | 114.1 | ||||
| 140 | F | 32.8 | Very low | 34.7 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | -150 | 103.5 | 159.4 | -83.5 | -72 | 0 | 0 | 0 | 111.8 | S138 | S138-F140 PolarHBondContact O-N 3.27Š| ||
| 141 | T | 27.6 | Very low | 37.1 | Very low | 136 Ų | 136 | 117.4 Ų | 117.4 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | -178.4 | 103.8 | 139.7 | 32 | 0 | 0 | 0 | 0 | 108.7 | T143 | T141-T143 PolarHBondContact O-N 3.1Š| ||
| 142 | T | 32 | Very low | 39.7 | Very low | 138 Ų | 138 | 120 Ų | 120 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | trans | -74.4 | 102.7 | 162 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | T144 | T142-T144 PolarHBondContact O-N 3.25Š| ||
| 143 | T | 34.1 | Very low | 42.3 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -78.7 | 104.1 | 165.9 | -56.1 | 0 | 0 | 0 | 0 | 107.1 | T141 E145 | T141-T143 PolarHBondContact O-N 3.1Å; T143-E145 PolarHBondContact O-N 2.8Å; T143-E145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | T | 35 | Very low | 44.9 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 77% | 0.767 | 66% | 0.656 | S | S | * | * | trans | -65.8 | 108.1 | 172.5 | -53.3 | 0 | 0 | 0 | 0 | 108.3 | T142 A146 | T142-T144 PolarHBondContact O-N 3.25Å; T144-A146 PolarHBondContact O-N 3.26Å | ||
| 145 | E | 35.6 | Very low | 47.8 | Very low | 151 Ų | 151 | 112.9 Ų | 112.9 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.5 | 168.6 | -169.5 | 175.3 | 163.6 | 0 | 0 | 108.1 | T143 | T143-E145 PolarHBondContact O-N 2.8Å; T143-E145 VanDerWaalsContact O-N 3.08Å |
| 146 | A | 38.1 | Very low | 50.4 | Low | 77 Ų | 77 | 111.5 Ų | 111.5 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.1 | 177 | 0 | 0 | 0 | 0 | 0 | 108.9 | T144 Q148 | T144-A146 PolarHBondContact O-N 3.26Å; A146-Q148 PolarHBondContact O-N 3Å |
| 147 | P | 43.5 | Very low | 53 | Low | 88 Ų | 88 | 102.5 Ų | 102.5 | 57% | 0.571 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132.2 | 179.2 | 23.6 | -33.4 | 0 | 0 | 0 | 109.7 | ||
| 148 | Q | 46.3 | Very low | 56 | Low | 155 Ų | 155 | 97.6 Ų | 97.6 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 131.1 | -175.8 | -66.1 | -174.8 | -0.9 | 0 | 0 | 109.6 | A146 Q150 | A146-Q148 PolarHBondContact O-N 3Å; Q148-Q150 PolarHBondContact O-N 3.29Å |
| 149 | P | 56.3 | Low | 59.2 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 130.1 | -176.2 | 24.6 | -33.5 | 0 | 0 | 0 | 109.7 | C151 I153 V222 | P149-C151 PolarHBondContact O-N 2.88Å; P149-I153 HydrophobicContact CB-CD1 4.27Å; P149-I153 HydrophobicContact CG-CD1 3.99Å; P149-I153 HydrophobicContact CG-CG1 4.48Å; P149-V222 HydrophobicContact CB-CG2 4.27Å |
| 150 | Q | 65.2 | Low | 61.8 | Low | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -71.5 | 24 | -176 | -55.3 | -179.9 | 20 | 0 | 0 | 113.7 | Q148 | Q148-Q150 PolarHBondContact O-N 3.29Š|
| 151 | C | 77.9 | Confident | 64.5 | Low | 8 Ų | 8 | 82 Ų | 82 | 5% | 0.054 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -153.4 | 135.3 | -174.9 | -159 | 0 | 0 | 0 | 0 | 110.2 | P149 I153 C287 Q291 | P149-C151 PolarHBondContact O-N 2.88Å; C151-I153 PolarHBondContact O-N 3.35Å; C151-C287 HydrophobicContact CB-CB 3.71Å; C151-C287 WeakPolarHBondContact CB-SG 3.03Å; C151-C287 WeakPolarHBondContact SG-CB 3.29Å; C151-C287 PolarHBondContact SG-O 3.44Å; C151-C287 CovalentContact SG-SG 2.02Å; C151-C287 PolarHBondContact SG-SG 3.14Å; C151-Q291 PolarHBondContact SG-NE2 2.93Å; C151-Q291 VanDerWaalsContact SG-NE2 3.39Å; C151-Q291 PolarHBondContact SG-OE1 2.82Å; C151-Q291 VanDerWaalsContact SG-OE1 3.37Å |
| 152 | N | 81.6 | Confident | 67.5 | Low | 122 Ų | 122 | 76.1 Ų | 76.1 | 65% | 0.652 | 42% | 0.415 | S | S | * | . | trans | -70.8 | 101.8 | 179.4 | -73.5 | -30 | 0 | 0 | 0 | 110.6 | T154 L157 Q291 | N152-T154 PolarHBondContact O-N 3.41Å; N152-L157 WeakPolarHBondContact O-CD1 3.3Å; N152-Q291 PolarHBondContact O-NE2 2.79Å | ||
| 153 | I | 81.6 | Confident | 70.2 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | trans | -67.9 | 120 | 176.8 | -55.3 | 177.5 | 0 | 0 | 0 | 108.8 | P149 C151 V222 | P149-I153 HydrophobicContact CB-CD1 4.27Å; P149-I153 HydrophobicContact CG-CD1 3.99Å; P149-I153 HydrophobicContact CG-CG1 4.48Å; C151-I153 PolarHBondContact O-N 3.35Å; I153-V222 HydrophobicContact CD1-CG2 4.44Å | ||
| 154 | T | 83.4 | Confident | 72.7 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | trans | -136.2 | 166.4 | 178.4 | 62.8 | 0 | 0 | 0 | 0 | 109.3 | N152 R156 L157 | N152-T154 PolarHBondContact O-N 3.41Å; T154-R156 PolarHBondContact O-N 3.15Å; T154-L157 WeakPolarHBondContact O-CB 3.32Å; T154-L157 PolarHBondContact O-N 2.9Å | ||
| 155 | E | 84.1 | Confident | 75.1 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -54.7 | -17 | 175.1 | -55.7 | -177.7 | 169.1 | 0 | 0 | 114.8 | L157 W158 R262 | E155-L157 PolarHBondContact O-N 3.35Å; E155-W158 HydrophobicContact CB-CD2 4.29Å; E155-W158 HydrophobicContact CB-CE3 4.2Å; E155-W158 HydrophobicContact CB-CZ3 4.49Å; E155-W158 HydrophobicContact CG-CD2 4.44Å; E155-W158 HydrophobicContact CG-CE3 4.14Å; E155-W158 HydrophobicContact CG-CH2 4.03Å; E155-W158 HydrophobicContact CG-CZ2 4.34Å; E155-W158 HydrophobicContact CG-CZ3 3.93Å; E155-W158 PolarHBondContact O-N 2.85Å; E155-R262 IonicContact OE2-CZ 2.78Å; E155-R262 IonicContact OE2-NE 3.84Å; E155-R262 PolarHBondContact OE2-NE 3.06Å; E155-R262 IonicContact OE2-NH2 2.68Å; E155-R262 PolarHBondContact OE2-NH2 2.78Å |
| 156 | R | 82 | Confident | 76.9 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -67.5 | -26.3 | 173.5 | -59.1 | -173.5 | -171.1 | -179 | 4.6 | 112.2 | T154 W158 P225 E294 | T154-R156 PolarHBondContact O-N 3.15Å; R156-W158 VanDerWaalsContact C-N 3.34Å; R156-P225 VanDerWaalsContact O-CG 3.25Å; R156-P225 WeakPolarHBondContact O-CG 3.48Å; R156-E294 IonicContact NH1-OE1 3.82Å |
| 157 | L | 87.1 | Confident | 78.4 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -90 | 1.6 | 179.4 | -71.1 | 150.1 | 0 | 0 | 0 | 112.6 | N152 T154 E155 C287 | N152-L157 WeakPolarHBondContact O-CD1 3.3Å; T154-L157 WeakPolarHBondContact O-CB 3.32Å; T154-L157 PolarHBondContact O-N 2.9Å; E155-L157 PolarHBondContact O-N 3.35Å; L157-C287 WeakPolarHBondContact CD1-SG 3.32Å; L157-C287 HydrophobicContact CD2-CB 4.19Å; L157-C287 WeakPolarHBondContact CD2-SG 3.38Å |
| 158 | W | 90.5 | Very high | 79.2 | Confident | 38 Ų | 38 | 64 Ų | 64 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | trans | -84.9 | 142.4 | 179.6 | -65.2 | -1.4 | 0 | 0 | 0 | 112.1 | E155 R156 E202 A213 W261 | E155-W158 HydrophobicContact CB-CD2 4.29Å; E155-W158 HydrophobicContact CB-CE3 4.2Å; E155-W158 HydrophobicContact CB-CZ3 4.49Å; E155-W158 HydrophobicContact CG-CD2 4.44Å; E155-W158 HydrophobicContact CG-CE3 4.14Å; E155-W158 HydrophobicContact CG-CH2 4.03Å; E155-W158 HydrophobicContact CG-CZ2 4.34Å; E155-W158 HydrophobicContact CG-CZ3 3.93Å; E155-W158 PolarHBondContact O-N 2.85Å; R156-W158 VanDerWaalsContact C-N 3.34Å; W158-E202 HydrophobicContact CD2-CG 4.24Å; W158-E202 HydrophobicContact CH2-CB 4.35Å; W158-E202 HydrophobicContact CZ2-CB 4.08Å; W158-E202 HydrophobicContact CZ2-CG 3.83Å; W158-E202 PolarHBondContact NE1-OE1 2.98Å; W158-A213 HydrophobicContact CE3-CB 4.37Å; W158-W261 HydrophobicContact CB-CB 3.65Å; W158-W261 HydrophobicContact CB-CG 3.91Å; W158-W261 AromaticContact CE3-CD1 3.81Å; W158-W261 HydrophobicContact CE3-CD2 4.18Å; W158-W261 AromaticContact CE3-CE2 3.87Å; W158-W261 HydrophobicContact CE3-CG 4.16Å; W158-W261 HydrophobicContact CE3-CZ2 4.46Å; W158-W261 AromaticContact CE3-NE1 3.62Å; W158-W261 HydrophobicContact CZ3-CZ2 4.49Å; W158-W261 WeakPolarHBondContact O-CB 3.38Å; W158-W261 PolarHBondContact O-N 2.86Å; W158-W261 VanDerWaalsContact O-N 3.07Å | ||
| 159 | V | 91.5 | Very high | 79.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.6 | 179.1 | 177 | 0 | 0 | 0 | 0 | 108.6 | A213 Y214 P225 V228 V258 | V159-A213 WeakPolarHBondContact O-CA 3.38Å; V159-Y214 HydrophobicContact CB-CE1 4.34Å; V159-Y214 HydrophobicContact CB-CE2 4.12Å; V159-Y214 HydrophobicContact CG1-CE1 4.07Å; V159-Y214 HydrophobicContact CG1-CE2 4.15Å; V159-Y214 WeakPolarHBondContact CG1-OH 3.43Å; V159-Y214 PolarHBondContact N-O 2.93Å; V159-Y214 PolarHBondContact O-N 3.43Å; V159-P225 HydrophobicContact CG2-CB 3.91Å; V159-P225 HydrophobicContact CG2-CG 4.44Å; V159-V228 HydrophobicContact CB-CG1 4.48Å; V159-V228 HydrophobicContact CG1-CG1 4.18Å; V159-V228 HydrophobicContact CG2-CB 4.09Å; V159-V228 HydrophobicContact CG2-CG1 3.92Å; V159-V258 HydrophobicContact CG1-CG2 3.36Å |
| 160 | K | 91.1 | Very high | 80 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.5 | -179.7 | 178.5 | -178.9 | 176 | -179.7 | 0 | 110.1 | V162 V212 V258 A259 W261 | K160-V162 HydrophobicContact CG-CG2 4.47Å; K160-V212 WeakPolarHBondContact CA-O 3.28Å; K160-V258 CarbonylContact O-C 3.46Å; K160-V258 WeakPolarHBondContact O-CA 3.41Å; K160-A259 HydrophobicContact CB-CB 4.47Å; K160-A259 PolarHBondContact N-O 3.08Å; K160-A259 PolarHBondContact O-N 3.04Å; K160-W261 HydrophobicContact CB-CE3 4.3Å |
| 161 | T | 90.4 | Very high | 80 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139 | 167.4 | -67.1 | 0 | 0 | 0 | 0 | 109 | V163 V212 Y214 L254 P257 | T161-V163 HydrophobicContact CG2-CG2 4.08Å; T161-V212 PolarHBondContact N-O 2.82Å; T161-V212 PolarHBondContact O-N 3.23Å; T161-Y214 WeakPolarHBondContact OG1-CE1 3.25Å; T161-Y214 PolarHBondContact OG1-OH 3.28Å; T161-L254 HydrophobicContact CG2-CD1 3.56Å; T161-L254 HydrophobicContact CG2-CG 4.36Å; T161-P257 WeakPolarHBondContact CB-O 3.37Å; T161-P257 VanDerWaalsContact CG2-O 3.26Å; T161-P257 WeakPolarHBondContact CG2-O 3.46Å; T161-P257 PolarHBondContact OG1-O 2.85Å |
| 162 | V | 89.7 | Confident | 79.8 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 113.6 | 178.1 | -172.6 | 0 | 0 | 0 | 0 | 109 | K160 N209 M210 T211 L254 P255 L256 | K160-V162 HydrophobicContact CG-CG2 4.47Å; V162-N209 HydrophobicContact CG1-CB 4.07Å; V162-M210 WeakPolarHBondContact CA-O 3.27Å; V162-T211 HydrophobicContact CG1-CG2 4.37Å; V162-T211 HydrophobicContact CG2-CG2 3.96Å; V162-L254 CarbonylContact O-C 3.59Å; V162-P255 HydrophobicContact CG1-CB 4.4Å; V162-P255 VanDerWaalsContact O-CD 3.23Å; V162-P255 WeakPolarHBondContact O-CD 3.47Å; V162-L256 HydrophobicContact CB-CB 3.74Å; V162-L256 HydrophobicContact CG2-CB 3.74Å; V162-L256 HydrophobicContact CG2-CD1 4.26Å; V162-L256 PolarHBondContact N-O 3.1Å; V162-L256 PolarHBondContact O-N 2.95Å |
| 163 | V | 89.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.6 | -179.3 | -164.1 | 0 | 0 | 0 | 0 | 108.4 | T161 I165 L180 M210 V212 V251 L254 | T161-V163 HydrophobicContact CG2-CG2 4.08Å; V163-I165 HydrophobicContact CB-CD1 4.36Å; V163-I165 HydrophobicContact CB-CG1 4.2Å; V163-I165 HydrophobicContact CG1-CD1 4.07Å; V163-I165 HydrophobicContact CG1-CG1 3.76Å; V163-L180 HydrophobicContact CG2-CD1 4.28Å; V163-M210 PolarHBondContact N-O 3.3Å; V163-M210 PolarHBondContact O-N 3.05Å; V163-V212 HydrophobicContact CG2-CG2 4Å; V163-V251 HydrophobicContact CG1-CB 4.29Å; V163-V251 HydrophobicContact CG1-CG1 3.64Å; V163-V251 HydrophobicContact CG1-CG2 3.71Å; V163-L254 HydrophobicContact CB-CD1 4.17Å; V163-L254 HydrophobicContact CG1-CD1 4.22Å; V163-L254 HydrophobicContact CG2-CD1 3.72Å |
| 164 | S | 86.7 | Confident | 79.7 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.3 | 169 | 68.5 | 0 | 0 | 0 | 0 | 109.1 | N209 T252 A253 | S164-N209 VanDerWaalsContact CB-OD1 3.27Å; S164-N209 WeakPolarHBondContact CB-OD1 3.24Å; S164-T252 PolarHBondContact O-N 3.22Å; S164-T252 PolarHBondContact O-OG1 3.41Å; S164-T252 VanDerWaalsContact O-OG1 3.07Å; S164-T252 PolarHBondContact OG-OG1 3.48Å; S164-A253 PolarHBondContact N-O 2.98Å; S164-A253 WeakPolarHBondContact OG-CA 3.27Å; S164-A253 WeakPolarHBondContact OG-CB 3.39Å; S164-A253 PolarHBondContact OG-N 2.98Å; S164-A253 PolarHBondContact OG-O 2.67Å |
| 165 | I | 84.7 | Confident | 79.7 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.7 | -173.5 | -47.6 | -173.8 | 0 | 0 | 0 | 109.5 | V163 V167 L172 P208 M210 L248 M250 V251 | V163-I165 HydrophobicContact CB-CD1 4.36Å; V163-I165 HydrophobicContact CB-CG1 4.2Å; V163-I165 HydrophobicContact CG1-CD1 4.07Å; V163-I165 HydrophobicContact CG1-CG1 3.76Å; I165-V167 HydrophobicContact CB-CG2 3.94Å; I165-V167 HydrophobicContact CG2-CG2 3.45Å; I165-V167 VanDerWaalsContact CG2-CG2 3.45Å; I165-V167 PolarHBondContact O-N 3.31Å; I165-V167 VanDerWaalsContact O-N 3.12Å; I165-L172 HydrophobicContact CD1-CD1 4.3Å; I165-L172 HydrophobicContact CD1-CD2 4.07Å; I165-P208 PolarHBondContact N-O 2.97Å; I165-M210 HydrophobicContact CB-SD 4.43Å; I165-M210 HydrophobicContact CD1-SD 3.88Å; I165-M210 HydrophobicContact CG1-SD 4.32Å; I165-L248 HydrophobicContact CD1-CD2 3.88Å; I165-M250 WeakPolarHBondContact CA-O 3.33Å; I165-M250 HydrophobicContact CG2-CB 3.82Å; I165-M250 HydrophobicContact CG2-CG 3.51Å; I165-M250 WeakPolarHBondContact CG2-O 3.42Å; I165-M250 HydrophobicContact CG2-SD 3.7Å; I165-V251 HydrophobicContact CD1-CG2 4.48Å; I165-V251 HydrophobicContact CG1-CG2 4.32Å |
| 166 | Y | 75.1 | Confident | 79.6 | Confident | 170 Ų | 170 | 73.4 Ų | 73.4 | 67% | 0.667 | 33% | 0.329 | S | S | * | . | trans | -81.9 | 88.4 | 175.1 | -172.9 | -102.1 | 0 | 0 | 0 | 110.1 | M250 | Y166-M250 PolarHBondContact N-O 2.81Š| ||
| 167 | V | 69.1 | Low | 79.7 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | trans | -112.7 | 130.2 | 177.8 | -161.2 | 0 | 0 | 0 | 0 | 109.4 | I165 R169 M250 | I165-V167 HydrophobicContact CB-CG2 3.94Å; I165-V167 HydrophobicContact CG2-CG2 3.45Å; I165-V167 VanDerWaalsContact CG2-CG2 3.45Å; I165-V167 PolarHBondContact O-N 3.31Å; I165-V167 VanDerWaalsContact O-N 3.12Å; V167-R169 WeakPolarHBondContact CB-O 3.45Å; V167-R169 HydrophobicContact CG1-CB 4.5Å; V167-R169 WeakPolarHBondContact CG1-O 3.44Å; V167-R169 PolarHBondContact O-N 2.97Å; V167-M250 HydrophobicContact CG2-SD 4.17Å | ||
| 168 | R | 59.5 | Low | 79.6 | Confident | 230 Ų | 230 | 78.6 Ų | 78.6 | 87% | 0.868 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -69.6 | 5 | 174.2 | -68.5 | -175.9 | 176 | 177.9 | -1.5 | 114.1 | ||
| 169 | R | 60.2 | Low | 79.5 | Confident | 188 Ų | 188 | 78.8 Ų | 78.8 | 71% | 0.709 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -145.5 | 136.9 | -179.7 | -67.5 | 179.5 | 175.3 | 165.5 | -2.9 | 107.8 | V167 R171 | V167-R169 WeakPolarHBondContact CB-O 3.45Å; V167-R169 HydrophobicContact CG1-CB 4.5Å; V167-R169 WeakPolarHBondContact CG1-O 3.44Å; V167-R169 PolarHBondContact O-N 2.97Å; R169-R171 PolarHBondContact O-N 3.24Å |
| 170 | N | 59.6 | Low | 79.4 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 68% | 0.684 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.7 | 26.6 | -170.7 | -66.6 | 1.3 | 0 | 0 | 0 | 115.2 | ||
| 171 | R | 66.1 | Low | 79.3 | Confident | 203 Ų | 203 | 79.8 Ų | 79.8 | 77% | 0.766 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -146.8 | 139.5 | -179.3 | -64.9 | -174.1 | 177.2 | -179.3 | -1 | 110.8 | R169 | R169-R171 PolarHBondContact O-N 3.24Š|
| 172 | L | 72.6 | Confident | 79.3 | Confident | 9 Ų | 9 | 85.5 Ų | 85.5 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | trans | -74.8 | 125.4 | 167 | -80.4 | 158.8 | 0 | 0 | 0 | 110.5 | I165 Q176 R177 L180 V204 M210 | I165-L172 HydrophobicContact CD1-CD1 4.3Å; I165-L172 HydrophobicContact CD1-CD2 4.07Å; L172-Q176 HydrophobicContact CB-CB 4.45Å; L172-Q176 HydrophobicContact CD2-CB 3.51Å; L172-Q176 HydrophobicContact CD2-CG 4.49Å; L172-R177 HydrophobicContact CB-CG 3.82Å; L172-R177 PolarHBondContact O-NE 2.7Å; L172-L180 HydrophobicContact CD1-CD2 4Å; L172-V204 HydrophobicContact CD1-CG1 3.85Å; L172-M210 HydrophobicContact CD1-CE 4.23Å; L172-M210 HydrophobicContact CD1-CG 4.49Å; L172-M210 HydrophobicContact CD1-SD 3.42Å; L172-M210 WeakPolarHBondContact CD1-SD 3.48Å; L172-M210 HydrophobicContact CD2-SD 4.36Å; L172-M210 HydrophobicContact CG-CE 3.89Å; L172-M210 HydrophobicContact CG-SD 3.52Å; L172-M210 VanDerWaalsContact CG-SD 3.52Å | ||
| 173 | D | 79.3 | Confident | 79.3 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | trans | -64.1 | 157.8 | 169.3 | -64.6 | -46.6 | 0 | 0 | 0 | 111.1 | I175 Q176 R177 | D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 PolarHBondContact O-N 2.8Å; D173-Q176 HydrophobicContact CB-CG 4.17Å; D173-Q176 WeakPolarHBondContact O-CA 3.21Å; D173-Q176 WeakPolarHBondContact O-CB 3.4Å; D173-Q176 PolarHBondContact O-N 3.48Å; D173-Q176 PolarHBondContact OD2-NE2 2.81Å; D173-R177 PolarHBondContact O-N 3.46Å | ||
| 174 | S | 82.1 | Confident | 79.5 | Confident | 97 Ų | 97 | 84.9 Ų | 84.9 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.5 | -42.5 | -179.1 | 53 | 0 | 0 | 0 | 0 | 113.1 | Q176 R177 Q178 | S174-Q176 VanDerWaalsContact C-N 3.35Å; S174-Q176 PolarHBondContact O-N 3.29Å; S174-R177 PolarHBondContact O-N 3.3Å; S174-Q178 PolarHBondContact O-N 3.32Å |
| 175 | I | 83.3 | Confident | 79.7 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 60% | 0.595 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 175.6 | -57.8 | 172.1 | 0 | 0 | 0 | 110.8 | D173 Q178 N179 | D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 PolarHBondContact O-N 2.8Å; I175-Q178 PolarHBondContact O-N 3.46Å; I175-N179 PolarHBondContact O-N 2.83Å |
| 176 | Q | 82.6 | Confident | 80.1 | Confident | 32 Ų | 32 | 86.1 Ų | 86.1 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 179.5 | -62.1 | 161.8 | 4.2 | 0 | 0 | 111.3 | L172 D173 S174 N179 L180 L248 | L172-Q176 HydrophobicContact CB-CB 4.45Å; L172-Q176 HydrophobicContact CD2-CB 3.51Å; L172-Q176 HydrophobicContact CD2-CG 4.49Å; D173-Q176 HydrophobicContact CB-CG 4.17Å; D173-Q176 WeakPolarHBondContact O-CA 3.21Å; D173-Q176 WeakPolarHBondContact O-CB 3.4Å; D173-Q176 PolarHBondContact O-N 3.48Å; D173-Q176 PolarHBondContact OD2-NE2 2.81Å; S174-Q176 VanDerWaalsContact C-N 3.35Å; S174-Q176 PolarHBondContact O-N 3.29Å; Q176-N179 PolarHBondContact O-N 2.81Å; Q176-L180 VanDerWaalsContact O-CB 3.32Å; Q176-L180 WeakPolarHBondContact O-CB 3.27Å; Q176-L180 PolarHBondContact O-N 3.46Å; Q176-L248 HydrophobicContact CB-CD1 4.16Å |
| 177 | R | 82.6 | Confident | 80.9 | Confident | 119 Ų | 119 | 78 Ų | 78 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 170.8 | -63.6 | -177 | -174.2 | -143.1 | -1.9 | 112.1 | L172 D173 S174 L180 R181 | L172-R177 HydrophobicContact CB-CG 3.82Å; L172-R177 PolarHBondContact O-NE 2.7Å; D173-R177 PolarHBondContact O-N 3.46Å; S174-R177 PolarHBondContact O-N 3.3Å; R177-L180 PolarHBondContact O-N 2.88Å; R177-R181 PolarHBondContact O-N 3.48Å |
| 178 | Q | 86.2 | Confident | 82 | Confident | 101 Ų | 101 | 76.5 Ų | 76.5 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.8 | -164.1 | -175 | 21.3 | 0 | 0 | 111.5 | S174 I175 R181 R182 | S174-Q178 PolarHBondContact O-N 3.32Å; I175-Q178 PolarHBondContact O-N 3.46Å; Q178-R181 PolarHBondContact O-N 3.38Å; Q178-R182 WeakPolarHBondContact O-CG 3.41Å; Q178-R182 PolarHBondContact O-N 3.37Å |
| 179 | N | 88.3 | Confident | 83.7 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67 | -38.7 | 176 | -77.8 | 2.4 | 0 | 0 | 0 | 112.5 | I175 Q176 R182 G183 Y247 L248 | I175-N179 PolarHBondContact O-N 2.83Å; Q176-N179 PolarHBondContact O-N 2.81Å; N179-R182 PolarHBondContact O-N 3.29Å; N179-G183 PolarHBondContact O-N 2.87Å; N179-Y247 WeakPolarHBondContact CB-O 3.39Å; N179-Y247 PolarHBondContact ND2-O 3.47Å; N179-Y247 WeakPolarHBondContact O-CB 3.23Å; N179-L248 HydrophobicContact CB-CD1 3.76Å |
| 180 | L | 88.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 170.1 | 175.5 | 63.5 | 0 | 0 | 0 | 111.4 | V163 L172 Q176 R177 R182 G183 L184 V204 V212 L244 L248 | V163-L180 HydrophobicContact CG2-CD1 4.28Å; L172-L180 HydrophobicContact CD1-CD2 4Å; Q176-L180 VanDerWaalsContact O-CB 3.32Å; Q176-L180 WeakPolarHBondContact O-CB 3.27Å; Q176-L180 PolarHBondContact O-N 3.46Å; R177-L180 PolarHBondContact O-N 2.88Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 2.87Å; L180-G183 PolarHBondContact O-N 3.33Å; L180-L184 HydrophobicContact CD1-CD1 4.17Å; L180-L184 HydrophobicContact CD1-CG 4.32Å; L180-L184 HydrophobicContact CG-CD1 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.07Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 2.88Å; L180-V204 HydrophobicContact CD2-CG2 4.36Å; L180-V212 HydrophobicContact CD1-CG2 4.48Å; L180-V212 HydrophobicContact CD2-CG1 4.44Å; L180-V212 HydrophobicContact CD2-CG2 3.85Å; L180-L244 HydrophobicContact CD1-CD2 3.97Å; L180-L248 HydrophobicContact CB-CD2 4.05Å; L180-L248 HydrophobicContact CD1-CD2 4.19Å |
| 181 | R | 90.3 | Very high | 86.6 | Confident | 90 Ų | 90 | 60 Ų | 60 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 174.7 | -175.4 | 179.6 | 175.3 | -179.2 | -2.5 | 111.9 | R177 Q178 S185 A199 V201 | R177-R181 PolarHBondContact O-N 3.48Å; Q178-R181 PolarHBondContact O-N 3.38Å; R181-S185 VanDerWaalsContact O-CB 3.32Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; R181-S185 PolarHBondContact O-N 3.39Å; R181-S185 PolarHBondContact O-OG 3.23Å; R181-A199 VanDerWaalsContact CG-O 3.28Å; R181-A199 WeakPolarHBondContact CG-O 3.24Å; R181-A199 PolarHBondContact NE-O 3.12Å; R181-V201 HydrophobicContact CB-CG2 4.08Å; R181-V201 HydrophobicContact CG-CG2 4.19Å |
| 182 | R | 90.1 | Very high | 87.7 | Confident | 119 Ų | 119 | 51.1 Ų | 51.1 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 176.7 | -70.4 | 174.4 | -172.4 | -167.3 | 5.8 | 112.2 | Q178 N179 L180 S185 Q186 Y247 | Q178-R182 WeakPolarHBondContact O-CG 3.41Å; Q178-R182 PolarHBondContact O-N 3.37Å; N179-R182 PolarHBondContact O-N 3.29Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 2.87Å; R182-S185 PolarHBondContact O-N 3.11Å; R182-Q186 PolarHBondContact O-N 2.8Å; R182-Y247 HydrophobicContact CB-CD1 3.89Å; R182-Y247 HydrophobicContact CB-CD2 4.31Å; R182-Y247 HydrophobicContact CB-CE1 4.04Å; R182-Y247 HydrophobicContact CB-CE2 4.41Å; R182-Y247 HydrophobicContact CB-CG 4.03Å |
| 183 | G | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N179 L180 S185 Q186 G187 | N179-G183 PolarHBondContact O-N 2.87Å; L180-G183 PolarHBondContact O-N 3.33Å; G183-S185 VanDerWaalsContact C-N 3.32Å; G183-S185 PolarHBondContact O-N 3.27Å; G183-Q186 PolarHBondContact O-N 2.93Å; G183-G187 PolarHBondContact O-N 3.2Å; G183-G187 VanDerWaalsContact O-N 3.08Å |
| 184 | L | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 172.1 | -71.4 | 173.8 | 0 | 0 | 0 | 111.6 | L180 Q186 G187 L188 A199 V201 V212 Y214 L244 | L180-L184 HydrophobicContact CD1-CD1 4.17Å; L180-L184 HydrophobicContact CD1-CG 4.32Å; L180-L184 HydrophobicContact CG-CD1 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.07Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 2.88Å; L184-Q186 PolarHBondContact O-N 3.44Å; L184-G187 PolarHBondContact O-N 2.87Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CD1 3.42Å; L184-L188 VanDerWaalsContact O-CG 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 3.15Å; L184-A199 HydrophobicContact CB-CB 3.87Å; L184-V201 HydrophobicContact CD1-CG2 4.28Å; L184-V212 HydrophobicContact CD1-CG1 3.94Å; L184-Y214 HydrophobicContact CD1-CD1 4.31Å; L184-Y214 HydrophobicContact CD1-CE1 4.42Å; L184-L244 HydrophobicContact CD2-CD1 4.42Å; L184-L244 HydrophobicContact CD2-CD2 3.94Å; L184-L244 HydrophobicContact CG-CD2 3.97Å |
| 185 | S | 92.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 177 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | R181 R182 G183 L188 R189 A199 | R181-S185 VanDerWaalsContact O-CB 3.32Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; R181-S185 PolarHBondContact O-N 3.39Å; R181-S185 PolarHBondContact O-OG 3.23Å; R182-S185 PolarHBondContact O-N 3.11Å; G183-S185 VanDerWaalsContact C-N 3.32Å; G183-S185 PolarHBondContact O-N 3.27Å; S185-L188 PolarHBondContact O-N 3.41Å; S185-R189 WeakPolarHBondContact O-CD 3.33Å; S185-R189 WeakPolarHBondContact O-CG 3.5Å; S185-R189 PolarHBondContact O-N 3.2Å; S185-A199 PolarHBondContact OG-N 3.26Å |
| 186 | Q | 92.8 | Very high | 89.6 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 175.9 | -168.5 | -166.6 | 18.1 | 0 | 0 | 111.3 | R182 G183 L184 R189 K190 D243 Y247 | R182-Q186 PolarHBondContact O-N 2.8Å; G183-Q186 PolarHBondContact O-N 2.93Å; L184-Q186 PolarHBondContact O-N 3.44Å; Q186-R189 PolarHBondContact O-N 2.89Å; Q186-K190 PolarHBondContact O-N 3.32Å; Q186-D243 VanDerWaalsContact CD-CG 3.48Å; Q186-D243 HydrophobicContact CG-CB 4.47Å; Q186-D243 WeakPolarHBondContact CG-OD2 3.39Å; Q186-D243 VanDerWaalsContact OE1-CG 3.3Å; Q186-D243 PolarHBondContact OE1-O 3.01Å; Q186-Y247 HydrophobicContact CB-CE2 4.17Å |
| 187 | G | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G183 L184 R189 K190 A191 | G183-G187 PolarHBondContact O-N 3.2Å; G183-G187 VanDerWaalsContact O-N 3.08Å; L184-G187 PolarHBondContact O-N 2.87Å; G187-R189 PolarHBondContact O-N 2.93Å; G187-K190 PolarHBondContact O-N 3.47Å; G187-A191 VanDerWaalsContact O-CB 3.23Å; G187-A191 WeakPolarHBondContact O-CB 3.48Å; G187-A191 PolarHBondContact O-N 2.96Å |
| 188 | L | 92.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 177 | -78.5 | 163.7 | 0 | 0 | 0 | 113.3 | L184 S185 K190 A191 L192 A199 Y214 V216 V228 L232 | L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CD1 3.42Å; L184-L188 VanDerWaalsContact O-CG 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 3.15Å; S185-L188 PolarHBondContact O-N 3.41Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.06Å; L188-A191 PolarHBondContact O-N 2.89Å; L188-L192 HydrophobicContact CD2-CD1 4.36Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.5Å; L188-A199 HydrophobicContact CD1-CB 3.72Å; L188-Y214 HydrophobicContact CD1-CD2 4.48Å; L188-Y214 HydrophobicContact CD1-CE2 4Å; L188-V216 HydrophobicContact CD1-CG1 4.03Å; L188-V216 HydrophobicContact CD1-CG2 3.71Å; L188-V216 HydrophobicContact CD2-CG1 4.26Å; L188-V216 HydrophobicContact CD2-CG2 3.89Å; L188-V216 HydrophobicContact CG-CG2 4.47Å; L188-V228 HydrophobicContact CD2-CG1 3.85Å; L188-L232 HydrophobicContact CD2-CD1 3.83Å; L188-L232 HydrophobicContact CD2-CD2 3.98Å; L188-L232 HydrophobicContact CD2-CG 3.99Å; L188-L232 HydrophobicContact CG-CD2 4.35Å |
| 189 | R | 93.6 | Very high | 90.7 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 177.4 | -70.6 | 162.8 | -174.9 | -169.9 | -7.4 | 112.5 | S185 Q186 G187 N193 D194 T195 A197 | S185-R189 WeakPolarHBondContact O-CD 3.33Å; S185-R189 WeakPolarHBondContact O-CG 3.5Å; S185-R189 PolarHBondContact O-N 3.2Å; Q186-R189 PolarHBondContact O-N 2.89Å; G187-R189 PolarHBondContact O-N 2.93Å; R189-N193 VanDerWaalsContact O-CA 3.3Å; R189-N193 WeakPolarHBondContact O-CA 3.29Å; R189-N193 PolarHBondContact O-N 3.07Å; R189-N193 VanDerWaalsContact O-N 3.08Å; R189-D194 WeakPolarHBondContact CA-O 3.29Å; R189-D194 VanDerWaalsContact CB-O 3.29Å; R189-D194 WeakPolarHBondContact CB-O 3.43Å; R189-D194 VanDerWaalsContact CG-O 3.28Å; R189-D194 WeakPolarHBondContact CG-O 3.49Å; R189-D194 PolarHBondContact O-N 2.9Å; R189-T195 PolarHBondContact NE-O 3.32Å; R189-A197 HydrophobicContact CG-CB 3.99Å; R189-A197 VanDerWaalsContact CG-O 3.29Å; R189-A197 WeakPolarHBondContact CG-O 3.44Å; R189-A197 PolarHBondContact NE-O 2.84Å |
| 190 | K | 91.4 | Very high | 90.7 | Very high | 88 Ų | 88 | 46 Ų | 46 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.1 | -22.3 | 176.6 | -60.3 | 176.4 | -170.7 | 168.1 | 0 | 113.3 | Q186 G187 L188 Y235 D243 | Q186-K190 PolarHBondContact O-N 3.32Å; G187-K190 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.06Å; K190-Y235 HydrophobicContact CB-CD2 4.1Å; K190-Y235 HydrophobicContact CB-CE2 3.48Å; K190-Y235 VanDerWaalsContact CB-CE2 3.48Å; K190-Y235 HydrophobicContact CD-CE2 4.21Å; K190-Y235 VanDerWaalsContact CD-OH 3.27Å; K190-Y235 WeakPolarHBondContact CD-OH 3.49Å; K190-D243 VanDerWaalsContact CD-OD2 3.3Å; K190-D243 WeakPolarHBondContact CD-OD2 3.37Å; K190-D243 VanDerWaalsContact CE-OD2 3.22Å; K190-D243 WeakPolarHBondContact CE-OD2 3.38Å; K190-D243 IonicContact NZ-OD1 2.67Å; K190-D243 PolarHBondContact NZ-OD1 2.76Å; K190-D243 IonicContact NZ-OD2 3.77Å; K190-D243 PolarHBondContact NZ-OD2 2.91Å |
| 191 | A | 90.8 | Very high | 90.7 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -84.4 | -35.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G187 L188 L232 Y235 | G187-A191 VanDerWaalsContact O-CB 3.23Å; G187-A191 WeakPolarHBondContact O-CB 3.48Å; G187-A191 PolarHBondContact O-N 2.96Å; L188-A191 PolarHBondContact O-N 2.89Å; A191-L232 HydrophobicContact CB-CD2 3.8Å; A191-L232 HydrophobicContact CB-CG 4.41Å; A191-Y235 HydrophobicContact CB-CD1 4.49Å; A191-Y235 HydrophobicContact CB-CG 3.99Å |
| 192 | L | 88.8 | Confident | 90.4 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -97 | -8.7 | 179.2 | -62.3 | 175.1 | 0 | 0 | 0 | 113.1 | L188 D194 A197 V216 Y223 V227 | L188-L192 HydrophobicContact CD2-CD1 4.36Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.5Å; L192-D194 PolarHBondContact O-N 2.82Å; L192-A197 HydrophobicContact CD1-CB 4.39Å; L192-V216 HydrophobicContact CD1-CG1 4.05Å; L192-Y223 HydrophobicContact CD1-CD2 3.82Å; L192-Y223 HydrophobicContact CD1-CE2 3.93Å; L192-Y223 HydrophobicContact CD1-CG 4.18Å; L192-V227 HydrophobicContact CD2-CG1 4.01Å |
| 193 | N | 90.5 | Very high | 90 | Very high | 147 Ų | 147 | 43.4 Ų | 43.4 | 79% | 0.786 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 57 | 21.3 | -170.3 | -65.2 | -41.4 | 0 | 0 | 0 | 114.6 | R189 | R189-N193 VanDerWaalsContact O-CA 3.3Å; R189-N193 WeakPolarHBondContact O-CA 3.29Å; R189-N193 PolarHBondContact O-N 3.07Å; R189-N193 VanDerWaalsContact O-N 3.08Å |
| 194 | D | 88.3 | Confident | 89.5 | Confident | 29 Ų | 29 | 44 Ų | 44 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | trans | -105.6 | 124.2 | 174.3 | 166.2 | 32.7 | 0 | 0 | 0 | 110 | R189 L192 S196 A197 G218 Y223 | R189-D194 WeakPolarHBondContact CA-O 3.29Å; R189-D194 VanDerWaalsContact CB-O 3.29Å; R189-D194 WeakPolarHBondContact CB-O 3.43Å; R189-D194 VanDerWaalsContact CG-O 3.28Å; R189-D194 WeakPolarHBondContact CG-O 3.49Å; R189-D194 PolarHBondContact O-N 2.9Å; L192-D194 PolarHBondContact O-N 2.82Å; D194-S196 VanDerWaalsContact C-N 3.31Å; D194-S196 PolarHBondContact O-N 2.93Å; D194-S196 WeakPolarHBondContact OD1-CB 3.38Å; D194-S196 PolarHBondContact OD1-N 3.4Å; D194-S196 PolarHBondContact OD1-OG 2.89Å; D194-S196 PolarHBondContact OD2-OG 3.11Å; D194-A197 HydrophobicContact CB-CB 4.23Å; D194-A197 VanDerWaalsContact OD2-CA 3.32Å; D194-A197 WeakPolarHBondContact OD2-CA 3.2Å; D194-A197 WeakPolarHBondContact OD2-CB 3.41Å; D194-A197 PolarHBondContact OD2-N 2.92Å; D194-G218 WeakPolarHBondContact OD2-CA 3.3Å; D194-Y223 PolarHBondContact OD2-OH 3.47Å | ||
| 195 | T | 88.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 49.8 Ų | 49.8 | 76% | 0.761 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -74.2 | -22.3 | 178.6 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | R189 | R189-T195 PolarHBondContact NE-O 3.32Š|
| 196 | S | 89.6 | Confident | 87.5 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -82.5 | -20.9 | -178.5 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | D194 Q198 G218 G219 | D194-S196 VanDerWaalsContact C-N 3.31Å; D194-S196 PolarHBondContact O-N 2.93Å; D194-S196 WeakPolarHBondContact OD1-CB 3.38Å; D194-S196 PolarHBondContact OD1-N 3.4Å; D194-S196 PolarHBondContact OD1-OG 2.89Å; D194-S196 PolarHBondContact OD2-OG 3.11Å; S196-Q198 PolarHBondContact O-N 3.28Å; S196-G218 WeakPolarHBondContact OG-CA 3.25Å; S196-G219 PolarHBondContact OG-N 3.25Å |
| 197 | A | 91.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -50.4 | 133.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | R189 L192 D194 T217 | R189-A197 HydrophobicContact CG-CB 3.99Å; R189-A197 VanDerWaalsContact CG-O 3.29Å; R189-A197 WeakPolarHBondContact CG-O 3.44Å; R189-A197 PolarHBondContact NE-O 2.84Å; L192-A197 HydrophobicContact CD1-CB 4.39Å; D194-A197 HydrophobicContact CB-CB 4.23Å; D194-A197 VanDerWaalsContact OD2-CA 3.32Å; D194-A197 WeakPolarHBondContact OD2-CA 3.2Å; D194-A197 WeakPolarHBondContact OD2-CB 3.41Å; D194-A197 PolarHBondContact OD2-N 2.92Å; A197-T217 CarbonylContact C-O 3.19Å; A197-T217 WeakPolarHBondContact CA-O 3.38Å | ||
| 198 | Q | 91.5 | Very high | 85.3 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137.6 | 176.9 | -70.6 | 177.9 | 58.3 | 0 | 0 | 110.7 | S196 V216 T217 | S196-Q198 PolarHBondContact O-N 3.28Å; Q198-V216 WeakPolarHBondContact O-CA 3.23Å; Q198-T217 PolarHBondContact N-O 3.43Å; Q198-T217 PolarHBondContact O-N 3.3Å |
| 199 | A | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R181 L184 S185 L188 V201 Y214 | R181-A199 VanDerWaalsContact CG-O 3.28Å; R181-A199 WeakPolarHBondContact CG-O 3.24Å; R181-A199 PolarHBondContact NE-O 3.12Å; L184-A199 HydrophobicContact CB-CB 3.87Å; S185-A199 PolarHBondContact OG-N 3.26Å; L188-A199 HydrophobicContact CD1-CB 3.72Å; A199-V201 HydrophobicContact CB-CG2 4.5Å; A199-Y214 HydrophobicContact CB-CD2 4.03Å; A199-Y214 HydrophobicContact CB-CG 4.42Å |
| 200 | Q | 89.2 | Confident | 84.5 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 100.1 | 165.7 | -56.4 | -142 | 37 | 0 | 0 | 107.4 | E202 Y214 H215 T217 | Q200-E202 PolarHBondContact O-N 3.3Å; Q200-Y214 CarbonylContact O-C 3.54Å; Q200-Y214 WeakPolarHBondContact O-CA 3.02Å; Q200-Y214 WeakPolarHBondContact O-CB 3.39Å; Q200-H215 WeakPolarHBondContact CB-CE1 3.28Å; Q200-H215 WeakPolarHBondContact CB-NE2 3.29Å; Q200-H215 WeakPolarHBondContact CG-NE2 3.26Å; Q200-H215 PolarHBondContact N-O 2.92Å; Q200-H215 PolarHBondContact O-N 2.83Å; Q200-T217 HydrophobicContact CG-CG2 4.25Å; Q200-T217 VanDerWaalsContact NE2-CG2 3.31Å; Q200-T217 PolarHBondContact NE2-OG1 2.88Å |
| 201 | V | 87.2 | Confident | 84.3 | Confident | 39 Ų | 39 | 54 Ų | 54 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 112.5 | -175.2 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | R181 L184 A199 V204 V212 | R181-V201 HydrophobicContact CB-CG2 4.08Å; R181-V201 HydrophobicContact CG-CG2 4.19Å; L184-V201 HydrophobicContact CD1-CG2 4.28Å; A199-V201 HydrophobicContact CB-CG2 4.5Å; V201-V204 HydrophobicContact CG1-CG2 3.57Å; V201-V212 HydrophobicContact CG1-CG1 3.73Å; V201-V212 HydrophobicContact CG2-CG1 4.09Å |
| 202 | E | 84.6 | Confident | 84.2 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -53.1 | -177.9 | -57.5 | -76.6 | -167.2 | 0 | 0 | 110.2 | W158 Q200 A213 H215 | W158-E202 HydrophobicContact CD2-CG 4.24Å; W158-E202 HydrophobicContact CH2-CB 4.35Å; W158-E202 HydrophobicContact CZ2-CB 4.08Å; W158-E202 HydrophobicContact CZ2-CG 3.83Å; W158-E202 PolarHBondContact NE1-OE1 2.98Å; Q200-E202 PolarHBondContact O-N 3.3Å; E202-A213 PolarHBondContact N-O 3.3Å; E202-H215 IonicContact OE1-CE1 3.23Å; E202-H215 PolarHBondContact OE1-CE1 3.48Å; E202-H215 VanDerWaalsContact OE1-CE1 3.23Å; E202-H215 IonicContact OE1-ND1 2.75Å; E202-H215 PolarHBondContact OE1-ND1 2.88Å |
| 203 | T | 81.8 | Confident | 84.3 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.2 | -175.9 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | F205 A213 | T203-F205 HydrophobicContact CG2-CE2 3.9Å; T203-F205 HydrophobicContact CG2-CZ 3.9Å; T203-F205 WeakPolarHBondContact OG1-CE2 3.48Å; T203-A213 PolarHBondContact N-O 3.39Å; T203-A213 PolarHBondContact O-N 3.42Å; T203-A213 WeakPolarHBondContact OG1-CB 3.3Å |
| 204 | V | 78.6 | Confident | 84.4 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 121.4 | 174 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | L172 L180 V201 M210 T211 V212 | L172-V204 HydrophobicContact CD1-CG1 3.85Å; L180-V204 HydrophobicContact CD2-CG2 4.36Å; V201-V204 HydrophobicContact CG1-CG2 3.57Å; V204-M210 HydrophobicContact CG1-CB 4.17Å; V204-M210 HydrophobicContact CG1-CG 4.48Å; V204-T211 WeakPolarHBondContact CA-O 3.48Å; V204-V212 HydrophobicContact CG1-CG2 4.26Å; V204-V212 HydrophobicContact CG2-CG1 4.24Å |
| 205 | F | 77.1 | Confident | 84.6 | Confident | 123 Ų | 123 | 44.7 Ų | 44.7 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.9 | -175.5 | -56.9 | -62 | 0 | 0 | 0 | 111.5 | T203 M210 T211 | T203-F205 HydrophobicContact CG2-CE2 3.9Å; T203-F205 HydrophobicContact CG2-CZ 3.9Å; T203-F205 WeakPolarHBondContact OG1-CE2 3.48Å; F205-M210 CarbonylContact O-C 3.54Å; F205-M210 VanDerWaalsContact O-CA 3.32Å; F205-M210 WeakPolarHBondContact O-CA 3.46Å; F205-T211 PolarHBondContact N-O 3.42Å; F205-T211 PolarHBondContact O-N 2.7Å; F205-T211 PolarHBondContact O-OG1 3.46Å |
| 206 | G | 65.8 | Low | 84.7 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | trans | 87 | 158.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N209 M210 | G206-N209 CarbonylContact C-O 3.52Å; G206-M210 WeakPolarHBondContact O-CG 3.24Å | ||
| 207 | S | 68.7 | Low | 84.8 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -163.1 | 132.6 | 175.5 | 57 | 0 | 0 | 0 | 0 | 108.6 | ||
| 208 | P | 70.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 37.9 Ų | 37.9 | 60% | 0.597 | 22% | 0.215 | S | C | * | . | S | Bend | cis | -80 | -13.2 | 0.1 | 33.6 | -36.9 | 0 | 0 | 0 | 114.2 | I165 M210 | I165-P208 PolarHBondContact N-O 2.97Å; P208-M210 PolarHBondContact O-N 3.31Å |
| 209 | N | 84.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 37 Ų | 37 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 104.2 | 173.9 | -70.7 | -25.5 | 0 | 0 | 0 | 109.3 | V162 S164 G206 | V162-N209 HydrophobicContact CG1-CB 4.07Å; S164-N209 VanDerWaalsContact CB-OD1 3.27Å; S164-N209 WeakPolarHBondContact CB-OD1 3.24Å; G206-N209 CarbonylContact C-O 3.52Å |
| 210 | M | 84.2 | Confident | 83.8 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.044 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.4 | -178.4 | -80.3 | 164.7 | 168.4 | 0 | 0 | 110.6 | V162 V163 I165 L172 V204 F205 G206 P208 | V162-M210 WeakPolarHBondContact CA-O 3.27Å; V163-M210 PolarHBondContact N-O 3.3Å; V163-M210 PolarHBondContact O-N 3.05Å; I165-M210 HydrophobicContact CB-SD 4.43Å; I165-M210 HydrophobicContact CD1-SD 3.88Å; I165-M210 HydrophobicContact CG1-SD 4.32Å; L172-M210 HydrophobicContact CD1-CE 4.23Å; L172-M210 HydrophobicContact CD1-CG 4.49Å; L172-M210 HydrophobicContact CD1-SD 3.42Å; L172-M210 WeakPolarHBondContact CD1-SD 3.48Å; L172-M210 HydrophobicContact CD2-SD 4.36Å; L172-M210 HydrophobicContact CG-CE 3.89Å; L172-M210 HydrophobicContact CG-SD 3.52Å; L172-M210 VanDerWaalsContact CG-SD 3.52Å; V204-M210 HydrophobicContact CG1-CB 4.17Å; V204-M210 HydrophobicContact CG1-CG 4.48Å; F205-M210 CarbonylContact O-C 3.54Å; F205-M210 VanDerWaalsContact O-CA 3.32Å; F205-M210 WeakPolarHBondContact O-CA 3.46Å; G206-M210 WeakPolarHBondContact O-CG 3.24Å; P208-M210 PolarHBondContact O-N 3.31Å |
| 211 | T | 87.6 | Confident | 83.5 | Confident | 37 Ų | 37 | 42 Ų | 42 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.1 | 171.8 | 67.8 | 0 | 0 | 0 | 0 | 108.9 | V162 V204 F205 | V162-T211 HydrophobicContact CG1-CG2 4.37Å; V162-T211 HydrophobicContact CG2-CG2 3.96Å; V204-T211 WeakPolarHBondContact CA-O 3.48Å; F205-T211 PolarHBondContact N-O 3.42Å; F205-T211 PolarHBondContact O-N 2.7Å; F205-T211 PolarHBondContact O-OG1 3.46Å |
| 212 | V | 89.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.6 | 177.6 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | K160 T161 V163 L180 L184 V201 V204 Y214 | K160-V212 WeakPolarHBondContact CA-O 3.28Å; T161-V212 PolarHBondContact N-O 2.82Å; T161-V212 PolarHBondContact O-N 3.23Å; V163-V212 HydrophobicContact CG2-CG2 4Å; L180-V212 HydrophobicContact CD1-CG2 4.48Å; L180-V212 HydrophobicContact CD2-CG1 4.44Å; L180-V212 HydrophobicContact CD2-CG2 3.85Å; L184-V212 HydrophobicContact CD1-CG1 3.94Å; V201-V212 HydrophobicContact CG1-CG1 3.73Å; V201-V212 HydrophobicContact CG2-CG1 4.09Å; V204-V212 HydrophobicContact CG1-CG2 4.26Å; V204-V212 HydrophobicContact CG2-CG1 4.24Å; V212-Y214 HydrophobicContact CG1-CD1 4.07Å |
| 213 | A | 91.2 | Very high | 84 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | W158 V159 E202 T203 W261 | W158-A213 HydrophobicContact CE3-CB 4.37Å; V159-A213 WeakPolarHBondContact O-CA 3.38Å; E202-A213 PolarHBondContact N-O 3.3Å; T203-A213 PolarHBondContact N-O 3.39Å; T203-A213 PolarHBondContact O-N 3.42Å; T203-A213 WeakPolarHBondContact OG1-CB 3.3Å; A213-W261 HydrophobicContact CB-CD2 4.41Å; A213-W261 HydrophobicContact CB-CE3 3.78Å; A213-W261 HydrophobicContact CB-CH2 4.16Å; A213-W261 HydrophobicContact CB-CZ3 3.65Å |
| 214 | Y | 91.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.1 | 178.2 | 64 | -83.8 | 0 | 0 | 0 | 111.8 | V159 T161 L184 L188 A199 Q200 V212 V216 V228 L232 | V159-Y214 HydrophobicContact CB-CE1 4.34Å; V159-Y214 HydrophobicContact CB-CE2 4.12Å; V159-Y214 HydrophobicContact CG1-CE1 4.07Å; V159-Y214 HydrophobicContact CG1-CE2 4.15Å; V159-Y214 WeakPolarHBondContact CG1-OH 3.43Å; V159-Y214 PolarHBondContact N-O 2.93Å; V159-Y214 PolarHBondContact O-N 3.43Å; T161-Y214 WeakPolarHBondContact OG1-CE1 3.25Å; T161-Y214 PolarHBondContact OG1-OH 3.28Å; L184-Y214 HydrophobicContact CD1-CD1 4.31Å; L184-Y214 HydrophobicContact CD1-CE1 4.42Å; L188-Y214 HydrophobicContact CD1-CD2 4.48Å; L188-Y214 HydrophobicContact CD1-CE2 4Å; A199-Y214 HydrophobicContact CB-CD2 4.03Å; A199-Y214 HydrophobicContact CB-CG 4.42Å; Q200-Y214 CarbonylContact O-C 3.54Å; Q200-Y214 WeakPolarHBondContact O-CA 3.02Å; Q200-Y214 WeakPolarHBondContact O-CB 3.39Å; V212-Y214 HydrophobicContact CG1-CD1 4.07Å; Y214-V216 HydrophobicContact CD2-CG2 3.77Å; Y214-V216 HydrophobicContact CE2-CG2 3.64Å; Y214-V228 HydrophobicContact CE2-CG1 4.32Å; Y214-L232 WeakPolarHBondContact OH-CD1 3.2Å |
| 215 | H | 91.6 | Very high | 85 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 169 | 161.9 | 72.3 | -99.4 | 0 | 0 | 0 | 109.6 | Q200 E202 | Q200-H215 WeakPolarHBondContact CB-CE1 3.28Å; Q200-H215 WeakPolarHBondContact CB-NE2 3.29Å; Q200-H215 WeakPolarHBondContact CG-NE2 3.26Å; Q200-H215 PolarHBondContact N-O 2.92Å; Q200-H215 PolarHBondContact O-N 2.83Å; E202-H215 IonicContact OE1-CE1 3.23Å; E202-H215 PolarHBondContact OE1-CE1 3.48Å; E202-H215 VanDerWaalsContact OE1-CE1 3.23Å; E202-H215 IonicContact OE1-ND1 2.75Å; E202-H215 PolarHBondContact OE1-ND1 2.88Å |
| 216 | V | 92.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.1 | -176.9 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | L188 L192 Q198 Y214 Y223 V228 | L188-V216 HydrophobicContact CD1-CG1 4.03Å; L188-V216 HydrophobicContact CD1-CG2 3.71Å; L188-V216 HydrophobicContact CD2-CG1 4.26Å; L188-V216 HydrophobicContact CD2-CG2 3.89Å; L188-V216 HydrophobicContact CG-CG2 4.47Å; L192-V216 HydrophobicContact CD1-CG1 4.05Å; Q198-V216 WeakPolarHBondContact O-CA 3.23Å; Y214-V216 HydrophobicContact CD2-CG2 3.77Å; Y214-V216 HydrophobicContact CE2-CG2 3.64Å; V216-Y223 HydrophobicContact CB-CD2 4.45Å; V216-Y223 HydrophobicContact CG1-CD2 3.95Å; V216-Y223 PolarHBondContact O-N 2.95Å; V216-V228 HydrophobicContact CB-CG2 3.88Å; V216-V228 HydrophobicContact CG2-CB 4.43Å; V216-V228 HydrophobicContact CG2-CG1 3.8Å; V216-V228 HydrophobicContact CG2-CG2 3.69Å |
| 217 | T | 91.2 | Very high | 86.7 | Confident | 18 Ų | 18 | 29.2 Ų | 29.2 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.3 | -179.4 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | A197 Q198 Q200 T221 V222 | A197-T217 CarbonylContact C-O 3.19Å; A197-T217 WeakPolarHBondContact CA-O 3.38Å; Q198-T217 PolarHBondContact N-O 3.43Å; Q198-T217 PolarHBondContact O-N 3.3Å; Q200-T217 HydrophobicContact CG-CG2 4.25Å; Q200-T217 VanDerWaalsContact NE2-CG2 3.31Å; Q200-T217 PolarHBondContact NE2-OG1 2.88Å; T217-T221 CarbonylContact C-O 3.5Å; T217-T221 VanDerWaalsContact CA-O 3.27Å; T217-T221 WeakPolarHBondContact CA-O 3.29Å; T217-V222 HydrophobicContact CG2-CG1 4.44Å; T217-V222 HydrophobicContact CG2-CG2 4.1Å |
| 218 | G | 87.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 105.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | D194 S196 E220 T221 | D194-G218 WeakPolarHBondContact OD2-CA 3.3Å; S196-G218 WeakPolarHBondContact OG-CA 3.25Å; G218-E220 PolarHBondContact O-N 3.34Å; G218-T221 PolarHBondContact N-O 2.92Å; G218-T221 WeakPolarHBondContact O-CA 3.42Å; G218-T221 WeakPolarHBondContact O-CB 3.34Å; G218-T221 PolarHBondContact O-N 2.89Å; G218-T221 PolarHBondContact O-OG1 2.85Å |
| 219 | G | 84 | Confident | 88.8 | Confident | 62 Ų | 62 | 22.9 Ų | 22.9 | 64% | 0.639 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -122.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S196 | S196-G219 PolarHBondContact OG-N 3.25Š|
| 220 | E | 80.6 | Confident | 89.1 | Confident | 122 Ų | 122 | 24.3 Ų | 24.3 | 57% | 0.57 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -9.8 | 173.1 | -59.9 | -168.3 | 131.3 | 0 | 0 | 113.7 | G218 | G218-E220 PolarHBondContact O-N 3.34Š|
| 221 | T | 84.1 | Confident | 89.3 | Confident | 51 Ų | 51 | 24.2 Ų | 24.2 | 31% | 0.313 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 145.7 | -176.9 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | T217 G218 | T217-T221 CarbonylContact C-O 3.5Å; T217-T221 VanDerWaalsContact CA-O 3.27Å; T217-T221 WeakPolarHBondContact CA-O 3.29Å; G218-T221 PolarHBondContact N-O 2.92Å; G218-T221 WeakPolarHBondContact O-CA 3.42Å; G218-T221 WeakPolarHBondContact O-CB 3.34Å; G218-T221 PolarHBondContact O-N 2.89Å; G218-T221 PolarHBondContact O-OG1 2.85Å |
| 222 | V | 90.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 22.6 Ų | 22.6 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.3 | 169 | -173.4 | 0 | 0 | 0 | 0 | 107.1 | P149 I153 T217 C287 | P149-V222 HydrophobicContact CB-CG2 4.27Å; I153-V222 HydrophobicContact CD1-CG2 4.44Å; T217-V222 HydrophobicContact CG2-CG1 4.44Å; T217-V222 HydrophobicContact CG2-CG2 4.1Å; V222-C287 HydrophobicContact CB-CB 3.74Å; V222-C287 HydrophobicContact CG1-CB 4.25Å; V222-C287 WeakPolarHBondContact O-CB 3.5Å; V222-C287 PolarHBondContact O-N 2.73Å |
| 223 | Y | 90.4 | Very high | 89.5 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 139.3 | 179.9 | -69.3 | -73.6 | 0 | 0 | 0 | 111.5 | L192 D194 V216 V227 R285 | L192-Y223 HydrophobicContact CD1-CD2 3.82Å; L192-Y223 HydrophobicContact CD1-CE2 3.93Å; L192-Y223 HydrophobicContact CD1-CG 4.18Å; D194-Y223 PolarHBondContact OD2-OH 3.47Å; V216-Y223 HydrophobicContact CB-CD2 4.45Å; V216-Y223 HydrophobicContact CG1-CD2 3.95Å; V216-Y223 PolarHBondContact O-N 2.95Å; Y223-V227 HydrophobicContact CD1-CG1 4.34Å; Y223-R285 HydrophobicContact CD1-CB 4.34Å; Y223-R285 WeakPolarHBondContact CD1-O 3.23Å; Y223-R285 HydrophobicContact CE1-CB 4.34Å |
| 224 | P | 90.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -74.6 | 153.1 | 175.5 | 32.3 | -35.2 | 0 | 0 | 0 | 111.4 | S226 V227 V228 R285 L290 | P224-S226 PolarHBondContact O-N 3.15Å; P224-S226 VanDerWaalsContact O-N 3.11Å; P224-V227 HydrophobicContact CG-CB 4.1Å; P224-V227 HydrophobicContact CG-CG2 3.8Å; P224-V227 PolarHBondContact O-N 3.23Å; P224-V227 VanDerWaalsContact O-N 3.17Å; P224-V228 PolarHBondContact O-N 2.63Å; P224-R285 WeakPolarHBondContact CD-O 2.93Å; P224-L290 HydrophobicContact CB-CD1 3.77Å | ||
| 225 | P | 90.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.2 | -32.2 | -176.6 | -26.6 | 32.4 | 0 | 0 | 0 | 114.6 | R156 V159 V228 A229 L260 | R156-P225 VanDerWaalsContact O-CG 3.25Å; R156-P225 WeakPolarHBondContact O-CG 3.48Å; V159-P225 HydrophobicContact CG2-CB 3.91Å; V159-P225 HydrophobicContact CG2-CG 4.44Å; P225-V228 PolarHBondContact O-N 3.34Å; P225-A229 VanDerWaalsContact O-CB 3.24Å; P225-A229 WeakPolarHBondContact O-CB 3.45Å; P225-A229 PolarHBondContact O-N 2.85Å; P225-L260 HydrophobicContact CB-CD2 3.85Å; P225-L260 HydrophobicContact CB-CG 4.05Å; P225-L260 HydrophobicContact CG-CD2 4.43Å |
| 226 | S | 89.1 | Confident | 89.2 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | P224 A229 E230 S321 | P224-S226 PolarHBondContact O-N 3.15Å; P224-S226 VanDerWaalsContact O-N 3.11Å; S226-A229 PolarHBondContact O-N 2.69Å; S226-E230 WeakPolarHBondContact O-CB 3.22Å; S226-E230 PolarHBondContact O-N 3.47Å; S226-S321 VanDerWaalsContact CB-CB 3.48Å |
| 227 | V | 90.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | L192 Y223 P224 G231 R285 | L192-V227 HydrophobicContact CD2-CG1 4.01Å; Y223-V227 HydrophobicContact CD1-CG1 4.34Å; P224-V227 HydrophobicContact CG-CB 4.1Å; P224-V227 HydrophobicContact CG-CG2 3.8Å; P224-V227 PolarHBondContact O-N 3.23Å; P224-V227 VanDerWaalsContact O-N 3.17Å; V227-G231 PolarHBondContact O-N 2.69Å; V227-R285 HydrophobicContact CG1-CB 4.25Å; V227-R285 HydrophobicContact CG1-CG 4.25Å; V227-R285 HydrophobicContact CG2-CB 4.31Å; V227-R285 HydrophobicContact CG2-CG 4.24Å |
| 228 | V | 92.2 | Very high | 89 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 173.9 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | V159 L188 Y214 V216 P224 P225 L232 | V159-V228 HydrophobicContact CB-CG1 4.48Å; V159-V228 HydrophobicContact CG1-CG1 4.18Å; V159-V228 HydrophobicContact CG2-CB 4.09Å; V159-V228 HydrophobicContact CG2-CG1 3.92Å; L188-V228 HydrophobicContact CD2-CG1 3.85Å; Y214-V228 HydrophobicContact CE2-CG1 4.32Å; V216-V228 HydrophobicContact CB-CG2 3.88Å; V216-V228 HydrophobicContact CG2-CB 4.43Å; V216-V228 HydrophobicContact CG2-CG1 3.8Å; V216-V228 HydrophobicContact CG2-CG2 3.69Å; P224-V228 PolarHBondContact O-N 2.63Å; P225-V228 PolarHBondContact O-N 3.34Å; V228-L232 HydrophobicContact CG1-CD1 3.95Å; V228-L232 WeakPolarHBondContact O-CB 3.36Å; V228-L232 WeakPolarHBondContact O-CG 3.47Å; V228-L232 PolarHBondContact O-N 3.41Å |
| 229 | A | 90.7 | Very high | 89.2 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.6 | -48.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P225 S226 G231 L232 M233 V258 | P225-A229 VanDerWaalsContact O-CB 3.24Å; P225-A229 WeakPolarHBondContact O-CB 3.45Å; P225-A229 PolarHBondContact O-N 2.85Å; S226-A229 PolarHBondContact O-N 2.69Å; A229-G231 PolarHBondContact O-N 2.68Å; A229-L232 PolarHBondContact O-N 3.45Å; A229-M233 HydrophobicContact CB-CE 4.36Å; A229-M233 WeakPolarHBondContact O-CB 3.34Å; A229-M233 VanDerWaalsContact O-CG 3.24Å; A229-M233 WeakPolarHBondContact O-CG 3.38Å; A229-M233 PolarHBondContact O-N 3.16Å; A229-V258 HydrophobicContact CB-CG1 4.08Å; A229-V258 HydrophobicContact CB-CG2 4.11Å |
| 230 | E | 89.8 | Confident | 89.5 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -44.2 | 178.1 | -170.6 | 176.8 | 176.6 | 0 | 0 | 111.9 | S226 S234 | S226-E230 WeakPolarHBondContact O-CB 3.22Å; S226-E230 PolarHBondContact O-N 3.47Å; E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.49Å; E230-S234 PolarHBondContact O-OG 2.81Å |
| 231 | G | 89.7 | Confident | 90 | Very high | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V227 A229 S234 Y235 | V227-G231 PolarHBondContact O-N 2.69Å; A229-G231 PolarHBondContact O-N 2.68Å; G231-S234 PolarHBondContact O-N 2.99Å; G231-S234 PolarHBondContact O-OG 2.94Å; G231-S234 VanDerWaalsContact O-OG 3.06Å; G231-Y235 VanDerWaalsContact O-CB 3.26Å; G231-Y235 WeakPolarHBondContact O-CB 3.27Å; G231-Y235 PolarHBondContact O-N 3.07Å |
| 232 | L | 91.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.4 | -29.7 | -179 | -70.2 | 173.4 | 0 | 0 | 0 | 113.3 | L188 A191 Y214 V228 A229 G236 L240 V258 | L188-L232 HydrophobicContact CD2-CD1 3.83Å; L188-L232 HydrophobicContact CD2-CD2 3.98Å; L188-L232 HydrophobicContact CD2-CG 3.99Å; L188-L232 HydrophobicContact CG-CD2 4.35Å; A191-L232 HydrophobicContact CB-CD2 3.8Å; A191-L232 HydrophobicContact CB-CG 4.41Å; Y214-L232 WeakPolarHBondContact OH-CD1 3.2Å; V228-L232 HydrophobicContact CG1-CD1 3.95Å; V228-L232 WeakPolarHBondContact O-CB 3.36Å; V228-L232 WeakPolarHBondContact O-CG 3.47Å; V228-L232 PolarHBondContact O-N 3.41Å; A229-L232 PolarHBondContact O-N 3.45Å; L232-G236 PolarHBondContact O-N 2.78Å; L232-L240 HydrophobicContact CD2-CD1 4.05Å; L232-L240 HydrophobicContact CD2-CD2 4.01Å; L232-V258 HydrophobicContact CB-CB 4.16Å; L232-V258 HydrophobicContact CB-CG1 4.17Å; L232-V258 HydrophobicContact CB-CG2 4.38Å; L232-V258 HydrophobicContact CD1-CB 4.21Å; L232-V258 HydrophobicContact CD1-CG2 3.86Å |
| 233 | M | 89.4 | Confident | 90.3 | Very high | 126 Ų | 126 | 41.9 Ų | 41.9 | 62% | 0.621 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -68.2 | -46.7 | 171.8 | -73.1 | -173.1 | -61.3 | 0 | 0 | 111.6 | A229 G236 V258 | A229-M233 HydrophobicContact CB-CE 4.36Å; A229-M233 WeakPolarHBondContact O-CB 3.34Å; A229-M233 VanDerWaalsContact O-CG 3.24Å; A229-M233 WeakPolarHBondContact O-CG 3.38Å; A229-M233 PolarHBondContact O-N 3.16Å; M233-G236 PolarHBondContact O-N 3.17Å; M233-V258 HydrophobicContact CG-CG1 3.82Å |
| 234 | S | 88.8 | Confident | 90.3 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 65% | 0.65 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.4 | -31.3 | 178.2 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | E230 G231 G236 | E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.49Å; E230-S234 PolarHBondContact O-OG 2.81Å; G231-S234 PolarHBondContact O-N 2.99Å; G231-S234 PolarHBondContact O-OG 2.94Å; G231-S234 VanDerWaalsContact O-OG 3.06Å; S234-G236 VanDerWaalsContact C-N 3.35Å |
| 235 | Y | 91.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 46 Ų | 46 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 171.2 | -173.3 | -116.6 | 0 | 0 | 0 | 112 | K190 A191 G231 K239 L240 | K190-Y235 HydrophobicContact CB-CD2 4.1Å; K190-Y235 HydrophobicContact CB-CE2 3.48Å; K190-Y235 VanDerWaalsContact CB-CE2 3.48Å; K190-Y235 HydrophobicContact CD-CE2 4.21Å; K190-Y235 VanDerWaalsContact CD-OH 3.27Å; K190-Y235 WeakPolarHBondContact CD-OH 3.49Å; A191-Y235 HydrophobicContact CB-CD1 4.49Å; A191-Y235 HydrophobicContact CB-CG 3.99Å; G231-Y235 VanDerWaalsContact O-CB 3.26Å; G231-Y235 WeakPolarHBondContact O-CB 3.27Å; G231-Y235 PolarHBondContact O-N 3.07Å; Y235-K239 HydrophobicContact CD1-CB 4.04Å; Y235-K239 HydrophobicContact CD2-CD 4.4Å; Y235-K239 HydrophobicContact CE1-CB 3.45Å; Y235-K239 VanDerWaalsContact CE1-CB 3.45Å; Y235-K239 HydrophobicContact CE2-CB 4.18Å; Y235-K239 HydrophobicContact CE2-CD 4.03Å; Y235-K239 VanDerWaalsContact CZ-CB 3.5Å; Y235-K239 VanDerWaalsContact O-CD 3.25Å; Y235-K239 WeakPolarHBondContact O-CD 3.34Å; Y235-K239 WeakPolarHBondContact O-CE 3.29Å; Y235-K239 PolarHBondContact O-NZ 3.43Å; Y235-L240 HydrophobicContact CD1-CB 4.22Å; Y235-L240 HydrophobicContact CE1-CB 4.36Å |
| 236 | G | 88.9 | Confident | 90.3 | Very high | 22 Ų | 22 | 51 Ų | 51 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | 97.2 | 141.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L232 M233 S234 D238 K239 L240 | L232-G236 PolarHBondContact O-N 2.78Å; M233-G236 PolarHBondContact O-N 3.17Å; S234-G236 VanDerWaalsContact C-N 3.35Å; G236-D238 PolarHBondContact O-N 2.93Å; G236-K239 PolarHBondContact O-N 2.9Å; G236-L240 PolarHBondContact O-N 3.25Å | ||
| 237 | R | 90.1 | Very high | 90.2 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 39% | 0.389 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.4 | -45.5 | -173.6 | 176.3 | 174 | 170 | 135.4 | -6 | 113.6 | L240 I241 L254 P255 | R237-L240 PolarHBondContact O-N 2.97Å; R237-I241 HydrophobicContact CG-CD1 3.9Å; R237-I241 WeakPolarHBondContact O-CG1 3.34Å; R237-I241 PolarHBondContact O-N 2.95Å; R237-L254 PolarHBondContact NE-O 3.06Å; R237-L254 PolarHBondContact NH1-O 2.88Å; R237-L254 PolarHBondContact NH2-O 2.87Å; R237-P255 PolarHBondContact NH1-O 2.77Å |
| 238 | D | 89.3 | Confident | 90 | Very high | 120 Ų | 120 | 54 Ų | 54 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.4 | -32.6 | -171.6 | -52.4 | -65.2 | 0 | 0 | 0 | 112.9 | G236 I241 A242 | G236-D238 PolarHBondContact O-N 2.93Å; D238-I241 PolarHBondContact O-N 2.9Å; D238-A242 PolarHBondContact O-N 2.81Å |
| 239 | K | 90.4 | Very high | 89.6 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 171.5 | -51.8 | -170.3 | -158.5 | 128.6 | 0 | 110.7 | Y235 G236 A242 D243 | Y235-K239 HydrophobicContact CD1-CB 4.04Å; Y235-K239 HydrophobicContact CD2-CD 4.4Å; Y235-K239 HydrophobicContact CE1-CB 3.45Å; Y235-K239 VanDerWaalsContact CE1-CB 3.45Å; Y235-K239 HydrophobicContact CE2-CB 4.18Å; Y235-K239 HydrophobicContact CE2-CD 4.03Å; Y235-K239 VanDerWaalsContact CZ-CB 3.5Å; Y235-K239 VanDerWaalsContact O-CD 3.25Å; Y235-K239 WeakPolarHBondContact O-CD 3.34Å; Y235-K239 WeakPolarHBondContact O-CE 3.29Å; Y235-K239 PolarHBondContact O-NZ 3.43Å; G236-K239 PolarHBondContact O-N 2.9Å; K239-A242 WeakPolarHBondContact O-CB 3.26Å; K239-A242 PolarHBondContact O-N 2.95Å; K239-D243 PolarHBondContact O-N 3.2Å |
| 240 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.1 | -175.7 | 57.9 | 0 | 0 | 0 | 112.3 | L232 Y235 G236 R237 L244 L254 P257 | L232-L240 HydrophobicContact CD2-CD1 4.05Å; L232-L240 HydrophobicContact CD2-CD2 4.01Å; Y235-L240 HydrophobicContact CD1-CB 4.22Å; Y235-L240 HydrophobicContact CE1-CB 4.36Å; G236-L240 PolarHBondContact O-N 3.25Å; R237-L240 PolarHBondContact O-N 2.97Å; L240-L244 HydrophobicContact CG-CD1 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.74Å; L240-L254 HydrophobicContact CB-CD2 4.3Å; L240-L254 HydrophobicContact CD2-CD2 3.61Å; L240-L254 HydrophobicContact CG-CD2 3.83Å; L240-P257 HydrophobicContact CD2-CB 4.49Å |
| 241 | I | 91.1 | Very high | 89 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 170.7 | -71.3 | 165 | 0 | 0 | 0 | 111.2 | R237 D238 L244 R245 L254 | R237-I241 HydrophobicContact CG-CD1 3.9Å; R237-I241 WeakPolarHBondContact O-CG1 3.34Å; R237-I241 PolarHBondContact O-N 2.95Å; D238-I241 PolarHBondContact O-N 2.9Å; I241-L244 PolarHBondContact O-N 3.26Å; I241-R245 HydrophobicContact CG2-CG 4.35Å; I241-R245 VanDerWaalsContact CG2-CZ 3.42Å; I241-R245 WeakPolarHBondContact O-CB 3.45Å; I241-R245 VanDerWaalsContact O-CG 3.31Å; I241-R245 WeakPolarHBondContact O-CG 3.43Å; I241-R245 PolarHBondContact O-N 2.82Å; I241-L254 HydrophobicContact CD1-CB 3.78Å; I241-L254 HydrophobicContact CG1-CB 3.54Å; I241-L254 HydrophobicContact CG1-CD2 4.17Å; I241-L254 HydrophobicContact CG1-CG 4.48Å |
| 242 | A | 90 | Very high | 88.6 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | D238 K239 R245 Q246 | D238-A242 PolarHBondContact O-N 2.81Å; K239-A242 WeakPolarHBondContact O-CB 3.26Å; K239-A242 PolarHBondContact O-N 2.95Å; A242-R245 PolarHBondContact O-N 2.79Å; A242-Q246 PolarHBondContact O-N 2.84Å; A242-Q246 PolarHBondContact O-NE2 3.14Å; A242-Q246 VanDerWaalsContact O-NE2 3.16Å |
| 243 | D | 91.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 173.5 | -85.9 | 10 | 0 | 0 | 0 | 112.7 | Q186 K190 K239 R245 Q246 | Q186-D243 VanDerWaalsContact CD-CG 3.48Å; Q186-D243 HydrophobicContact CG-CB 4.47Å; Q186-D243 WeakPolarHBondContact CG-OD2 3.39Å; Q186-D243 VanDerWaalsContact OE1-CG 3.3Å; Q186-D243 PolarHBondContact OE1-O 3.01Å; K190-D243 VanDerWaalsContact CD-OD2 3.3Å; K190-D243 WeakPolarHBondContact CD-OD2 3.37Å; K190-D243 VanDerWaalsContact CE-OD2 3.22Å; K190-D243 WeakPolarHBondContact CE-OD2 3.38Å; K190-D243 IonicContact NZ-OD1 2.67Å; K190-D243 PolarHBondContact NZ-OD1 2.76Å; K190-D243 IonicContact NZ-OD2 3.77Å; K190-D243 PolarHBondContact NZ-OD2 2.91Å; K239-D243 PolarHBondContact O-N 3.2Å; D243-R245 VanDerWaalsContact C-N 3.33Å; D243-R245 PolarHBondContact O-N 3.29Å; D243-Q246 PolarHBondContact O-N 2.68Å; D243-Q246 PolarHBondContact OD1-NE2 2.99Å |
| 244 | L | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 171.2 | -80.2 | 167.8 | 0 | 0 | 0 | 112 | L180 L184 L240 I241 Q246 Y247 L248 V251 L254 | L180-L244 HydrophobicContact CD1-CD2 3.97Å; L184-L244 HydrophobicContact CD2-CD1 4.42Å; L184-L244 HydrophobicContact CD2-CD2 3.94Å; L184-L244 HydrophobicContact CG-CD2 3.97Å; L240-L244 HydrophobicContact CG-CD1 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.74Å; I241-L244 PolarHBondContact O-N 3.26Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 3.02Å; L244-Y247 PolarHBondContact O-N 2.79Å; L244-L248 WeakPolarHBondContact O-CA 3.38Å; L244-L248 WeakPolarHBondContact O-CB 3.35Å; L244-L248 PolarHBondContact O-N 3.14Å; L244-V251 HydrophobicContact CB-CG2 4.5Å; L244-L254 HydrophobicContact CD1-CD1 3.82Å; L244-L254 HydrophobicContact CD1-CD2 4.37Å |
| 245 | R | 90.4 | Very high | 87.8 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.8 | -24.1 | -179.9 | -76.4 | 175.6 | -179.9 | 163.3 | 1.5 | 114 | I241 A242 D243 Y247 V251 T252 | I241-R245 HydrophobicContact CG2-CG 4.35Å; I241-R245 VanDerWaalsContact CG2-CZ 3.42Å; I241-R245 WeakPolarHBondContact O-CB 3.45Å; I241-R245 VanDerWaalsContact O-CG 3.31Å; I241-R245 WeakPolarHBondContact O-CG 3.43Å; I241-R245 PolarHBondContact O-N 2.82Å; A242-R245 PolarHBondContact O-N 2.79Å; D243-R245 VanDerWaalsContact C-N 3.33Å; D243-R245 PolarHBondContact O-N 3.29Å; R245-Y247 VanDerWaalsContact C-N 3.28Å; R245-Y247 PolarHBondContact O-N 2.79Å; R245-V251 HydrophobicContact CG-CB 4.23Å; R245-V251 PolarHBondContact NE-O 3.14Å; R245-T252 PolarHBondContact NH2-O 2.88Å |
| 246 | Q | 89.6 | Confident | 87.5 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -33.7 | 174.2 | -77.3 | 161.3 | 62.1 | 0 | 0 | 112.6 | A242 D243 L244 | A242-Q246 PolarHBondContact O-N 2.84Å; A242-Q246 PolarHBondContact O-NE2 3.14Å; A242-Q246 VanDerWaalsContact O-NE2 3.16Å; D243-Q246 PolarHBondContact O-N 2.68Å; D243-Q246 PolarHBondContact OD1-NE2 2.99Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 3.02Å |
| 247 | Y | 87.1 | Confident | 87.1 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 35% | 0.345 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -103.4 | -22.4 | 176.9 | -65.4 | -81 | 0 | 0 | 0 | 113.5 | N179 R182 Q186 L244 R245 | N179-Y247 WeakPolarHBondContact CB-O 3.39Å; N179-Y247 PolarHBondContact ND2-O 3.47Å; N179-Y247 WeakPolarHBondContact O-CB 3.23Å; R182-Y247 HydrophobicContact CB-CD1 3.89Å; R182-Y247 HydrophobicContact CB-CD2 4.31Å; R182-Y247 HydrophobicContact CB-CE1 4.04Å; R182-Y247 HydrophobicContact CB-CE2 4.41Å; R182-Y247 HydrophobicContact CB-CG 4.03Å; Q186-Y247 HydrophobicContact CB-CE2 4.17Å; L244-Y247 PolarHBondContact O-N 2.79Å; R245-Y247 VanDerWaalsContact C-N 3.28Å; R245-Y247 PolarHBondContact O-N 2.79Å |
| 248 | L | 86.4 | Confident | 87 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -140.5 | 72 | -170.3 | -144.6 | 74.4 | 0 | 0 | 0 | 110.5 | I165 Q176 N179 L180 L244 M250 V251 | I165-L248 HydrophobicContact CD1-CD2 3.88Å; Q176-L248 HydrophobicContact CB-CD1 4.16Å; N179-L248 HydrophobicContact CB-CD1 3.76Å; L180-L248 HydrophobicContact CB-CD2 4.05Å; L180-L248 HydrophobicContact CD1-CD2 4.19Å; L244-L248 WeakPolarHBondContact O-CA 3.38Å; L244-L248 WeakPolarHBondContact O-CB 3.35Å; L244-L248 PolarHBondContact O-N 3.14Å; L248-M250 HydrophobicContact CG-CG 4Å; L248-M250 PolarHBondContact O-N 2.92Å; L248-V251 HydrophobicContact CB-CG2 4.01Å; L248-V251 HydrophobicContact CD2-CG2 3.87Å; L248-V251 HydrophobicContact CG-CG2 4.23Å; L248-V251 WeakPolarHBondContact O-CB 3.19Å; L248-V251 VanDerWaalsContact O-CG2 3.31Å; L248-V251 WeakPolarHBondContact O-CG2 3.26Å; L248-V251 PolarHBondContact O-N 2.68Å | ||
| 249 | P | 83.8 | Confident | 86.9 | Confident | 108 Ų | 108 | 46.3 Ų | 46.3 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.9 | -172.8 | 24.9 | -35.6 | 0 | 0 | 0 | 114.5 | V251 | P249-V251 VanDerWaalsContact C-N 3.25Å; P249-V251 PolarHBondContact O-N 2.88Å |
| 250 | M | 82.4 | Confident | 86.7 | Confident | 60 Ų | 60 | 44.2 Ų | 44.2 | 30% | 0.296 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3.1 | 173.4 | 50.6 | 175.7 | 66.7 | 0 | 0 | 114.8 | I165 Y166 V167 L248 T252 | I165-M250 WeakPolarHBondContact CA-O 3.33Å; I165-M250 HydrophobicContact CG2-CB 3.82Å; I165-M250 HydrophobicContact CG2-CG 3.51Å; I165-M250 WeakPolarHBondContact CG2-O 3.42Å; I165-M250 HydrophobicContact CG2-SD 3.7Å; Y166-M250 PolarHBondContact N-O 2.81Å; V167-M250 HydrophobicContact CG2-SD 4.17Å; L248-M250 HydrophobicContact CG-CG 4Å; L248-M250 PolarHBondContact O-N 2.92Å; M250-T252 PolarHBondContact O-N 3.2Å |
| 251 | V | 85.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 105.9 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | V163 I165 L244 R245 L248 P249 | V163-V251 HydrophobicContact CG1-CB 4.29Å; V163-V251 HydrophobicContact CG1-CG1 3.64Å; V163-V251 HydrophobicContact CG1-CG2 3.71Å; I165-V251 HydrophobicContact CD1-CG2 4.48Å; I165-V251 HydrophobicContact CG1-CG2 4.32Å; L244-V251 HydrophobicContact CB-CG2 4.5Å; R245-V251 HydrophobicContact CG-CB 4.23Å; R245-V251 PolarHBondContact NE-O 3.14Å; L248-V251 HydrophobicContact CB-CG2 4.01Å; L248-V251 HydrophobicContact CD2-CG2 3.87Å; L248-V251 HydrophobicContact CG-CG2 4.23Å; L248-V251 WeakPolarHBondContact O-CB 3.19Å; L248-V251 VanDerWaalsContact O-CG2 3.31Å; L248-V251 WeakPolarHBondContact O-CG2 3.26Å; L248-V251 PolarHBondContact O-N 2.68Å; P249-V251 VanDerWaalsContact C-N 3.25Å; P249-V251 PolarHBondContact O-N 2.88Å |
| 252 | T | 82.3 | Confident | 85.9 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -48.7 | 179.5 | 49 | 0 | 0 | 0 | 0 | 111.2 | S164 R245 M250 | S164-T252 PolarHBondContact O-N 3.22Å; S164-T252 PolarHBondContact O-OG1 3.41Å; S164-T252 VanDerWaalsContact O-OG1 3.07Å; S164-T252 PolarHBondContact OG-OG1 3.48Å; R245-T252 PolarHBondContact NH2-O 2.88Å; M250-T252 PolarHBondContact O-N 3.2Å |
| 253 | A | 84.6 | Confident | 85.2 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S164 | S164-A253 PolarHBondContact N-O 2.98Å; S164-A253 WeakPolarHBondContact OG-CA 3.27Å; S164-A253 WeakPolarHBondContact OG-CB 3.39Å; S164-A253 PolarHBondContact OG-N 2.98Å; S164-A253 PolarHBondContact OG-O 2.67Å |
| 254 | L | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 73 | 178.4 | -168 | 70.3 | 0 | 0 | 0 | 109.2 | T161 V162 V163 R237 L240 I241 L244 L256 P257 | T161-L254 HydrophobicContact CG2-CD1 3.56Å; T161-L254 HydrophobicContact CG2-CG 4.36Å; V162-L254 CarbonylContact O-C 3.59Å; V163-L254 HydrophobicContact CB-CD1 4.17Å; V163-L254 HydrophobicContact CG1-CD1 4.22Å; V163-L254 HydrophobicContact CG2-CD1 3.72Å; R237-L254 PolarHBondContact NE-O 3.06Å; R237-L254 PolarHBondContact NH1-O 2.88Å; R237-L254 PolarHBondContact NH2-O 2.87Å; L240-L254 HydrophobicContact CB-CD2 4.3Å; L240-L254 HydrophobicContact CD2-CD2 3.61Å; L240-L254 HydrophobicContact CG-CD2 3.83Å; I241-L254 HydrophobicContact CD1-CB 3.78Å; I241-L254 HydrophobicContact CG1-CB 3.54Å; I241-L254 HydrophobicContact CG1-CD2 4.17Å; I241-L254 HydrophobicContact CG1-CG 4.48Å; L244-L254 HydrophobicContact CD1-CD1 3.82Å; L244-L254 HydrophobicContact CD1-CD2 4.37Å; L254-L256 PolarHBondContact O-N 3.33Å; L254-P257 HydrophobicContact CD2-CB 3.86Å; L254-P257 HydrophobicContact CG-CB 4.37Å |
| 255 | P | 80.8 | Confident | 84.1 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.1 | -42.4 | -173.2 | -33.5 | 35 | 0 | 0 | 0 | 114.8 | V162 R237 | V162-P255 HydrophobicContact CG1-CB 4.4Å; V162-P255 VanDerWaalsContact O-CD 3.23Å; V162-P255 WeakPolarHBondContact O-CD 3.47Å; R237-P255 PolarHBondContact NH1-O 2.77Å |
| 256 | L | 84.8 | Confident | 83.7 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 101.8 | -179.1 | -144.3 | 171.7 | 0 | 0 | 0 | 108.2 | V162 L254 V258 A259 | V162-L256 HydrophobicContact CB-CB 3.74Å; V162-L256 HydrophobicContact CG2-CB 3.74Å; V162-L256 HydrophobicContact CG2-CD1 4.26Å; V162-L256 PolarHBondContact N-O 3.1Å; V162-L256 PolarHBondContact O-N 2.95Å; L254-L256 PolarHBondContact O-N 3.33Å; L256-V258 WeakPolarHBondContact CD2-O 3.46Å; L256-A259 HydrophobicContact CD2-CB 3.76Å |
| 257 | P | 81.4 | Confident | 83.3 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 21% | 0.214 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -40 | -169.5 | 25.9 | -33.9 | 0 | 0 | 0 | 112.8 | T161 L240 L254 | T161-P257 WeakPolarHBondContact CB-O 3.37Å; T161-P257 VanDerWaalsContact CG2-O 3.26Å; T161-P257 WeakPolarHBondContact CG2-O 3.46Å; T161-P257 PolarHBondContact OG1-O 2.85Å; L240-P257 HydrophobicContact CD2-CB 4.49Å; L254-P257 HydrophobicContact CD2-CB 3.86Å; L254-P257 HydrophobicContact CG-CB 4.37Å |
| 258 | V | 88.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 144 | 178.1 | 73 | 0 | 0 | 0 | 0 | 110.4 | V159 K160 A229 L232 M233 L256 | V159-V258 HydrophobicContact CG1-CG2 3.36Å; K160-V258 CarbonylContact O-C 3.46Å; K160-V258 WeakPolarHBondContact O-CA 3.41Å; A229-V258 HydrophobicContact CB-CG1 4.08Å; A229-V258 HydrophobicContact CB-CG2 4.11Å; L232-V258 HydrophobicContact CB-CB 4.16Å; L232-V258 HydrophobicContact CB-CG1 4.17Å; L232-V258 HydrophobicContact CB-CG2 4.38Å; L232-V258 HydrophobicContact CD1-CB 4.21Å; L232-V258 HydrophobicContact CD1-CG2 3.86Å; M233-V258 HydrophobicContact CG-CG1 3.82Å; L256-V258 WeakPolarHBondContact CD2-O 3.46Å |
| 259 | A | 86.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K160 L256 | K160-A259 HydrophobicContact CB-CB 4.47Å; K160-A259 PolarHBondContact N-O 3.08Å; K160-A259 PolarHBondContact O-N 3.04Å; L256-A259 HydrophobicContact CD2-CB 3.76Å |
| 260 | L | 86.1 | Confident | 83.2 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 147 | 167.6 | -66.7 | 103 | 0 | 0 | 0 | 110.6 | P225 R262 | P225-L260 HydrophobicContact CB-CD2 3.85Å; P225-L260 HydrophobicContact CB-CG 4.05Å; P225-L260 HydrophobicContact CG-CD2 4.43Å; L260-R262 VanDerWaalsContact CB-O 3.32Å; L260-R262 WeakPolarHBondContact CB-O 3.45Å |
| 261 | W | 84.5 | Confident | 83.6 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -64.9 | -40.6 | 177 | 176.7 | -113.4 | 0 | 0 | 0 | 112.8 | W158 K160 A213 | W158-W261 HydrophobicContact CB-CB 3.65Å; W158-W261 HydrophobicContact CB-CG 3.91Å; W158-W261 AromaticContact CE3-CD1 3.81Å; W158-W261 HydrophobicContact CE3-CD2 4.18Å; W158-W261 AromaticContact CE3-CE2 3.87Å; W158-W261 HydrophobicContact CE3-CG 4.16Å; W158-W261 HydrophobicContact CE3-CZ2 4.46Å; W158-W261 AromaticContact CE3-NE1 3.62Å; W158-W261 HydrophobicContact CZ3-CZ2 4.49Å; W158-W261 WeakPolarHBondContact O-CB 3.38Å; W158-W261 PolarHBondContact O-N 2.86Å; W158-W261 VanDerWaalsContact O-N 3.07Å; K160-W261 HydrophobicContact CB-CE3 4.3Å; A213-W261 HydrophobicContact CB-CD2 4.41Å; A213-W261 HydrophobicContact CB-CE3 3.78Å; A213-W261 HydrophobicContact CB-CH2 4.16Å; A213-W261 HydrophobicContact CB-CZ3 3.65Å |
| 262 | R | 80 | Confident | 83.9 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -100.4 | 141.9 | 171 | -60 | -176 | 179.2 | -161.6 | 1.9 | 109.5 | E155 L260 | E155-R262 IonicContact OE2-CZ 2.78Å; E155-R262 IonicContact OE2-NE 3.84Å; E155-R262 PolarHBondContact OE2-NE 3.06Å; E155-R262 IonicContact OE2-NH2 2.68Å; E155-R262 PolarHBondContact OE2-NH2 2.78Å; L260-R262 VanDerWaalsContact CB-O 3.32Å; L260-R262 WeakPolarHBondContact CB-O 3.45Å |
| 263 | S | 75.1 | Confident | 84.3 | Confident | 118 Ų | 118 | 48.4 Ų | 48.4 | 83% | 0.825 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 135 | 173.2 | 50.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 264 | S | 78.3 | Confident | 84.7 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 51% | 0.51 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 140.1 | 167.1 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 265 | P | 81.8 | Confident | 84.9 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 156.9 | 168.6 | -25.2 | 37.2 | 0 | 0 | 0 | 111.9 | F269 Q270 T336 F343 | P265-F269 HydrophobicContact CB-CB 4.33Å; P265-Q270 PolarHBondContact O-NE2 2.83Å; P265-T336 HydrophobicContact CB-CG2 4.15Å; P265-T336 HydrophobicContact CG-CG2 3.98Å; P265-F343 HydrophobicContact CB-CD1 4.23Å; P265-F343 HydrophobicContact CB-CE1 3.92Å; P265-F343 HydrophobicContact CB-CZ 4.12Å; P265-F343 HydrophobicContact CG-CD1 4.04Å; P265-F343 HydrophobicContact CG-CE1 3.26Å; P265-F343 HydrophobicContact CG-CE2 4.27Å; P265-F343 HydrophobicContact CG-CZ 3.4Å; P265-F343 VanDerWaalsContact CG-CZ 3.4Å |
| 266 | A | 82.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 152.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G268 F269 | A266-G268 VanDerWaalsContact C-N 3.32Å; A266-G268 PolarHBondContact O-N 3.34Å; A266-F269 HydrophobicContact CB-CD2 3.97Å; A266-F269 HydrophobicContact CB-CE2 4.17Å; A266-F269 PolarHBondContact O-N 2.99Å |
| 267 | T | 80.7 | Confident | 85.1 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -55.7 | -39.4 | -172.7 | 29.6 | 0 | 0 | 0 | 0 | 113.5 | F269 Q270 E377 | T267-F269 PolarHBondContact O-N 3.32Å; T267-Q270 WeakPolarHBondContact O-CB 3.4Å; T267-Q270 PolarHBondContact O-N 2.89Å; T267-E377 WeakPolarHBondContact CB-OE2 3.42Å; T267-E377 PolarHBondContact OG1-OE2 3.16Å |
| 268 | G | 78.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -62.4 | -2.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | A266 N345 G346 E377 | A266-G268 VanDerWaalsContact C-N 3.32Å; A266-G268 PolarHBondContact O-N 3.34Å; G268-N345 PolarHBondContact O-OD1 3.05Å; G268-G346 PolarHBondContact O-N 3.22Å; G268-E377 PolarHBondContact N-OE2 3.31Å |
| 269 | F | 86.8 | Confident | 84.5 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -106.5 | -2.9 | 168.7 | -57.9 | -74.9 | 0 | 0 | 0 | 113.2 | P265 A266 T267 T336 F343 L344 | P265-F269 HydrophobicContact CB-CB 4.33Å; A266-F269 HydrophobicContact CB-CD2 3.97Å; A266-F269 HydrophobicContact CB-CE2 4.17Å; A266-F269 PolarHBondContact O-N 2.99Å; T267-F269 PolarHBondContact O-N 3.32Å; F269-T336 WeakPolarHBondContact O-CG2 3.24Å; F269-F343 HydrophobicContact CB-CB 4.27Å; F269-F343 HydrophobicContact CD1-CB 3.59Å; F269-F343 HydrophobicContact CE1-CB 4.07Å; F269-F343 HydrophobicContact CG-CB 3.94Å; F269-L344 WeakPolarHBondContact CD1-O 3.35Å |
| 270 | Q | 90.6 | Very high | 83.7 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139.5 | -173.6 | -52.6 | -175.6 | 22.9 | 0 | 0 | 112.2 | P265 T267 L320 V334 Y335 T336 L376 | P265-Q270 PolarHBondContact O-NE2 2.83Å; T267-Q270 WeakPolarHBondContact O-CB 3.4Å; T267-Q270 PolarHBondContact O-N 2.89Å; Q270-L320 HydrophobicContact CG-CD1 3.83Å; Q270-V334 HydrophobicContact CB-CG1 4.3Å; Q270-Y335 WeakPolarHBondContact CA-O 3.46Å; Q270-T336 HydrophobicContact CB-CG2 4.4Å; Q270-T336 HydrophobicContact CG-CG2 3.91Å; Q270-L376 HydrophobicContact CB-CB 4.27Å; Q270-L376 HydrophobicContact CB-CD1 3.75Å; Q270-L376 PolarHBondContact O-N 2.92Å |
| 271 | L | 90.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151.8 | 176.7 | -75.4 | 174.5 | 0 | 0 | 0 | 110.4 | F301 V334 Y335 V337 G346 A349 A373 E374 P375 | L271-F301 HydrophobicContact CD1-CE1 4.48Å; L271-F301 HydrophobicContact CD1-CZ 3.75Å; L271-V334 CarbonylContact O-C 3.51Å; L271-V334 VanDerWaalsContact O-CA 3.27Å; L271-V334 WeakPolarHBondContact O-CA 3.46Å; L271-Y335 HydrophobicContact CB-CD1 4.46Å; L271-Y335 HydrophobicContact CB-CD2 4.08Å; L271-Y335 HydrophobicContact CB-CE1 4.05Å; L271-Y335 HydrophobicContact CB-CE2 3.64Å; L271-Y335 HydrophobicContact CB-CG 4.47Å; L271-Y335 HydrophobicContact CD1-CD2 4.27Å; L271-Y335 HydrophobicContact CD1-CE2 3.45Å; L271-Y335 VanDerWaalsContact CD1-CE2 3.45Å; L271-Y335 HydrophobicContact CG-CE2 4.2Å; L271-Y335 PolarHBondContact N-O 2.98Å; L271-Y335 PolarHBondContact O-N 3.09Å; L271-V337 HydrophobicContact CD1-CG2 4.07Å; L271-G346 WeakPolarHBondContact CD2-O 3.42Å; L271-A349 HydrophobicContact CD1-CB 3.65Å; L271-A349 HydrophobicContact CG-CB 4.46Å; L271-A373 HydrophobicContact CD2-CB 4.31Å; L271-E374 CarbonylContact C-O 3.55Å; L271-E374 WeakPolarHBondContact CA-O 3.44Å; L271-P375 HydrophobicContact CD2-CB 4.36Å |
| 272 | K | 90.9 | Very high | 83 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.7 | 176.5 | 175.6 | -179.3 | 158 | -138.8 | 0 | 109.7 | V274 L333 A373 E374 L376 | K272-V274 HydrophobicContact CG-CG2 4.38Å; K272-L333 WeakPolarHBondContact CA-O 3.44Å; K272-A373 WeakPolarHBondContact O-CA 3.27Å; K272-E374 HydrophobicContact CB-CB 4.46Å; K272-E374 WeakPolarHBondContact CD-OE2 3.41Å; K272-E374 WeakPolarHBondContact CE-OE2 3.16Å; K272-E374 PolarHBondContact N-O 2.64Å; K272-E374 IonicContact NZ-OE2 2.73Å; K272-E374 PolarHBondContact NZ-OE2 2.81Å; K272-E374 PolarHBondContact O-N 3.32Å; K272-L376 HydrophobicContact CB-CD2 4.31Å; K272-L376 HydrophobicContact CB-CG 4.16Å; K272-L376 HydrophobicContact CD-CD2 4.17Å |
| 273 | T | 91.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.6 | 170.2 | -65.7 | 0 | 0 | 0 | 0 | 107.6 | L275 L333 Y335 L365 P369 I371 I372 | T273-L275 HydrophobicContact CG2-CD2 3.85Å; T273-L275 HydrophobicContact CG2-CG 4.45Å; T273-L333 PolarHBondContact N-O 3.34Å; T273-L333 PolarHBondContact O-N 3.14Å; T273-Y335 WeakPolarHBondContact OG1-CE1 3.37Å; T273-Y335 PolarHBondContact OG1-OH 3.09Å; T273-L365 HydrophobicContact CG2-CD1 4.28Å; T273-P369 HydrophobicContact CG2-CB 4.41Å; T273-I371 WeakPolarHBondContact CA-O 3.13Å; T273-I371 WeakPolarHBondContact CG2-O 3.41Å; T273-I372 WeakPolarHBondContact CB-O 3.47Å; T273-I372 WeakPolarHBondContact CG2-O 3.41Å; T273-I372 PolarHBondContact OG1-O 2.76Å |
| 274 | V | 91.8 | Very high | 83.8 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.7 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | K272 A330 P369 L370 I371 | K272-V274 HydrophobicContact CG-CG2 4.38Å; V274-A330 HydrophobicContact CG1-CB 4.26Å; V274-P369 CarbonylContact O-C 3.58Å; V274-P369 VanDerWaalsContact O-CA 3.28Å; V274-P369 WeakPolarHBondContact O-CA 3.29Å; V274-L370 HydrophobicContact CB-CB 4.38Å; V274-L370 HydrophobicContact CG1-CB 4.27Å; V274-L370 HydrophobicContact CG1-CD1 4.18Å; V274-L370 PolarHBondContact O-N 3.26Å; V274-I371 HydrophobicContact CB-CB 4.06Å; V274-I371 HydrophobicContact CB-CD1 4.46Å; V274-I371 HydrophobicContact CB-CG1 4.25Å; V274-I371 HydrophobicContact CG2-CB 4.12Å; V274-I371 HydrophobicContact CG2-CD1 3.93Å; V274-I371 HydrophobicContact CG2-CG1 4.23Å; V274-I371 PolarHBondContact N-O 3.22Å; V274-I371 PolarHBondContact O-N 3.12Å |
| 275 | L | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142.2 | 179 | -57.9 | -179.5 | 0 | 0 | 0 | 110.9 | T273 V278 M293 A330 V331 L333 L365 Y367 P369 | T273-L275 HydrophobicContact CG2-CD2 3.85Å; T273-L275 HydrophobicContact CG2-CG 4.45Å; L275-V278 HydrophobicContact CB-CG2 4.13Å; L275-V278 HydrophobicContact CD1-CG2 4.38Å; L275-M293 HydrophobicContact CD1-CE 3.9Å; L275-M293 HydrophobicContact CD1-SD 4.3Å; L275-A330 CarbonylContact O-C 3.49Å; L275-A330 VanDerWaalsContact O-CA 3.25Å; L275-A330 WeakPolarHBondContact O-CA 3.36Å; L275-V331 PolarHBondContact N-O 3.2Å; L275-V331 PolarHBondContact O-N 3.24Å; L275-L333 HydrophobicContact CD1-CD1 3.68Å; L275-L333 HydrophobicContact CD1-CG 4.34Å; L275-L333 HydrophobicContact CG-CD1 4.15Å; L275-L365 HydrophobicContact CD2-CD1 3.83Å; L275-Y367 HydrophobicContact CD1-CD2 3.85Å; L275-Y367 HydrophobicContact CD1-CG 4.36Å; L275-P369 HydrophobicContact CD2-CB 4.32Å |
| 276 | Q | 87.7 | Confident | 84.5 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -98.6 | 152.6 | 169.4 | -146.6 | -179.8 | 10.2 | 0 | 0 | 110.1 | V278 P368 L370 | Q276-V278 PolarHBondContact O-N 3.16Å; Q276-P368 HydrophobicContact CB-CG 4.24Å; Q276-P368 PolarHBondContact N-O 2.94Å; Q276-L370 HydrophobicContact CB-CD1 4.45Å; Q276-L370 HydrophobicContact CB-CD2 4.31Å; Q276-L370 HydrophobicContact CB-CG 4.04Å; Q276-L370 HydrophobicContact CG-CD1 4.25Å; Q276-L370 HydrophobicContact CG-CD2 4.14Å; Q276-L370 HydrophobicContact CG-CG 4.18Å |
| 277 | F | 81.4 | Confident | 84.8 | Confident | 128 Ų | 128 | 46.5 Ų | 46.5 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | trans | 54 | 44.3 | 169 | -49.7 | -61.2 | 0 | 0 | 0 | 115.1 | G279 P329 P368 | F277-G279 PolarHBondContact O-N 3.33Å; F277-P329 PolarHBondContact N-O 3.26Å; F277-P368 HydrophobicContact CD2-CG 4.19Å | ||
| 278 | V | 83.6 | Confident | 85.2 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | trans | -62.9 | 119.7 | 166.2 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | L275 Q276 D282 F289 V331 Y367 | L275-V278 HydrophobicContact CB-CG2 4.13Å; L275-V278 HydrophobicContact CD1-CG2 4.38Å; Q276-V278 PolarHBondContact O-N 3.16Å; V278-D282 HydrophobicContact CG1-CB 4.32Å; V278-F289 HydrophobicContact CG1-CE2 3.81Å; V278-F289 HydrophobicContact CG1-CZ 4.2Å; V278-F289 HydrophobicContact CG2-CZ 4.33Å; V278-V331 HydrophobicContact CB-CG2 3.93Å; V278-V331 HydrophobicContact CG2-CB 3.89Å; V278-V331 HydrophobicContact CG2-CG2 3.61Å; V278-Y367 HydrophobicContact CG1-CE1 4.36Å; V278-Y367 HydrophobicContact CG2-CD1 4.33Å; V278-Y367 HydrophobicContact CG2-CG 4.3Å | ||
| 279 | G | 75 | Confident | 85.8 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | trans | -71.5 | 149 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | F277 G281 D282 | F277-G279 PolarHBondContact O-N 3.33Å; G279-G281 PolarHBondContact O-N 3.29Å; G279-D282 PolarHBondContact O-N 2.97Å | ||
| 280 | A | 70.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 45.9 Ų | 45.9 | 98% | 0.983 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 281 | G | 72.4 | Confident | 85.9 | Confident | 78 Ų | 78 | 46.4 Ų | 46.4 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G279 | G279-G281 PolarHBondContact O-N 3.29Š|
| 282 | D | 82.7 | Confident | 86 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -113 | 90.1 | -179.5 | -71.1 | -54.7 | 0 | 0 | 0 | 109.8 | V278 G279 P284 F289 M292 Y367 | V278-D282 HydrophobicContact CG1-CB 4.32Å; G279-D282 PolarHBondContact O-N 2.97Å; D282-P284 VanDerWaalsContact O-CD 3.3Å; D282-P284 WeakPolarHBondContact O-CD 3.31Å; D282-F289 HydrophobicContact CB-CD2 4.11Å; D282-M292 HydrophobicContact CB-CE 4.39Å; D282-M292 WeakPolarHBondContact OD1-CE 3.48Å; D282-Y367 VanDerWaalsContact CG-OH 3.26Å; D282-Y367 PolarHBondContact OD2-OH 3.17Å |
| 283 | D | 85.1 | Confident | 86 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | trans | -65.1 | 117.5 | 177.8 | 172.6 | 22.9 | 0 | 0 | 0 | 111.1 | R285 S286 F289 | D283-R285 PolarHBondContact O-N 3.2Å; D283-R285 VanDerWaalsContact OD1-CB 3.31Å; D283-R285 WeakPolarHBondContact OD1-CB 3.3Å; D283-R285 PolarHBondContact OD1-N 3.24Å; D283-S286 VanDerWaalsContact O-CB 3.3Å; D283-S286 WeakPolarHBondContact O-CB 3.11Å; D283-S286 PolarHBondContact O-N 3.37Å; D283-S286 PolarHBondContact O-OG 3.38Å; D283-F289 VanDerWaalsContact O-CB 3.3Å; D283-F289 WeakPolarHBondContact O-CB 3.08Å | ||
| 284 | P | 85.6 | Confident | 86 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.6 | 177.7 | 28.2 | -35.3 | 0 | 0 | 0 | 113.3 | D282 S286 F289 V322 V331 | D282-P284 VanDerWaalsContact O-CD 3.3Å; D282-P284 WeakPolarHBondContact O-CD 3.31Å; P284-S286 VanDerWaalsContact C-N 3.27Å; P284-F289 HydrophobicContact CB-CD1 4.19Å; P284-F289 HydrophobicContact CB-CE1 4.06Å; P284-V322 HydrophobicContact CB-CG1 3.83Å; P284-V322 WeakPolarHBondContact O-CG1 3.32Å; P284-V331 HydrophobicContact CB-CG1 4Å; P284-V331 HydrophobicContact CB-CG2 4.11Å; P284-V331 HydrophobicContact CG-CG2 4.24Å |
| 285 | R | 86.3 | Confident | 86.1 | Confident | 133 Ų | 133 | 52 Ų | 52 | 50% | 0.502 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.8 | 172.6 | -54.6 | 177.5 | -179.9 | -176.5 | -0.4 | 113.1 | Y223 P224 V227 D283 | Y223-R285 HydrophobicContact CD1-CB 4.34Å; Y223-R285 WeakPolarHBondContact CD1-O 3.23Å; Y223-R285 HydrophobicContact CE1-CB 4.34Å; P224-R285 WeakPolarHBondContact CD-O 2.93Å; V227-R285 HydrophobicContact CG1-CB 4.25Å; V227-R285 HydrophobicContact CG1-CG 4.25Å; V227-R285 HydrophobicContact CG2-CB 4.31Å; V227-R285 HydrophobicContact CG2-CG 4.24Å; D283-R285 PolarHBondContact O-N 3.2Å; D283-R285 VanDerWaalsContact OD1-CB 3.31Å; D283-R285 WeakPolarHBondContact OD1-CB 3.3Å; D283-R285 PolarHBondContact OD1-N 3.24Å |
| 286 | S | 88.9 | Confident | 86.1 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -91.5 | 139.9 | 178.5 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | D283 P284 R288 F289 L290 | D283-S286 VanDerWaalsContact O-CB 3.3Å; D283-S286 WeakPolarHBondContact O-CB 3.11Å; D283-S286 PolarHBondContact O-N 3.37Å; D283-S286 PolarHBondContact O-OG 3.38Å; P284-S286 VanDerWaalsContact C-N 3.27Å; S286-R288 PolarHBondContact O-N 3.25Å; S286-F289 PolarHBondContact O-N 3.17Å; S286-F289 WeakPolarHBondContact OG-CB 3.08Å; S286-F289 PolarHBondContact OG-N 2.94Å; S286-F289 VanDerWaalsContact OG-N 3.09Å; S286-L290 PolarHBondContact O-N 2.71Å |
| 287 | C | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.8 | -34.6 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | C151 L157 V222 L290 Q291 | C151-C287 HydrophobicContact CB-CB 3.71Å; C151-C287 WeakPolarHBondContact CB-SG 3.03Å; C151-C287 WeakPolarHBondContact SG-CB 3.29Å; C151-C287 PolarHBondContact SG-O 3.44Å; C151-C287 CovalentContact SG-SG 2.02Å; C151-C287 PolarHBondContact SG-SG 3.14Å; L157-C287 WeakPolarHBondContact CD1-SG 3.32Å; L157-C287 HydrophobicContact CD2-CB 4.19Å; L157-C287 WeakPolarHBondContact CD2-SG 3.38Å; V222-C287 HydrophobicContact CB-CB 3.74Å; V222-C287 HydrophobicContact CG1-CB 4.25Å; V222-C287 WeakPolarHBondContact O-CB 3.5Å; V222-C287 PolarHBondContact O-N 2.73Å; C287-L290 PolarHBondContact O-N 2.85Å; C287-Q291 PolarHBondContact O-N 3.4Å |
| 288 | R | 89.4 | Confident | 87 | Confident | 134 Ų | 134 | 49.4 Ų | 49.4 | 51% | 0.506 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 177.6 | 175.1 | 175.4 | 156.2 | 176.9 | -9.1 | 111.6 | S286 L290 M292 | S286-R288 PolarHBondContact O-N 3.25Å; R288-L290 VanDerWaalsContact C-N 3.35Å; R288-M292 WeakPolarHBondContact O-CB 3.5Å; R288-M292 PolarHBondContact O-N 3.31Å |
| 289 | F | 90.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.1 | 176.8 | -100.2 | 0 | 0 | 0 | 111.4 | V278 D282 D283 P284 S286 M292 M293 V322 V331 L333 Y367 | V278-F289 HydrophobicContact CG1-CE2 3.81Å; V278-F289 HydrophobicContact CG1-CZ 4.2Å; V278-F289 HydrophobicContact CG2-CZ 4.33Å; D282-F289 HydrophobicContact CB-CD2 4.11Å; D283-F289 VanDerWaalsContact O-CB 3.3Å; D283-F289 WeakPolarHBondContact O-CB 3.08Å; P284-F289 HydrophobicContact CB-CD1 4.19Å; P284-F289 HydrophobicContact CB-CE1 4.06Å; S286-F289 PolarHBondContact O-N 3.17Å; S286-F289 WeakPolarHBondContact OG-CB 3.08Å; S286-F289 PolarHBondContact OG-N 2.94Å; S286-F289 VanDerWaalsContact OG-N 3.09Å; F289-M292 HydrophobicContact CD2-CE 4Å; F289-M292 HydrophobicContact CD2-SD 4.36Å; F289-M292 PolarHBondContact O-N 3.45Å; F289-M293 HydrophobicContact CD1-CG 4.27Å; F289-M293 HydrophobicContact CD2-CG 4.17Å; F289-M293 HydrophobicContact CE1-CG 3.91Å; F289-M293 HydrophobicContact CE2-CG 3.79Å; F289-M293 HydrophobicContact CE2-SD 4.25Å; F289-M293 HydrophobicContact CG-CG 4.41Å; F289-M293 HydrophobicContact CZ-CG 3.65Å; F289-M293 HydrophobicContact CZ-SD 4.36Å; F289-M293 WeakPolarHBondContact O-CB 3.24Å; F289-M293 WeakPolarHBondContact O-CG 3.35Å; F289-M293 PolarHBondContact O-N 2.75Å; F289-V322 HydrophobicContact CD1-CG1 4.31Å; F289-V322 HydrophobicContact CE1-CG1 3.94Å; F289-V331 HydrophobicContact CE1-CG1 4.25Å; F289-V331 HydrophobicContact CZ-CG1 4.4Å; F289-L333 HydrophobicContact CE1-CD2 3.97Å; F289-Y367 AromaticContact CE2-CE2 3.85Å; F289-Y367 HydrophobicContact CE2-CE2 3.85Å |
| 290 | L | 90.3 | Very high | 88.2 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 177.9 | -170.1 | 154.6 | 0 | 0 | 0 | 112.1 | P224 S286 C287 R288 M292 M293 E294 I319 V322 | P224-L290 HydrophobicContact CB-CD1 3.77Å; S286-L290 PolarHBondContact O-N 2.71Å; C287-L290 PolarHBondContact O-N 2.85Å; R288-L290 VanDerWaalsContact C-N 3.35Å; L290-M292 PolarHBondContact O-N 2.85Å; L290-M293 PolarHBondContact O-N 3.43Å; L290-E294 HydrophobicContact CD2-CG 4.05Å; L290-E294 PolarHBondContact O-N 2.79Å; L290-I319 HydrophobicContact CD1-CB 4.29Å; L290-I319 HydrophobicContact CD1-CG2 3.9Å; L290-I319 HydrophobicContact CD2-CB 4.17Å; L290-I319 HydrophobicContact CG-CB 3.97Å; L290-I319 HydrophobicContact CG-CD1 4.27Å; L290-I319 HydrophobicContact CG-CG2 3.95Å; L290-V322 HydrophobicContact CD1-CG2 4.35Å |
| 291 | Q | 90.1 | Very high | 89.3 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | 179.3 | -71.3 | -171.9 | -4.8 | 0 | 0 | 112.8 | C151 N152 C287 E294 Q295 | C151-Q291 PolarHBondContact SG-NE2 2.93Å; C151-Q291 VanDerWaalsContact SG-NE2 3.39Å; C151-Q291 PolarHBondContact SG-OE1 2.82Å; C151-Q291 VanDerWaalsContact SG-OE1 3.37Å; N152-Q291 PolarHBondContact O-NE2 2.79Å; C287-Q291 PolarHBondContact O-N 3.4Å; Q291-E294 PolarHBondContact O-N 3.41Å; Q291-Q295 WeakPolarHBondContact O-CG 3.31Å; Q291-Q295 PolarHBondContact O-N 3.11Å; Q291-Q295 VanDerWaalsContact O-N 3.11Å |
| 292 | M | 91 | Very high | 90.1 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 16% | 0.158 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.1 | 174 | -116.8 | -76.7 | 0 | 0 | 111.5 | D282 R288 F289 L290 R296 Y367 | D282-M292 HydrophobicContact CB-CE 4.39Å; D282-M292 WeakPolarHBondContact OD1-CE 3.48Å; R288-M292 WeakPolarHBondContact O-CB 3.5Å; R288-M292 PolarHBondContact O-N 3.31Å; F289-M292 HydrophobicContact CD2-CE 4Å; F289-M292 HydrophobicContact CD2-SD 4.36Å; F289-M292 PolarHBondContact O-N 3.45Å; L290-M292 PolarHBondContact O-N 2.85Å; M292-R296 WeakPolarHBondContact O-CB 3.48Å; M292-R296 VanDerWaalsContact O-CG 3.29Å; M292-R296 WeakPolarHBondContact O-CG 3.34Å; M292-R296 PolarHBondContact O-N 3.01Å; M292-R296 PolarHBondContact SD-NH1 2.81Å; M292-R296 PolarHBondContact SD-NH2 2.87Å; M292-R296 VanDerWaalsContact SD-NH2 3.41Å; M292-Y367 HydrophobicContact SD-CE2 4.39Å |
| 293 | M | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.6 | -35.6 | 177 | -72.2 | -52.8 | -48.7 | 0 | 0 | 113.4 | L275 F289 L290 R296 L297 I319 L333 L365 Y367 | L275-M293 HydrophobicContact CD1-CE 3.9Å; L275-M293 HydrophobicContact CD1-SD 4.3Å; F289-M293 HydrophobicContact CD1-CG 4.27Å; F289-M293 HydrophobicContact CD2-CG 4.17Å; F289-M293 HydrophobicContact CE1-CG 3.91Å; F289-M293 HydrophobicContact CE2-CG 3.79Å; F289-M293 HydrophobicContact CE2-SD 4.25Å; F289-M293 HydrophobicContact CG-CG 4.41Å; F289-M293 HydrophobicContact CZ-CG 3.65Å; F289-M293 HydrophobicContact CZ-SD 4.36Å; F289-M293 WeakPolarHBondContact O-CB 3.24Å; F289-M293 WeakPolarHBondContact O-CG 3.35Å; F289-M293 PolarHBondContact O-N 2.75Å; L290-M293 PolarHBondContact O-N 3.43Å; M293-R296 PolarHBondContact O-N 2.91Å; M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.17Å; M293-L297 PolarHBondContact O-N 3.12Å; M293-I319 HydrophobicContact CB-CD1 3.67Å; M293-L333 HydrophobicContact CB-CD1 4.41Å; M293-L333 HydrophobicContact CE-CD1 3.8Å; M293-L333 HydrophobicContact CG-CD1 4.36Å; M293-L365 HydrophobicContact CE-CB 4.14Å; M293-L365 HydrophobicContact CE-CD1 4.22Å; M293-L365 HydrophobicContact CE-CD2 3.83Å; M293-L365 HydrophobicContact CE-CG 4.26Å; M293-Y367 HydrophobicContact SD-CD2 3.91Å; M293-Y367 HydrophobicContact SD-CE2 3.68Å |
| 294 | E | 92.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 170.7 | -78.8 | -174.2 | 152.1 | 0 | 0 | 110.8 | R156 L290 Q291 L297 E298 Q318 I319 | R156-E294 IonicContact NH1-OE1 3.82Å; L290-E294 HydrophobicContact CD2-CG 4.05Å; L290-E294 PolarHBondContact O-N 2.79Å; Q291-E294 PolarHBondContact O-N 3.41Å; E294-L297 PolarHBondContact O-N 2.95Å; E294-E298 WeakPolarHBondContact O-CB 3.43Å; E294-E298 PolarHBondContact O-N 2.96Å; E294-Q318 VanDerWaalsContact OE1-CA 3.26Å; E294-Q318 WeakPolarHBondContact OE1-CA 3.49Å; E294-I319 HydrophobicContact CG-CB 4.07Å; E294-I319 HydrophobicContact CG-CD1 3.88Å; E294-I319 HydrophobicContact CG-CG1 3.73Å; E294-I319 PolarHBondContact OE1-N 3.24Å |
| 295 | Q | 92.2 | Very high | 90.8 | Very high | 136 Ų | 136 | 44 Ų | 44 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64 | -41 | 178.7 | -70.1 | 173.3 | 11.4 | 0 | 0 | 113 | Q291 E298 K299 | Q291-Q295 WeakPolarHBondContact O-CG 3.31Å; Q291-Q295 PolarHBondContact O-N 3.11Å; Q291-Q295 VanDerWaalsContact O-N 3.11Å; Q295-E298 PolarHBondContact O-N 3.28Å; Q295-K299 PolarHBondContact O-N 3.49Å; Q295-K299 VanDerWaalsContact O-N 3.1Å |
| 296 | R | 92.9 | Very high | 90.8 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 176.8 | -74 | 175.4 | -178.8 | 175.3 | 9.3 | 111.2 | M292 M293 K299 V300 L365 Y367 | M292-R296 WeakPolarHBondContact O-CB 3.48Å; M292-R296 VanDerWaalsContact O-CG 3.29Å; M292-R296 WeakPolarHBondContact O-CG 3.34Å; M292-R296 PolarHBondContact O-N 3.01Å; M292-R296 PolarHBondContact SD-NH1 2.81Å; M292-R296 PolarHBondContact SD-NH2 2.87Å; M292-R296 VanDerWaalsContact SD-NH2 3.41Å; M293-R296 PolarHBondContact O-N 2.91Å; R296-K299 WeakPolarHBondContact O-CB 3.36Å; R296-K299 PolarHBondContact O-N 2.85Å; R296-V300 WeakPolarHBondContact O-CG2 3.45Å; R296-V300 PolarHBondContact O-N 3.2Å; R296-L365 HydrophobicContact CB-CD2 3.89Å; R296-L365 WeakPolarHBondContact CD-O 3.33Å; R296-L365 PolarHBondContact NH1-O 3.2Å; R296-Y367 PolarHBondContact NH1-OH 3.45Å |
| 297 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.1 | -75.4 | 163.8 | 0 | 0 | 0 | 111.6 | M293 E294 K299 V300 F301 V317 I319 Y335 L365 | M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.17Å; M293-L297 PolarHBondContact O-N 3.12Å; E294-L297 PolarHBondContact O-N 2.95Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.43Å; L297-V300 PolarHBondContact O-N 3.18Å; L297-F301 VanDerWaalsContact O-CD2 3.31Å; L297-F301 WeakPolarHBondContact O-CD2 3.22Å; L297-F301 PolarHBondContact O-N 3.08Å; L297-V317 HydrophobicContact CB-CB 4.26Å; L297-V317 HydrophobicContact CB-CG1 3.92Å; L297-V317 HydrophobicContact CB-CG2 4Å; L297-V317 HydrophobicContact CD1-CG1 4.15Å; L297-I319 HydrophobicContact CD1-CD1 4.3Å; L297-I319 HydrophobicContact CD1-CG1 4.39Å; L297-Y335 HydrophobicContact CD1-CD1 4.09Å; L297-Y335 HydrophobicContact CD1-CD2 4.48Å; L297-Y335 HydrophobicContact CD1-CE1 4.24Å; L297-Y335 HydrophobicContact CD1-CG 4.21Å; L297-Y335 HydrophobicContact CD2-CE1 4.4Å; L297-Y335 HydrophobicContact CD2-CE2 4.48Å; L297-L365 HydrophobicContact CD2-CD1 4.2Å; L297-L365 HydrophobicContact CD2-CD2 3.86Å; L297-L365 HydrophobicContact CG-CD2 3.96Å |
| 298 | E | 93.1 | Very high | 90.2 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.3 | -39 | 176.8 | -166.7 | 173.5 | 137.9 | 0 | 0 | 112.2 | E294 Q295 S302 L315 V317 | E294-E298 WeakPolarHBondContact O-CB 3.43Å; E294-E298 PolarHBondContact O-N 2.96Å; Q295-E298 PolarHBondContact O-N 3.28Å; E298-S302 WeakPolarHBondContact O-CB 3.37Å; E298-S302 PolarHBondContact O-N 2.97Å; E298-S302 PolarHBondContact O-OG 3.45Å; E298-L315 VanDerWaalsContact CG-O 3.24Å; E298-L315 WeakPolarHBondContact CG-O 3.29Å; E298-V317 HydrophobicContact CB-CG2 4.24Å |
| 299 | K | 91.8 | Very high | 89.7 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 54% | 0.539 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 172.6 | -170 | -179.4 | 177.9 | -174.9 | 0 | 112.8 | Q295 R296 L297 S302 E303 F364 | Q295-K299 PolarHBondContact O-N 3.49Å; Q295-K299 VanDerWaalsContact O-N 3.1Å; R296-K299 WeakPolarHBondContact O-CB 3.36Å; R296-K299 PolarHBondContact O-N 2.85Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.43Å; K299-S302 WeakPolarHBondContact CA-OG 3.48Å; K299-S302 PolarHBondContact O-OG 3.18Å; K299-E303 WeakPolarHBondContact O-CB 3.08Å; K299-E303 PolarHBondContact O-N 3.02Å; K299-F364 HydrophobicContact CD-CD1 4.3Å |
| 300 | V | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.5 | -155.2 | 0 | 0 | 0 | 0 | 111.1 | R296 L297 E303 A304 L353 F356 V361 F364 L365 | R296-V300 WeakPolarHBondContact O-CG2 3.45Å; R296-V300 PolarHBondContact O-N 3.2Å; L297-V300 PolarHBondContact O-N 3.18Å; V300-E303 PolarHBondContact O-N 3.35Å; V300-A304 VanDerWaalsContact O-CB 3.24Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 2.76Å; V300-L353 HydrophobicContact CB-CD2 3.86Å; V300-L353 HydrophobicContact CG1-CD2 3.43Å; V300-L353 VanDerWaalsContact CG1-CD2 3.43Å; V300-F356 HydrophobicContact CG1-CD2 3.97Å; V300-F356 HydrophobicContact CG1-CE2 4.14Å; V300-V361 HydrophobicContact CG1-CG1 4.47Å; V300-V361 HydrophobicContact CG1-CG2 4.28Å; V300-F364 HydrophobicContact CB-CB 4.47Å; V300-F364 HydrophobicContact CG1-CB 4.48Å; V300-F364 HydrophobicContact CG1-CD2 4.01Å; V300-F364 HydrophobicContact CG2-CB 3.53Å; V300-F364 HydrophobicContact CG2-CG 4.3Å; V300-L365 HydrophobicContact CG2-CD2 3.6Å; V300-L365 HydrophobicContact CG2-CG 4.24Å |
| 301 | F | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | -179.5 | -87.8 | -73.2 | 0 | 0 | 0 | 113.2 | L271 L297 A304 Q305 L315 V317 Y335 V337 A349 L353 | L271-F301 HydrophobicContact CD1-CE1 4.48Å; L271-F301 HydrophobicContact CD1-CZ 3.75Å; L297-F301 VanDerWaalsContact O-CD2 3.31Å; L297-F301 WeakPolarHBondContact O-CD2 3.22Å; L297-F301 PolarHBondContact O-N 3.08Å; F301-A304 PolarHBondContact O-N 3.01Å; F301-Q305 WeakPolarHBondContact O-CB 3.49Å; F301-Q305 PolarHBondContact O-N 3.33Å; F301-L315 HydrophobicContact CB-CB 4.39Å; F301-L315 HydrophobicContact CB-CD1 4.04Å; F301-L315 HydrophobicContact CD1-CD1 4.45Å; F301-V317 HydrophobicContact CD2-CG2 3.68Å; F301-V317 HydrophobicContact CE2-CG2 4.24Å; F301-V317 HydrophobicContact CG-CG2 4.47Å; F301-Y335 HydrophobicContact CE2-CD2 4.49Å; F301-Y335 AromaticContact CE2-CE2 3.61Å; F301-Y335 HydrophobicContact CE2-CE2 3.61Å; F301-Y335 AromaticContact CZ-CE2 3.87Å; F301-Y335 HydrophobicContact CZ-CE2 3.87Å; F301-V337 HydrophobicContact CD1-CG1 4.31Å; F301-V337 HydrophobicContact CD1-CG2 4.24Å; F301-V337 HydrophobicContact CD2-CG2 4.13Å; F301-V337 HydrophobicContact CE1-CG2 3.79Å; F301-V337 HydrophobicContact CE2-CG2 3.69Å; F301-V337 HydrophobicContact CG-CG1 4.39Å; F301-V337 HydrophobicContact CG-CG2 4.41Å; F301-V337 HydrophobicContact CZ-CG2 3.5Å; F301-A349 HydrophobicContact CE1-CB 4.09Å; F301-A349 WeakPolarHBondContact CE1-O 3.21Å; F301-L353 HydrophobicContact CD1-CD2 4.45Å; F301-L353 HydrophobicContact CD1-CG 4.2Å; F301-L353 HydrophobicContact CD2-CD1 4.28Å; F301-L353 HydrophobicContact CE1-CD1 3.95Å; F301-L353 HydrophobicContact CE1-CD2 4.39Å; F301-L353 HydrophobicContact CE1-CG 3.67Å; F301-L353 HydrophobicContact CE2-CD1 3.49Å; F301-L353 VanDerWaalsContact CE2-CD1 3.49Å; F301-L353 HydrophobicContact CE2-CG 4.05Å; F301-L353 HydrophobicContact CZ-CD1 3.28Å; F301-L353 HydrophobicContact CZ-CD2 4.42Å; F301-L353 HydrophobicContact CZ-CG 3.57Å |
| 302 | S | 90 | Very high | 87.8 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 176.6 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | E298 K299 A306 | E298-S302 WeakPolarHBondContact O-CB 3.37Å; E298-S302 PolarHBondContact O-N 2.97Å; E298-S302 PolarHBondContact O-OG 3.45Å; K299-S302 WeakPolarHBondContact CA-OG 3.48Å; K299-S302 PolarHBondContact O-OG 3.18Å; S302-A306 WeakPolarHBondContact O-CB 3.25Å; S302-A306 PolarHBondContact O-N 2.81Å |
| 303 | E | 90.3 | Very high | 87.2 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 172.1 | -178 | 67 | -175.5 | 0 | 0 | 112 | K299 V300 A306 K307 F356 F364 | K299-E303 WeakPolarHBondContact O-CB 3.08Å; K299-E303 PolarHBondContact O-N 3.02Å; V300-E303 PolarHBondContact O-N 3.35Å; E303-A306 PolarHBondContact O-N 3.44Å; E303-K307 HydrophobicContact CG-CD 4.39Å; E303-K307 PolarHBondContact O-N 3.35Å; E303-K307 WeakPolarHBondContact OE1-CE 3.22Å; E303-K307 IonicContact OE1-NZ 3.97Å; E303-K307 PolarHBondContact OE1-NZ 2.96Å; E303-F356 HydrophobicContact CB-CE2 4.37Å; E303-F356 HydrophobicContact CB-CZ 4.47Å; E303-F356 HydrophobicContact CG-CE2 4.09Å; E303-F356 HydrophobicContact CG-CZ 3.95Å; E303-F364 HydrophobicContact CB-CZ 4.43Å; E303-F364 HydrophobicContact CG-CE2 4.07Å; E303-F364 HydrophobicContact CG-CZ 3.82Å |
| 304 | A | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | V300 F301 A306 K307 V308 L352 L353 F356 | V300-A304 VanDerWaalsContact O-CB 3.24Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 2.76Å; F301-A304 PolarHBondContact O-N 3.01Å; A304-A306 VanDerWaalsContact C-N 3.32Å; A304-A306 PolarHBondContact O-N 2.84Å; A304-K307 PolarHBondContact O-N 2.89Å; A304-V308 VanDerWaalsContact O-CB 3.26Å; A304-V308 WeakPolarHBondContact O-CB 3.22Å; A304-V308 VanDerWaalsContact O-CG2 3.25Å; A304-V308 WeakPolarHBondContact O-CG2 3.36Å; A304-V308 PolarHBondContact O-N 2.98Å; A304-L352 HydrophobicContact CB-CB 4.37Å; A304-L353 HydrophobicContact CB-CD2 4.34Å; A304-F356 HydrophobicContact CB-CD2 4.41Å; A304-F356 HydrophobicContact CB-CE1 4.5Å; A304-F356 HydrophobicContact CB-CE2 3.83Å; A304-F356 HydrophobicContact CB-CZ 3.89Å |
| 305 | Q | 88.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.6 | -163.6 | -178.8 | 43.7 | 0 | 0 | 112.5 | F301 K307 L309 N310 A311 S313 L315 | F301-Q305 WeakPolarHBondContact O-CB 3.49Å; F301-Q305 PolarHBondContact O-N 3.33Å; Q305-K307 VanDerWaalsContact C-N 3.34Å; Q305-K307 PolarHBondContact O-N 3.33Å; Q305-L309 HydrophobicContact CG-CB 4.18Å; Q305-L309 HydrophobicContact CG-CD1 4.14Å; Q305-L309 HydrophobicContact CG-CG 4.48Å; Q305-L309 PolarHBondContact O-N 3.04Å; Q305-N310 PolarHBondContact O-N 2.82Å; Q305-A311 CarbonylContact C-O 3.55Å; Q305-A311 HydrophobicContact CG-CB 4.39Å; Q305-A311 WeakPolarHBondContact CG-O 3.48Å; Q305-S313 PolarHBondContact NE2-OG 3.14Å; Q305-S313 VanDerWaalsContact OE1-CB 3.29Å; Q305-S313 PolarHBondContact OE1-O 3.32Å; Q305-S313 PolarHBondContact OE1-OG 2.84Å; Q305-L315 HydrophobicContact CB-CD1 4.09Å; Q305-L315 HydrophobicContact CG-CD1 4.5Å |
| 306 | A | 86.9 | Confident | 86.7 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S302 E303 A304 N310 | S302-A306 WeakPolarHBondContact O-CB 3.25Å; S302-A306 PolarHBondContact O-N 2.81Å; E303-A306 PolarHBondContact O-N 3.44Å; A304-A306 VanDerWaalsContact C-N 3.32Å; A304-A306 PolarHBondContact O-N 2.84Å; A306-N310 WeakPolarHBondContact O-CA 3.45Å |
| 307 | K | 84.6 | Confident | 86.7 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -81.8 | -40.6 | 178 | -81.1 | 166.7 | 168.4 | 157.1 | 0 | 113.9 | E303 A304 Q305 F356 | E303-K307 HydrophobicContact CG-CD 4.39Å; E303-K307 PolarHBondContact O-N 3.35Å; E303-K307 WeakPolarHBondContact OE1-CE 3.22Å; E303-K307 IonicContact OE1-NZ 3.97Å; E303-K307 PolarHBondContact OE1-NZ 2.96Å; A304-K307 PolarHBondContact O-N 2.89Å; Q305-K307 VanDerWaalsContact C-N 3.34Å; Q305-K307 PolarHBondContact O-N 3.33Å; K307-F356 HydrophobicContact CB-CE1 4.16Å; K307-F356 HydrophobicContact CB-CZ 4.43Å; K307-F356 HydrophobicContact CD-CE1 3.65Å; K307-F356 HydrophobicContact CD-CZ 3.69Å |
| 308 | V | 81.5 | Confident | 86.6 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -83.6 | -48.6 | -173 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | A304 L352 Q355 | A304-V308 VanDerWaalsContact O-CB 3.26Å; A304-V308 WeakPolarHBondContact O-CB 3.22Å; A304-V308 VanDerWaalsContact O-CG2 3.25Å; A304-V308 WeakPolarHBondContact O-CG2 3.36Å; A304-V308 PolarHBondContact O-N 2.98Å; V308-L352 HydrophobicContact CB-CD2 4.16Å; V308-L352 HydrophobicContact CG1-CD2 3.99Å; V308-Q355 VanDerWaalsContact CG1-NE2 3.26Å; V308-Q355 HydrophobicContact CG2-CB 3.88Å; V308-Q355 HydrophobicContact CG2-CG 4.38Å |
| 309 | L | 77.6 | Confident | 86.5 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -2.7 | -173.7 | -62.2 | -175.7 | 0 | 0 | 0 | 113.3 | Q305 A311 L352 | Q305-L309 HydrophobicContact CG-CB 4.18Å; Q305-L309 HydrophobicContact CG-CD1 4.14Å; Q305-L309 HydrophobicContact CG-CG 4.48Å; Q305-L309 PolarHBondContact O-N 3.04Å; L309-A311 HydrophobicContact CB-CB 4.01Å; L309-A311 PolarHBondContact O-N 3.26Å; L309-L352 HydrophobicContact CD1-CD2 4.06Å; L309-L352 HydrophobicContact CG-CD2 4.08Å |
| 310 | N | 79.9 | Confident | 86.4 | Confident | 145 Ų | 145 | 55.1 Ų | 55.1 | 78% | 0.775 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 52.3 | 21.8 | -170.2 | -65.8 | -85.8 | 0 | 0 | 0 | 113.3 | Q305 A306 | Q305-N310 PolarHBondContact O-N 2.82Å; A306-N310 WeakPolarHBondContact O-CA 3.45Å |
| 311 | A | 76.9 | Confident | 86.2 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | trans | -116.4 | 147.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q305 L309 | Q305-A311 CarbonylContact C-O 3.55Å; Q305-A311 HydrophobicContact CG-CB 4.39Å; Q305-A311 WeakPolarHBondContact CG-O 3.48Å; L309-A311 HydrophobicContact CB-CB 4.01Å; L309-A311 PolarHBondContact O-N 3.26Å | ||
| 312 | K | 74.3 | Confident | 86.1 | Confident | 202 Ų | 202 | 57 Ų | 57 | 88% | 0.878 | 29% | 0.294 | S | S | * | . | trans | -118.7 | 73.4 | 179.6 | -63.9 | -176.7 | -179.3 | -178.8 | 0 | 110.2 | ||||
| 313 | S | 78.9 | Confident | 85.9 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | trans | -87.7 | 158 | 168.7 | 83.6 | 0 | 0 | 0 | 0 | 110.4 | Q305 L315 N339 | Q305-S313 PolarHBondContact NE2-OG 3.14Å; Q305-S313 VanDerWaalsContact OE1-CB 3.29Å; Q305-S313 PolarHBondContact OE1-O 3.32Å; Q305-S313 PolarHBondContact OE1-OG 2.84Å; S313-L315 VanDerWaalsContact C-N 3.32Å; S313-L315 PolarHBondContact O-N 2.88Å; S313-L315 VanDerWaalsContact O-N 3.11Å; S313-L315 VanDerWaalsContact OG-CD2 3.28Å; S313-L315 WeakPolarHBondContact OG-CD2 3.38Å; S313-N339 WeakPolarHBondContact CB-OD1 3.48Å; S313-N339 PolarHBondContact OG-OD1 2.91Å | ||
| 314 | R | 84.4 | Confident | 85.8 | Confident | 225 Ų | 225 | 57.4 Ų | 57.4 | 85% | 0.849 | 30% | 0.295 | S | S | * | . | trans | -86.1 | 81.8 | 173.4 | -70.3 | -176.9 | 178.8 | 171 | -0.3 | 108.8 | G340 | R314-G340 PolarHBondContact O-N 2.84Š| ||
| 315 | L | 89.8 | Confident | 85.3 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.9 | 166.5 | -59.9 | -172.9 | 0 | 0 | 0 | 108.7 | E298 F301 Q305 S313 V337 K338 N339 L344 L352 | E298-L315 VanDerWaalsContact CG-O 3.24Å; E298-L315 WeakPolarHBondContact CG-O 3.29Å; F301-L315 HydrophobicContact CB-CB 4.39Å; F301-L315 HydrophobicContact CB-CD1 4.04Å; F301-L315 HydrophobicContact CD1-CD1 4.45Å; Q305-L315 HydrophobicContact CB-CD1 4.09Å; Q305-L315 HydrophobicContact CG-CD1 4.5Å; S313-L315 VanDerWaalsContact C-N 3.32Å; S313-L315 PolarHBondContact O-N 2.88Å; S313-L315 VanDerWaalsContact O-N 3.11Å; S313-L315 VanDerWaalsContact OG-CD2 3.28Å; S313-L315 WeakPolarHBondContact OG-CD2 3.38Å; L315-V337 HydrophobicContact CB-CG1 4.25Å; L315-V337 HydrophobicContact CD2-CG1 4.49Å; L315-K338 CarbonylContact C-O 3.27Å; L315-K338 VanDerWaalsContact CA-O 3.24Å; L315-K338 WeakPolarHBondContact CA-O 3.39Å; L315-N339 HydrophobicContact CD2-CB 3.87Å; L315-L344 HydrophobicContact CD1-CD1 4.5Å; L315-L344 HydrophobicContact CD2-CD1 3.72Å; L315-L352 HydrophobicContact CD1-CD1 4.34Å |
| 316 | A | 90.6 | Very high | 84.6 | Confident | 35 Ų | 35 | 67 Ų | 67 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | K338 | A316-K338 PolarHBondContact N-O 3.05Å; A316-K338 PolarHBondContact O-N 3.46Å |
| 317 | V | 93.3 | Very high | 83.9 | Confident | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.036 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 146.4 | -178.6 | -179 | 0 | 0 | 0 | 0 | 109.9 | L297 E298 F301 Y335 V337 | L297-V317 HydrophobicContact CB-CB 4.26Å; L297-V317 HydrophobicContact CB-CG1 3.92Å; L297-V317 HydrophobicContact CB-CG2 4Å; L297-V317 HydrophobicContact CD1-CG1 4.15Å; E298-V317 HydrophobicContact CB-CG2 4.24Å; F301-V317 HydrophobicContact CD2-CG2 3.68Å; F301-V317 HydrophobicContact CE2-CG2 4.24Å; F301-V317 HydrophobicContact CG-CG2 4.47Å; V317-Y335 HydrophobicContact CG1-CD2 3.84Å; V317-Y335 HydrophobicContact CG1-CG 4.25Å; V317-V337 HydrophobicContact CG2-CG2 4.49Å |
| 318 | Q | 91.3 | Very high | 83.6 | Confident | 28 Ų | 28 | 66.4 Ų | 66.4 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 118.3 | 167.3 | -179.1 | -179.1 | -18.9 | 0 | 0 | 110.5 | E294 Y335 T336 | E294-Q318 VanDerWaalsContact OE1-CA 3.26Å; E294-Q318 WeakPolarHBondContact OE1-CA 3.49Å; Q318-Y335 CarbonylContact O-C 3.57Å; Q318-Y335 VanDerWaalsContact O-CA 3.25Å; Q318-Y335 WeakPolarHBondContact O-CA 3.4Å; Q318-Y335 WeakPolarHBondContact O-CB 3.4Å; Q318-T336 PolarHBondContact N-O 3.15Å; Q318-T336 PolarHBondContact O-N 3.48Å; Q318-T336 PolarHBondContact O-OG1 3.11Å |
| 319 | I | 92 | Very high | 83.7 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.4 | 171 | -66.5 | 173.4 | 0 | 0 | 0 | 109 | L290 M293 E294 L297 V322 | L290-I319 HydrophobicContact CD1-CB 4.29Å; L290-I319 HydrophobicContact CD1-CG2 3.9Å; L290-I319 HydrophobicContact CD2-CB 4.17Å; L290-I319 HydrophobicContact CG-CB 3.97Å; L290-I319 HydrophobicContact CG-CD1 4.27Å; L290-I319 HydrophobicContact CG-CG2 3.95Å; M293-I319 HydrophobicContact CB-CD1 3.67Å; E294-I319 HydrophobicContact CG-CB 4.07Å; E294-I319 HydrophobicContact CG-CD1 3.88Å; E294-I319 HydrophobicContact CG-CG1 3.73Å; E294-I319 PolarHBondContact OE1-N 3.24Å; L297-I319 HydrophobicContact CD1-CD1 4.3Å; L297-I319 HydrophobicContact CD1-CG1 4.39Å; I319-V322 HydrophobicContact CG2-CG2 3.84Å |
| 320 | L | 88.8 | Confident | 84.1 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -42 | 177.6 | -58.3 | -174.9 | 0 | 0 | 0 | 111.4 | Q270 V334 T336 | Q270-L320 HydrophobicContact CG-CD1 3.83Å; L320-V334 HydrophobicContact CB-CG1 4.46Å; L320-V334 PolarHBondContact N-O 2.81Å; L320-T336 HydrophobicContact CD1-CG2 3.7Å; L320-T336 HydrophobicContact CD2-CG2 4.45Å; L320-T336 HydrophobicContact CG-CG2 4.11Å |
| 321 | S | 88.6 | Confident | 84.7 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.2 | 174 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | S226 V334 | S226-S321 VanDerWaalsContact CB-CB 3.48Å; S321-V334 PolarHBondContact N-O 3.29Å; S321-V334 PolarHBondContact O-N 3.09Å; S321-V334 WeakPolarHBondContact OG-CB 3.41Å |
| 322 | V | 90.1 | Very high | 85.3 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127 | 167.1 | -178.1 | 0 | 0 | 0 | 0 | 106.1 | P284 F289 L290 I319 V331 L333 | P284-V322 HydrophobicContact CB-CG1 3.83Å; P284-V322 WeakPolarHBondContact O-CG1 3.32Å; F289-V322 HydrophobicContact CD1-CG1 4.31Å; F289-V322 HydrophobicContact CE1-CG1 3.94Å; L290-V322 HydrophobicContact CD1-CG2 4.35Å; I319-V322 HydrophobicContact CG2-CG2 3.84Å; V322-V331 HydrophobicContact CG1-CG1 3.6Å; V322-L333 HydrophobicContact CB-CD2 4.29Å; V322-L333 HydrophobicContact CG1-CD2 3.88Å; V322-L333 HydrophobicContact CG2-CD2 3.78Å |
| 323 | S | 86.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.3 | 177.7 | 57 | 0 | 0 | 0 | 0 | 110.8 | V331 S332 | S323-V331 CarbonylContact O-C 3.52Å; S323-S332 PolarHBondContact N-O 3.32Å; S323-S332 PolarHBondContact O-N 3.07Å |
| 324 | Q | 87.6 | Confident | 86.8 | Confident | 84 Ų | 84 | 46.5 Ų | 46.5 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 118.3 | -179.8 | -176.7 | 178.8 | 33.3 | 0 | 0 | 108.2 | V331 | Q324-V331 HydrophobicContact CB-CG2 4.28Å; Q324-V331 HydrophobicContact CG-CG2 4.1Å |
| 325 | T | 78.3 | Confident | 87.3 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | trans | -69.8 | 125.7 | -176.5 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | G327 S328 | T325-G327 PolarHBondContact O-N 3.49Å; T325-S328 WeakPolarHBondContact CB-OG 3.22Å; T325-S328 PolarHBondContact O-N 2.95Å; T325-S328 PolarHBondContact O-OG 2.94Å | ||
| 326 | P | 74.8 | Confident | 87.4 | Confident | 125 Ų | 125 | 35.6 Ų | 35.6 | 81% | 0.812 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.8 | 180 | -28.2 | 35.5 | 0 | 0 | 0 | 112.5 | S328 | P326-S328 VanDerWaalsContact C-N 3.28Å; P326-S328 PolarHBondContact O-N 3.42Å |
| 327 | G | 72 | Confident | 87.5 | Confident | 95 Ų | 95 | 34 Ų | 34 | 98% | 0.979 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -2.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T325 | T325-G327 PolarHBondContact O-N 3.49Š|
| 328 | S | 78.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | trans | -115.2 | 146.2 | 175.8 | 82.4 | 0 | 0 | 0 | 0 | 112.6 | T325 P326 A330 | T325-S328 WeakPolarHBondContact CB-OG 3.22Å; T325-S328 PolarHBondContact O-N 2.95Å; T325-S328 PolarHBondContact O-OG 2.94Å; P326-S328 VanDerWaalsContact C-N 3.28Å; P326-S328 PolarHBondContact O-N 3.42Å; S328-A330 PolarHBondContact O-N 3.1Å; S328-A330 PolarHBondContact OG-N 3.2Å | ||
| 329 | P | 82.5 | Confident | 87.4 | Confident | 73 Ų | 73 | 37.1 Ų | 37.1 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -80.8 | 10.2 | 169.8 | 35.8 | -36.6 | 0 | 0 | 0 | 112.7 | F277 | F277-P329 PolarHBondContact N-O 3.26Š|
| 330 | A | 87.4 | Confident | 87.1 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | trans | -92.5 | 132.5 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | V274 L275 S328 L370 | V274-A330 HydrophobicContact CG1-CB 4.26Å; L275-A330 CarbonylContact O-C 3.49Å; L275-A330 VanDerWaalsContact O-CA 3.25Å; L275-A330 WeakPolarHBondContact O-CA 3.36Å; S328-A330 PolarHBondContact O-N 3.1Å; S328-A330 PolarHBondContact OG-N 3.2Å; A330-L370 HydrophobicContact CB-CD1 4.38Å | ||
| 331 | V | 90.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.3 | -179.7 | 179 | 0 | 0 | 0 | 0 | 109.3 | L275 V278 P284 F289 V322 S323 Q324 L333 | L275-V331 PolarHBondContact N-O 3.2Å; L275-V331 PolarHBondContact O-N 3.24Å; V278-V331 HydrophobicContact CB-CG2 3.93Å; V278-V331 HydrophobicContact CG2-CB 3.89Å; V278-V331 HydrophobicContact CG2-CG2 3.61Å; P284-V331 HydrophobicContact CB-CG1 4Å; P284-V331 HydrophobicContact CB-CG2 4.11Å; P284-V331 HydrophobicContact CG-CG2 4.24Å; F289-V331 HydrophobicContact CE1-CG1 4.25Å; F289-V331 HydrophobicContact CZ-CG1 4.4Å; V322-V331 HydrophobicContact CG1-CG1 3.6Å; S323-V331 CarbonylContact O-C 3.52Å; Q324-V331 HydrophobicContact CB-CG2 4.28Å; Q324-V331 HydrophobicContact CG-CG2 4.1Å; V331-L333 HydrophobicContact CG1-CD2 4.08Å |
| 332 | S | 90.8 | Very high | 86.6 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.6 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 110 | S323 | S323-S332 PolarHBondContact N-O 3.32Å; S323-S332 PolarHBondContact O-N 3.07Å |
| 333 | L | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122 | 175.7 | -56.1 | 179.9 | 0 | 0 | 0 | 109 | K272 T273 L275 F289 M293 V322 V331 Y335 | K272-L333 WeakPolarHBondContact CA-O 3.44Å; T273-L333 PolarHBondContact N-O 3.34Å; T273-L333 PolarHBondContact O-N 3.14Å; L275-L333 HydrophobicContact CD1-CD1 3.68Å; L275-L333 HydrophobicContact CD1-CG 4.34Å; L275-L333 HydrophobicContact CG-CD1 4.15Å; F289-L333 HydrophobicContact CE1-CD2 3.97Å; M293-L333 HydrophobicContact CB-CD1 4.41Å; M293-L333 HydrophobicContact CE-CD1 3.8Å; M293-L333 HydrophobicContact CG-CD1 4.36Å; V322-L333 HydrophobicContact CB-CD2 4.29Å; V322-L333 HydrophobicContact CG1-CD2 3.88Å; V322-L333 HydrophobicContact CG2-CD2 3.78Å; V331-L333 HydrophobicContact CG1-CD2 4.08Å; L333-Y335 HydrophobicContact CB-CD1 4.34Å |
| 334 | V | 92.7 | Very high | 86.5 | Confident | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.6 | 168.3 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | Q270 L271 L320 S321 L376 | Q270-V334 HydrophobicContact CB-CG1 4.3Å; L271-V334 CarbonylContact O-C 3.51Å; L271-V334 VanDerWaalsContact O-CA 3.27Å; L271-V334 WeakPolarHBondContact O-CA 3.46Å; L320-V334 HydrophobicContact CB-CG1 4.46Å; L320-V334 PolarHBondContact N-O 2.81Å; S321-V334 PolarHBondContact N-O 3.29Å; S321-V334 PolarHBondContact O-N 3.09Å; S321-V334 WeakPolarHBondContact OG-CB 3.41Å; V334-L376 HydrophobicContact CB-CD1 4.37Å; V334-L376 HydrophobicContact CG1-CD1 3.44Å; V334-L376 VanDerWaalsContact CG1-CD1 3.44Å; V334-L376 HydrophobicContact CG2-CD1 4.04Å |
| 335 | Y | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 173.3 | -175 | 61.1 | -85.6 | 0 | 0 | 0 | 112.6 | Q270 L271 T273 L297 F301 V317 Q318 L333 V337 | Q270-Y335 WeakPolarHBondContact CA-O 3.46Å; L271-Y335 HydrophobicContact CB-CD1 4.46Å; L271-Y335 HydrophobicContact CB-CD2 4.08Å; L271-Y335 HydrophobicContact CB-CE1 4.05Å; L271-Y335 HydrophobicContact CB-CE2 3.64Å; L271-Y335 HydrophobicContact CB-CG 4.47Å; L271-Y335 HydrophobicContact CD1-CD2 4.27Å; L271-Y335 HydrophobicContact CD1-CE2 3.45Å; L271-Y335 VanDerWaalsContact CD1-CE2 3.45Å; L271-Y335 HydrophobicContact CG-CE2 4.2Å; L271-Y335 PolarHBondContact N-O 2.98Å; L271-Y335 PolarHBondContact O-N 3.09Å; T273-Y335 WeakPolarHBondContact OG1-CE1 3.37Å; T273-Y335 PolarHBondContact OG1-OH 3.09Å; L297-Y335 HydrophobicContact CD1-CD1 4.09Å; L297-Y335 HydrophobicContact CD1-CD2 4.48Å; L297-Y335 HydrophobicContact CD1-CE1 4.24Å; L297-Y335 HydrophobicContact CD1-CG 4.21Å; L297-Y335 HydrophobicContact CD2-CE1 4.4Å; L297-Y335 HydrophobicContact CD2-CE2 4.48Å; F301-Y335 HydrophobicContact CE2-CD2 4.49Å; F301-Y335 AromaticContact CE2-CE2 3.61Å; F301-Y335 HydrophobicContact CE2-CE2 3.61Å; F301-Y335 AromaticContact CZ-CE2 3.87Å; F301-Y335 HydrophobicContact CZ-CE2 3.87Å; V317-Y335 HydrophobicContact CG1-CD2 3.84Å; V317-Y335 HydrophobicContact CG1-CG 4.25Å; Q318-Y335 CarbonylContact O-C 3.57Å; Q318-Y335 VanDerWaalsContact O-CA 3.25Å; Q318-Y335 WeakPolarHBondContact O-CA 3.4Å; Q318-Y335 WeakPolarHBondContact O-CB 3.4Å; L333-Y335 HydrophobicContact CB-CD1 4.34Å; Y335-V337 HydrophobicContact CD2-CG2 4.33Å; Y335-V337 HydrophobicContact CE2-CG2 4.27Å |
| 336 | T | 93 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.2 | 179 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | P265 F269 Q270 Q318 L320 | P265-T336 HydrophobicContact CB-CG2 4.15Å; P265-T336 HydrophobicContact CG-CG2 3.98Å; F269-T336 WeakPolarHBondContact O-CG2 3.24Å; Q270-T336 HydrophobicContact CB-CG2 4.4Å; Q270-T336 HydrophobicContact CG-CG2 3.91Å; Q318-T336 PolarHBondContact N-O 3.15Å; Q318-T336 PolarHBondContact O-N 3.48Å; Q318-T336 PolarHBondContact O-OG1 3.11Å; L320-T336 HydrophobicContact CD1-CG2 3.7Å; L320-T336 HydrophobicContact CD2-CG2 4.45Å; L320-T336 HydrophobicContact CG-CG2 4.11Å |
| 337 | V | 93 | Very high | 87.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138 | 178.7 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | L271 F301 L315 V317 Y335 L344 A349 | L271-V337 HydrophobicContact CD1-CG2 4.07Å; F301-V337 HydrophobicContact CD1-CG1 4.31Å; F301-V337 HydrophobicContact CD1-CG2 4.24Å; F301-V337 HydrophobicContact CD2-CG2 4.13Å; F301-V337 HydrophobicContact CE1-CG2 3.79Å; F301-V337 HydrophobicContact CE2-CG2 3.69Å; F301-V337 HydrophobicContact CG-CG1 4.39Å; F301-V337 HydrophobicContact CG-CG2 4.41Å; F301-V337 HydrophobicContact CZ-CG2 3.5Å; L315-V337 HydrophobicContact CB-CG1 4.25Å; L315-V337 HydrophobicContact CD2-CG1 4.49Å; V317-V337 HydrophobicContact CG2-CG2 4.49Å; Y335-V337 HydrophobicContact CD2-CG2 4.33Å; Y335-V337 HydrophobicContact CE2-CG2 4.27Å; V337-L344 HydrophobicContact CB-CB 4.46Å; V337-L344 HydrophobicContact CB-CD1 4.43Å; V337-L344 HydrophobicContact CG1-CD1 3.98Å; V337-L344 PolarHBondContact O-N 2.93Å; V337-A349 HydrophobicContact CB-CB 4.33Å; V337-A349 HydrophobicContact CG2-CB 4.07Å |
| 338 | K | 90.8 | Very high | 87.6 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.1 | 178 | -62.8 | 168.1 | -172.4 | 166.7 | 0 | 110.2 | L315 A316 V342 F343 | L315-K338 CarbonylContact C-O 3.27Å; L315-K338 VanDerWaalsContact CA-O 3.24Å; L315-K338 WeakPolarHBondContact CA-O 3.39Å; A316-K338 PolarHBondContact N-O 3.05Å; A316-K338 PolarHBondContact O-N 3.46Å; K338-V342 CarbonylContact C-O 3.55Å; K338-V342 WeakPolarHBondContact CA-O 3.47Å; K338-F343 HydrophobicContact CD-CD1 4.47Å; K338-F343 HydrophobicContact CD-CE1 4.12Å; K338-F343 HydrophobicContact CD-CZ 4.43Å; K338-F343 HydrophobicContact CG-CD1 3.75Å; K338-F343 HydrophobicContact CG-CE1 3.89Å; K338-F343 HydrophobicContact CG-CG 4.29Å |
| 339 | N | 90.3 | Very high | 88 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 101.4 | 163 | -175.1 | 4.4 | 0 | 0 | 0 | 107.5 | S313 L315 T341 V342 L344 | S313-N339 WeakPolarHBondContact CB-OD1 3.48Å; S313-N339 PolarHBondContact OG-OD1 2.91Å; L315-N339 HydrophobicContact CD2-CB 3.87Å; N339-T341 PolarHBondContact O-N 3.27Å; N339-T341 VanDerWaalsContact O-N 3.09Å; N339-V342 PolarHBondContact N-O 2.94Å; N339-V342 PolarHBondContact O-N 3.26Å; N339-V342 VanDerWaalsContact O-N 3.16Å; N339-L344 HydrophobicContact CB-CD2 4.08Å; N339-L344 HydrophobicContact CB-CG 4.49Å |
| 340 | G | 85.3 | Confident | 88.2 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 57% | 0.567 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -110 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R314 | R314-G340 PolarHBondContact O-N 2.84Š|
| 341 | T | 80.9 | Confident | 88.1 | Confident | 135 Ų | 135 | 38.7 Ų | 38.7 | 83% | 0.828 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -17.7 | 179.6 | 50 | 0 | 0 | 0 | 0 | 114.3 | N339 | N339-T341 PolarHBondContact O-N 3.27Å; N339-T341 VanDerWaalsContact O-N 3.09Å |
| 342 | V | 86.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 39 Ų | 39 | 58% | 0.582 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.3 | -170.9 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | K338 N339 | K338-V342 CarbonylContact C-O 3.55Å; K338-V342 WeakPolarHBondContact CA-O 3.47Å; N339-V342 PolarHBondContact N-O 2.94Å; N339-V342 PolarHBondContact O-N 3.26Å; N339-V342 VanDerWaalsContact O-N 3.16Å |
| 343 | F | 88.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 38 Ų | 38 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136 | 172.7 | -68.7 | -87.9 | 0 | 0 | 0 | 111.2 | P265 F269 K338 | P265-F343 HydrophobicContact CB-CD1 4.23Å; P265-F343 HydrophobicContact CB-CE1 3.92Å; P265-F343 HydrophobicContact CB-CZ 4.12Å; P265-F343 HydrophobicContact CG-CD1 4.04Å; P265-F343 HydrophobicContact CG-CE1 3.26Å; P265-F343 HydrophobicContact CG-CE2 4.27Å; P265-F343 HydrophobicContact CG-CZ 3.4Å; P265-F343 VanDerWaalsContact CG-CZ 3.4Å; F269-F343 HydrophobicContact CB-CB 4.27Å; F269-F343 HydrophobicContact CD1-CB 3.59Å; F269-F343 HydrophobicContact CE1-CB 4.07Å; F269-F343 HydrophobicContact CG-CB 3.94Å; K338-F343 HydrophobicContact CD-CD1 4.47Å; K338-F343 HydrophobicContact CD-CE1 4.12Å; K338-F343 HydrophobicContact CD-CZ 4.43Å; K338-F343 HydrophobicContact CG-CD1 3.75Å; K338-F343 HydrophobicContact CG-CE1 3.89Å; K338-F343 HydrophobicContact CG-CG 4.29Å |
| 344 | L | 86.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 137.7 | 169.2 | -64 | -173 | 0 | 0 | 0 | 110.2 | F269 L315 V337 N339 G346 A349 | F269-L344 WeakPolarHBondContact CD1-O 3.35Å; L315-L344 HydrophobicContact CD1-CD1 4.5Å; L315-L344 HydrophobicContact CD2-CD1 3.72Å; V337-L344 HydrophobicContact CB-CB 4.46Å; V337-L344 HydrophobicContact CB-CD1 4.43Å; V337-L344 HydrophobicContact CG1-CD1 3.98Å; V337-L344 PolarHBondContact O-N 2.93Å; N339-L344 HydrophobicContact CB-CD2 4.08Å; N339-L344 HydrophobicContact CB-CG 4.49Å; L344-G346 PolarHBondContact O-N 3.45Å; L344-A349 HydrophobicContact CB-CB 4.36Å |
| 345 | N | 87.1 | Confident | 86.8 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 135.6 | 171.6 | -176 | -26.5 | 0 | 0 | 0 | 109.9 | G268 T347 V348 A349 | G268-N345 PolarHBondContact O-OD1 3.05Å; N345-T347 VanDerWaalsContact C-N 3.25Å; N345-T347 PolarHBondContact O-N 3.39Å; N345-T347 PolarHBondContact OD1-N 3.17Å; N345-T347 VanDerWaalsContact OD1-N 3.11Å; N345-T347 PolarHBondContact OD1-OG1 3.4Å; N345-T347 VanDerWaalsContact OD1-OG1 3.09Å; N345-V348 HydrophobicContact CB-CB 4.46Å; N345-V348 HydrophobicContact CB-CG2 4.15Å; N345-V348 PolarHBondContact O-N 2.83Å; N345-A349 PolarHBondContact O-N 3.22Å |
| 346 | G | 84.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.9 | -39 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G268 L271 L344 V348 A349 S350 | G268-G346 PolarHBondContact O-N 3.22Å; L271-G346 WeakPolarHBondContact CD2-O 3.42Å; L344-G346 PolarHBondContact O-N 3.45Å; G346-V348 PolarHBondContact O-N 2.99Å; G346-A349 PolarHBondContact O-N 3.49Å; G346-S350 WeakPolarHBondContact O-CB 3.38Å; G346-S350 PolarHBondContact O-N 3.07Å |
| 347 | T | 81.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.1 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | N345 S350 N351 P375 H379 | N345-T347 VanDerWaalsContact C-N 3.25Å; N345-T347 PolarHBondContact O-N 3.39Å; N345-T347 PolarHBondContact OD1-N 3.17Å; N345-T347 VanDerWaalsContact OD1-N 3.11Å; N345-T347 PolarHBondContact OD1-OG1 3.4Å; N345-T347 VanDerWaalsContact OD1-OG1 3.09Å; T347-S350 WeakPolarHBondContact O-CB 3.37Å; T347-N351 WeakPolarHBondContact O-CB 3.49Å; T347-N351 PolarHBondContact O-N 3.14Å; T347-N351 PolarHBondContact O-ND2 3.24Å; T347-N351 PolarHBondContact O-OD1 3.15Å; T347-P375 HydrophobicContact CG2-CG 4.49Å; T347-H379 HydrophobicContact CG2-CB 4.34Å |
| 348 | V | 83.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | N345 G346 N351 L352 | N345-V348 HydrophobicContact CB-CB 4.46Å; N345-V348 HydrophobicContact CB-CG2 4.15Å; N345-V348 PolarHBondContact O-N 2.83Å; G346-V348 PolarHBondContact O-N 2.99Å; V348-N351 PolarHBondContact O-N 2.72Å; V348-L352 PolarHBondContact O-N 2.92Å |
| 349 | A | 87.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.1 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L271 F301 V337 L344 N345 G346 N351 L352 L353 | L271-A349 HydrophobicContact CD1-CB 3.65Å; L271-A349 HydrophobicContact CG-CB 4.46Å; F301-A349 HydrophobicContact CE1-CB 4.09Å; F301-A349 WeakPolarHBondContact CE1-O 3.21Å; V337-A349 HydrophobicContact CB-CB 4.33Å; V337-A349 HydrophobicContact CG2-CB 4.07Å; L344-A349 HydrophobicContact CB-CB 4.36Å; N345-A349 PolarHBondContact O-N 3.22Å; G346-A349 PolarHBondContact O-N 3.49Å; A349-N351 VanDerWaalsContact C-N 3.35Å; A349-N351 PolarHBondContact O-N 2.82Å; A349-L352 PolarHBondContact O-N 3.27Å; A349-L353 PolarHBondContact O-N 3.09Å |
| 350 | S | 86.8 | Confident | 85.7 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.5 | -52 | 166.9 | 161 | 0 | 0 | 0 | 0 | 110.6 | G346 T347 L352 L353 G354 A373 | G346-S350 WeakPolarHBondContact O-CB 3.38Å; G346-S350 PolarHBondContact O-N 3.07Å; T347-S350 WeakPolarHBondContact O-CB 3.37Å; S350-L352 PolarHBondContact O-N 2.87Å; S350-L353 PolarHBondContact O-N 2.57Å; S350-L353 VanDerWaalsContact O-N 3.13Å; S350-G354 PolarHBondContact O-N 3.09Å; S350-A373 WeakPolarHBondContact CB-O 3.26Å; S350-A373 PolarHBondContact OG-O 2.8Å |
| 351 | N | 83.9 | Confident | 86 | Confident | 101 Ų | 101 | 54.1 Ų | 54.1 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -18.1 | -177.8 | -70.1 | -7.8 | 0 | 0 | 0 | 114.5 | T347 V348 A349 Q355 | T347-N351 WeakPolarHBondContact O-CB 3.49Å; T347-N351 PolarHBondContact O-N 3.14Å; T347-N351 PolarHBondContact O-ND2 3.24Å; T347-N351 PolarHBondContact O-OD1 3.15Å; V348-N351 PolarHBondContact O-N 2.72Å; A349-N351 VanDerWaalsContact C-N 3.35Å; A349-N351 PolarHBondContact O-N 2.82Å; N351-Q355 PolarHBondContact O-NE2 3.26Å; N351-Q355 VanDerWaalsContact O-NE2 3.14Å |
| 352 | L | 86.6 | Confident | 86.4 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.5 | -46.1 | 170.8 | -69.1 | 171.2 | 0 | 0 | 0 | 111.3 | A304 V308 L309 L315 V348 A349 S350 | A304-L352 HydrophobicContact CB-CB 4.37Å; V308-L352 HydrophobicContact CB-CD2 4.16Å; V308-L352 HydrophobicContact CG1-CD2 3.99Å; L309-L352 HydrophobicContact CD1-CD2 4.06Å; L309-L352 HydrophobicContact CG-CD2 4.08Å; L315-L352 HydrophobicContact CD1-CD1 4.34Å; V348-L352 PolarHBondContact O-N 2.92Å; A349-L352 PolarHBondContact O-N 3.27Å; S350-L352 PolarHBondContact O-N 2.87Å |
| 353 | L | 86.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.8 | -32 | 177.7 | -73.1 | -174.8 | 0 | 0 | 0 | 113.1 | V300 F301 A304 A349 S350 Q355 F356 I372 A373 | V300-L353 HydrophobicContact CB-CD2 3.86Å; V300-L353 HydrophobicContact CG1-CD2 3.43Å; V300-L353 VanDerWaalsContact CG1-CD2 3.43Å; F301-L353 HydrophobicContact CD1-CD2 4.45Å; F301-L353 HydrophobicContact CD1-CG 4.2Å; F301-L353 HydrophobicContact CD2-CD1 4.28Å; F301-L353 HydrophobicContact CE1-CD1 3.95Å; F301-L353 HydrophobicContact CE1-CD2 4.39Å; F301-L353 HydrophobicContact CE1-CG 3.67Å; F301-L353 HydrophobicContact CE2-CD1 3.49Å; F301-L353 VanDerWaalsContact CE2-CD1 3.49Å; F301-L353 HydrophobicContact CE2-CG 4.05Å; F301-L353 HydrophobicContact CZ-CD1 3.28Å; F301-L353 HydrophobicContact CZ-CD2 4.42Å; F301-L353 HydrophobicContact CZ-CG 3.57Å; A304-L353 HydrophobicContact CB-CD2 4.34Å; A349-L353 PolarHBondContact O-N 3.09Å; S350-L353 PolarHBondContact O-N 2.57Å; S350-L353 VanDerWaalsContact O-N 3.13Å; L353-Q355 PolarHBondContact O-N 3.11Å; L353-Q355 VanDerWaalsContact O-N 3.15Å; L353-F356 PolarHBondContact O-N 3Å; L353-I372 HydrophobicContact CB-CG2 3.86Å; L353-A373 HydrophobicContact CB-CB 3.93Å; L353-A373 HydrophobicContact CD1-CB 3.8Å; L353-A373 HydrophobicContact CG-CB 4.44Å |
| 354 | G | 83.8 | Confident | 86.8 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S350 F356 | S350-G354 PolarHBondContact O-N 3.09Å; G354-F356 VanDerWaalsContact C-N 3.32Å |
| 355 | Q | 83.4 | Confident | 87 | Confident | 123 Ų | 123 | 47.7 Ų | 47.7 | 58% | 0.575 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.4 | 170.1 | -74.3 | -179.9 | 60.2 | 0 | 0 | 113.4 | V308 N351 L353 | V308-Q355 VanDerWaalsContact CG1-NE2 3.26Å; V308-Q355 HydrophobicContact CG2-CB 3.88Å; V308-Q355 HydrophobicContact CG2-CG 4.38Å; N351-Q355 PolarHBondContact O-NE2 3.26Å; N351-Q355 VanDerWaalsContact O-NE2 3.14Å; L353-Q355 PolarHBondContact O-N 3.11Å; L353-Q355 VanDerWaalsContact O-N 3.15Å |
| 356 | F | 86.1 | Confident | 87.2 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -101.5 | 147.9 | 169.4 | -71 | -5.2 | 0 | 0 | 0 | 110.7 | V300 E303 A304 K307 L353 G354 L360 V361 F364 | V300-F356 HydrophobicContact CG1-CD2 3.97Å; V300-F356 HydrophobicContact CG1-CE2 4.14Å; E303-F356 HydrophobicContact CB-CE2 4.37Å; E303-F356 HydrophobicContact CB-CZ 4.47Å; E303-F356 HydrophobicContact CG-CE2 4.09Å; E303-F356 HydrophobicContact CG-CZ 3.95Å; A304-F356 HydrophobicContact CB-CD2 4.41Å; A304-F356 HydrophobicContact CB-CE1 4.5Å; A304-F356 HydrophobicContact CB-CE2 3.83Å; A304-F356 HydrophobicContact CB-CZ 3.89Å; K307-F356 HydrophobicContact CB-CE1 4.16Å; K307-F356 HydrophobicContact CB-CZ 4.43Å; K307-F356 HydrophobicContact CD-CE1 3.65Å; K307-F356 HydrophobicContact CD-CZ 3.69Å; L353-F356 PolarHBondContact O-N 3Å; G354-F356 VanDerWaalsContact C-N 3.32Å; F356-L360 HydrophobicContact CB-CB 4.44Å; F356-L360 HydrophobicContact CB-CD2 4.07Å; F356-L360 HydrophobicContact CB-CG 4.44Å; F356-L360 HydrophobicContact CD1-CD2 3.86Å; F356-L360 HydrophobicContact CD2-CD2 3.93Å; F356-L360 HydrophobicContact CD2-CG 4.21Å; F356-L360 HydrophobicContact CE1-CD2 4.23Å; F356-L360 HydrophobicContact CE2-CD2 4.29Å; F356-L360 HydrophobicContact CG-CD2 3.69Å; F356-L360 HydrophobicContact CG-CG 4.3Å; F356-L360 HydrophobicContact CZ-CD2 4.42Å; F356-V361 HydrophobicContact CB-CG2 3.69Å; F356-V361 HydrophobicContact CD2-CG2 4.32Å; F356-F364 HydrophobicContact CE2-CE2 4.49Å |
| 357 | S | 85.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | trans | -66.6 | 152.9 | 170.4 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | E359 L360 V361 | S357-E359 PolarHBondContact O-N 3.42Å; S357-L360 PolarHBondContact O-N 3.48Å; S357-L360 WeakPolarHBondContact OG-CB 3.43Å; S357-L360 PolarHBondContact OG-N 3.07Å; S357-V361 PolarHBondContact O-N 3.41Å | ||
| 358 | A | 87.4 | Confident | 87.8 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.7 | -35.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G362 P369 I372 | A358-G362 PolarHBondContact O-N 3.3Å; A358-P369 HydrophobicContact CB-CG 4.21Å; A358-P369 VanDerWaalsContact O-CD 3.28Å; A358-P369 WeakPolarHBondContact O-CD 3.34Å; A358-P369 WeakPolarHBondContact O-CG 3.48Å; A358-I372 HydrophobicContact CB-CD1 4.01Å; A358-I372 HydrophobicContact CB-CG1 4.1Å |
| 359 | E | 88.1 | Confident | 88.2 | Confident | 163 Ų | 163 | 50.7 Ų | 50.7 | 76% | 0.762 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61 | -47.3 | 173.9 | -59 | 172 | 163.7 | 0 | 0 | 112.7 | S357 G362 Y363 | S357-E359 PolarHBondContact O-N 3.42Å; E359-G362 PolarHBondContact O-N 3.03Å; E359-Y363 WeakPolarHBondContact O-CB 3.47Å; E359-Y363 PolarHBondContact O-N 3Å |
| 360 | L | 90.1 | Very high | 88.1 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -179.1 | 179.7 | 60.3 | 0 | 0 | 0 | 111.5 | F356 S357 Y363 F364 | F356-L360 HydrophobicContact CB-CB 4.44Å; F356-L360 HydrophobicContact CB-CD2 4.07Å; F356-L360 HydrophobicContact CB-CG 4.44Å; F356-L360 HydrophobicContact CD1-CD2 3.86Å; F356-L360 HydrophobicContact CD2-CD2 3.93Å; F356-L360 HydrophobicContact CD2-CG 4.21Å; F356-L360 HydrophobicContact CE1-CD2 4.23Å; F356-L360 HydrophobicContact CE2-CD2 4.29Å; F356-L360 HydrophobicContact CG-CD2 3.69Å; F356-L360 HydrophobicContact CG-CG 4.3Å; F356-L360 HydrophobicContact CZ-CD2 4.42Å; S357-L360 PolarHBondContact O-N 3.48Å; S357-L360 WeakPolarHBondContact OG-CB 3.43Å; S357-L360 PolarHBondContact OG-N 3.07Å; L360-Y363 PolarHBondContact O-N 3.39Å; L360-F364 HydrophobicContact CD1-CD2 4.26Å; L360-F364 HydrophobicContact CD1-CE2 3.64Å; L360-F364 HydrophobicContact CD1-CZ 4.34Å; L360-F364 HydrophobicContact CG-CD2 4.42Å; L360-F364 HydrophobicContact CG-CE2 4Å; L360-F364 WeakPolarHBondContact O-CD2 3.4Å; L360-F364 PolarHBondContact O-N 2.95Å |
| 361 | V | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 172.8 | 177.9 | 0 | 0 | 0 | 0 | 110 | V300 F356 S357 Y363 F364 L365 P369 I372 | V300-V361 HydrophobicContact CG1-CG1 4.47Å; V300-V361 HydrophobicContact CG1-CG2 4.28Å; F356-V361 HydrophobicContact CB-CG2 3.69Å; F356-V361 HydrophobicContact CD2-CG2 4.32Å; S357-V361 PolarHBondContact O-N 3.41Å; V361-Y363 VanDerWaalsContact C-N 3.3Å; V361-Y363 PolarHBondContact O-N 2.9Å; V361-F364 PolarHBondContact O-N 3.07Å; V361-F364 VanDerWaalsContact O-N 3.11Å; V361-L365 HydrophobicContact CG1-CD1 3.83Å; V361-L365 HydrophobicContact CG1-CG 4.11Å; V361-L365 WeakPolarHBondContact O-CG 3.45Å; V361-L365 PolarHBondContact O-N 3.34Å; V361-P369 HydrophobicContact CB-CG 4.28Å; V361-P369 HydrophobicContact CG1-CG 4.2Å; V361-I372 HydrophobicContact CG1-CG2 4.42Å; V361-I372 HydrophobicContact CG2-CG2 3.97Å |
| 362 | G | 89.6 | Confident | 88.1 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A358 E359 F364 L365 F366 Y367 | A358-G362 PolarHBondContact O-N 3.3Å; E359-G362 PolarHBondContact O-N 3.03Å; G362-F364 PolarHBondContact O-N 3.29Å; G362-L365 PolarHBondContact O-N 2.71Å; G362-F366 VanDerWaalsContact O-CA 3.28Å; G362-F366 WeakPolarHBondContact O-CA 3.38Å; G362-F366 PolarHBondContact O-N 2.91Å; G362-Y367 WeakPolarHBondContact CA-O 3.25Å; G362-Y367 PolarHBondContact O-N 3.04Å |
| 363 | Y | 91.7 | Very high | 88.2 | Confident | 164 Ų | 164 | 54.4 Ų | 54.4 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.5 | -42.9 | 173.2 | 171.7 | -97.5 | 0 | 0 | 0 | 112.5 | E359 L360 V361 | E359-Y363 WeakPolarHBondContact O-CB 3.47Å; E359-Y363 PolarHBondContact O-N 3Å; L360-Y363 PolarHBondContact O-N 3.39Å; V361-Y363 VanDerWaalsContact C-N 3.3Å; V361-Y363 PolarHBondContact O-N 2.9Å |
| 364 | F | 91.6 | Very high | 88.1 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 10% | 0.101 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77.1 | -30.9 | 177.1 | -68.9 | -66.9 | 0 | 0 | 0 | 113.6 | K299 V300 E303 F356 L360 V361 G362 F366 | K299-F364 HydrophobicContact CD-CD1 4.3Å; V300-F364 HydrophobicContact CB-CB 4.47Å; V300-F364 HydrophobicContact CG1-CB 4.48Å; V300-F364 HydrophobicContact CG1-CD2 4.01Å; V300-F364 HydrophobicContact CG2-CB 3.53Å; V300-F364 HydrophobicContact CG2-CG 4.3Å; E303-F364 HydrophobicContact CB-CZ 4.43Å; E303-F364 HydrophobicContact CG-CE2 4.07Å; E303-F364 HydrophobicContact CG-CZ 3.82Å; F356-F364 HydrophobicContact CE2-CE2 4.49Å; L360-F364 HydrophobicContact CD1-CD2 4.26Å; L360-F364 HydrophobicContact CD1-CE2 3.64Å; L360-F364 HydrophobicContact CD1-CZ 4.34Å; L360-F364 HydrophobicContact CG-CD2 4.42Å; L360-F364 HydrophobicContact CG-CE2 4Å; L360-F364 WeakPolarHBondContact O-CD2 3.4Å; L360-F364 PolarHBondContact O-N 2.95Å; V361-F364 PolarHBondContact O-N 3.07Å; V361-F364 VanDerWaalsContact O-N 3.11Å; G362-F364 PolarHBondContact O-N 3.29Å; F364-F366 WeakPolarHBondContact O-CD2 3.48Å |
| 365 | L | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -81.7 | -15.6 | 177.1 | -61.9 | -168.4 | 0 | 0 | 0 | 113.2 | T273 L275 M293 R296 L297 V300 V361 G362 Y367 | T273-L365 HydrophobicContact CG2-CD1 4.28Å; L275-L365 HydrophobicContact CD2-CD1 3.83Å; M293-L365 HydrophobicContact CE-CB 4.14Å; M293-L365 HydrophobicContact CE-CD1 4.22Å; M293-L365 HydrophobicContact CE-CD2 3.83Å; M293-L365 HydrophobicContact CE-CG 4.26Å; R296-L365 HydrophobicContact CB-CD2 3.89Å; R296-L365 WeakPolarHBondContact CD-O 3.33Å; R296-L365 PolarHBondContact NH1-O 3.2Å; L297-L365 HydrophobicContact CD2-CD1 4.2Å; L297-L365 HydrophobicContact CD2-CD2 3.86Å; L297-L365 HydrophobicContact CG-CD2 3.96Å; V300-L365 HydrophobicContact CG2-CD2 3.6Å; V300-L365 HydrophobicContact CG2-CG 4.24Å; V361-L365 HydrophobicContact CG1-CD1 3.83Å; V361-L365 HydrophobicContact CG1-CG 4.11Å; V361-L365 WeakPolarHBondContact O-CG 3.45Å; V361-L365 PolarHBondContact O-N 3.34Å; G362-L365 PolarHBondContact O-N 2.71Å; L365-Y367 VanDerWaalsContact O-CD2 3.25Å; L365-Y367 WeakPolarHBondContact O-CD2 3.3Å; L365-Y367 PolarHBondContact O-N 3.44Å |
| 366 | F | 90.8 | Very high | 87.8 | Confident | 139 Ų | 139 | 52.7 Ų | 52.7 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 57.6 | 10.2 | -169.9 | -57 | -100.9 | 0 | 0 | 0 | 115.3 | G362 F364 | G362-F366 VanDerWaalsContact O-CA 3.28Å; G362-F366 WeakPolarHBondContact O-CA 3.38Å; G362-F366 PolarHBondContact O-N 2.91Å; F364-F366 WeakPolarHBondContact O-CD2 3.48Å |
| 367 | Y | 90.7 | Very high | 87.2 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -134.2 | 132.5 | 170 | -45.7 | -75 | 0 | 0 | 0 | 108.2 | L275 V278 D282 F289 M292 M293 R296 G362 L365 | L275-Y367 HydrophobicContact CD1-CD2 3.85Å; L275-Y367 HydrophobicContact CD1-CG 4.36Å; V278-Y367 HydrophobicContact CG1-CE1 4.36Å; V278-Y367 HydrophobicContact CG2-CD1 4.33Å; V278-Y367 HydrophobicContact CG2-CG 4.3Å; D282-Y367 VanDerWaalsContact CG-OH 3.26Å; D282-Y367 PolarHBondContact OD2-OH 3.17Å; F289-Y367 AromaticContact CE2-CE2 3.85Å; F289-Y367 HydrophobicContact CE2-CE2 3.85Å; M292-Y367 HydrophobicContact SD-CE2 4.39Å; M293-Y367 HydrophobicContact SD-CD2 3.91Å; M293-Y367 HydrophobicContact SD-CE2 3.68Å; R296-Y367 PolarHBondContact NH1-OH 3.45Å; G362-Y367 WeakPolarHBondContact CA-O 3.25Å; G362-Y367 PolarHBondContact O-N 3.04Å; L365-Y367 VanDerWaalsContact O-CD2 3.25Å; L365-Y367 WeakPolarHBondContact O-CD2 3.3Å; L365-Y367 PolarHBondContact O-N 3.44Å |
| 368 | P | 88.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 60 Ų | 60 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | trans | -68.1 | 128.5 | -178.7 | 25.4 | -31.6 | 0 | 0 | 0 | 111.3 | Q276 F277 | Q276-P368 HydrophobicContact CB-CG 4.24Å; Q276-P368 PolarHBondContact N-O 2.94Å; F277-P368 HydrophobicContact CD2-CG 4.19Å | ||
| 369 | P | 90.6 | Very high | 85 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.078 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.9 | 177.4 | 31.7 | -33 | 0 | 0 | 0 | 111.7 | T273 V274 L275 A358 V361 I372 | T273-P369 HydrophobicContact CG2-CB 4.41Å; V274-P369 CarbonylContact O-C 3.58Å; V274-P369 VanDerWaalsContact O-CA 3.28Å; V274-P369 WeakPolarHBondContact O-CA 3.29Å; L275-P369 HydrophobicContact CD2-CB 4.32Å; A358-P369 HydrophobicContact CB-CG 4.21Å; A358-P369 VanDerWaalsContact O-CD 3.28Å; A358-P369 WeakPolarHBondContact O-CD 3.34Å; A358-P369 WeakPolarHBondContact O-CG 3.48Å; V361-P369 HydrophobicContact CB-CG 4.28Å; V361-P369 HydrophobicContact CG1-CG 4.2Å; P369-I372 HydrophobicContact CG-CG1 4.35Å |
| 370 | L | 86.1 | Confident | 83.8 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -35 | 162.7 | -66.1 | 176.9 | 0 | 0 | 0 | 111.3 | V274 Q276 A330 | V274-L370 HydrophobicContact CB-CB 4.38Å; V274-L370 HydrophobicContact CG1-CB 4.27Å; V274-L370 HydrophobicContact CG1-CD1 4.18Å; V274-L370 PolarHBondContact O-N 3.26Å; Q276-L370 HydrophobicContact CB-CD1 4.45Å; Q276-L370 HydrophobicContact CB-CD2 4.31Å; Q276-L370 HydrophobicContact CB-CG 4.04Å; Q276-L370 HydrophobicContact CG-CD1 4.25Å; Q276-L370 HydrophobicContact CG-CD2 4.14Å; Q276-L370 HydrophobicContact CG-CG 4.18Å; A330-L370 HydrophobicContact CB-CD1 4.38Å |
| 371 | I | 84.9 | Confident | 82.7 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 119.6 | 176.3 | -60.8 | -178.4 | 0 | 0 | 0 | 107.2 | T273 V274 E374 | T273-I371 WeakPolarHBondContact CA-O 3.13Å; T273-I371 WeakPolarHBondContact CG2-O 3.41Å; V274-I371 HydrophobicContact CB-CB 4.06Å; V274-I371 HydrophobicContact CB-CD1 4.46Å; V274-I371 HydrophobicContact CB-CG1 4.25Å; V274-I371 HydrophobicContact CG2-CB 4.12Å; V274-I371 HydrophobicContact CG2-CD1 3.93Å; V274-I371 HydrophobicContact CG2-CG1 4.23Å; V274-I371 PolarHBondContact N-O 3.22Å; V274-I371 PolarHBondContact O-N 3.12Å; I371-E374 HydrophobicContact CG2-CB 3.68Å |
| 372 | I | 86.6 | Confident | 81.3 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | -62.2 | -173.9 | -65.4 | 175.2 | 0 | 0 | 0 | 111.3 | T273 L353 A358 V361 P369 | T273-I372 WeakPolarHBondContact CB-O 3.47Å; T273-I372 WeakPolarHBondContact CG2-O 3.41Å; T273-I372 PolarHBondContact OG1-O 2.76Å; L353-I372 HydrophobicContact CB-CG2 3.86Å; A358-I372 HydrophobicContact CB-CD1 4.01Å; A358-I372 HydrophobicContact CB-CG1 4.1Å; V361-I372 HydrophobicContact CG1-CG2 4.42Å; V361-I372 HydrophobicContact CG2-CG2 3.97Å; P369-I372 HydrophobicContact CG-CG1 4.35Å |
| 373 | A | 87.4 | Confident | 80.2 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 84.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L271 K272 S350 L353 | L271-A373 HydrophobicContact CD2-CB 4.31Å; K272-A373 WeakPolarHBondContact O-CA 3.27Å; S350-A373 WeakPolarHBondContact CB-O 3.26Å; S350-A373 PolarHBondContact OG-O 2.8Å; L353-A373 HydrophobicContact CB-CB 3.93Å; L353-A373 HydrophobicContact CD1-CB 3.8Å; L353-A373 HydrophobicContact CG-CB 4.44Å |
| 374 | E | 85.4 | Confident | 79.1 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.2 | 176.5 | 179.1 | -176 | -151 | 0 | 0 | 109.7 | L271 K272 I371 | L271-E374 CarbonylContact C-O 3.55Å; L271-E374 WeakPolarHBondContact CA-O 3.44Å; K272-E374 HydrophobicContact CB-CB 4.46Å; K272-E374 WeakPolarHBondContact CD-OE2 3.41Å; K272-E374 WeakPolarHBondContact CE-OE2 3.16Å; K272-E374 PolarHBondContact N-O 2.64Å; K272-E374 IonicContact NZ-OE2 2.73Å; K272-E374 PolarHBondContact NZ-OE2 2.81Å; K272-E374 PolarHBondContact O-N 3.32Å; I371-E374 HydrophobicContact CG2-CB 3.68Å |
| 375 | P | 82.8 | Confident | 78 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.9 | 171.9 | 30.9 | -32.7 | 0 | 0 | 0 | 110.2 | L271 T347 E377 Y378 | L271-P375 HydrophobicContact CD2-CB 4.36Å; T347-P375 HydrophobicContact CG2-CG 4.49Å; P375-E377 PolarHBondContact O-N 3.41Å; P375-Y378 HydrophobicContact CG-CD1 3.78Å; P375-Y378 HydrophobicContact CG-CD2 4.1Å; P375-Y378 HydrophobicContact CG-CE1 3.52Å; P375-Y378 HydrophobicContact CG-CE2 3.85Å; P375-Y378 HydrophobicContact CG-CG 4.07Å |
| 376 | L | 78.1 | Confident | 76.9 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -72.5 | -14.3 | -179.4 | -82 | 164.2 | 0 | 0 | 0 | 113.7 | Q270 K272 V334 | Q270-L376 HydrophobicContact CB-CB 4.27Å; Q270-L376 HydrophobicContact CB-CD1 3.75Å; Q270-L376 PolarHBondContact O-N 2.92Å; K272-L376 HydrophobicContact CB-CD2 4.31Å; K272-L376 HydrophobicContact CB-CG 4.16Å; K272-L376 HydrophobicContact CD-CD2 4.17Å; V334-L376 HydrophobicContact CB-CD1 4.37Å; V334-L376 HydrophobicContact CG1-CD1 3.44Å; V334-L376 VanDerWaalsContact CG1-CD1 3.44Å; V334-L376 HydrophobicContact CG2-CD1 4.04Å |
| 377 | E | 73.1 | Confident | 76.2 | Confident | 89 Ų | 89 | 67.9 Ų | 67.9 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -142.6 | 111.6 | 171.6 | 177.7 | -179.9 | -178.5 | 0 | 0 | 107.5 | T267 G268 P375 | T267-E377 WeakPolarHBondContact CB-OE2 3.42Å; T267-E377 PolarHBondContact OG1-OE2 3.16Å; G268-E377 PolarHBondContact N-OE2 3.31Å; P375-E377 PolarHBondContact O-N 3.41Å |
| 378 | Y | 65.5 | Low | 75.7 | Confident | 142 Ų | 142 | 72.7 Ų | 72.7 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | trans | -74 | 139 | 170.6 | -71.8 | -97 | 0 | 0 | 0 | 109.1 | P375 N380 | P375-Y378 HydrophobicContact CG-CD1 3.78Å; P375-Y378 HydrophobicContact CG-CD2 4.1Å; P375-Y378 HydrophobicContact CG-CE1 3.52Å; P375-Y378 HydrophobicContact CG-CE2 3.85Å; P375-Y378 HydrophobicContact CG-CG 4.07Å; Y378-N380 PolarHBondContact O-N 3.48Å | ||
| 379 | H | 61.6 | Low | 75.2 | Confident | 133 Ų | 133 | 73.1 Ų | 73.1 | 62% | 0.616 | 37% | 0.368 | S | S | * | . | trans | -71.3 | 104.5 | 175 | -175 | 62.6 | 0 | 0 | 0 | 109.3 | T347 L381 | T347-H379 HydrophobicContact CG2-CB 4.34Å; H379-L381 PolarHBondContact O-N 2.79Å | ||
| 380 | N | 63.1 | Low | 74.8 | Confident | 98 Ų | 98 | 75.4 Ų | 75.4 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | trans | -54.5 | 129.1 | 174.9 | -69.8 | -57.3 | 0 | 0 | 0 | 110.1 | Y378 Q445 | Y378-N380 PolarHBondContact O-N 3.48Å; N380-Q445 PolarHBondContact OD1-NE2 2.85Å | ||
| 381 | L | 66.4 | Low | 74.9 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | trans | -65.9 | 147.8 | 172.9 | -59.9 | 169 | 0 | 0 | 0 | 108.6 | H379 T383 Q445 Y464 Q466 | H379-L381 PolarHBondContact O-N 2.79Å; L381-T383 PolarHBondContact O-N 3.37Å; L381-Q445 HydrophobicContact CD1-CB 3.89Å; L381-Q445 HydrophobicContact CG-CB 4.5Å; L381-Y464 HydrophobicContact CB-CD1 3.76Å; L381-Y464 HydrophobicContact CB-CE1 3.67Å; L381-Y464 HydrophobicContact CD1-CD1 3.64Å; L381-Y464 HydrophobicContact CD1-CE1 3.72Å; L381-Y464 HydrophobicContact CD2-CE1 4.16Å; L381-Y464 HydrophobicContact CG-CD1 4.22Å; L381-Y464 HydrophobicContact CG-CE1 4.03Å; L381-Q466 HydrophobicContact CD1-CB 4.4Å; L381-Q466 VanDerWaalsContact CD2-OE1 3.3Å | ||
| 382 | N | 62.3 | Low | 75.1 | Confident | 112 Ų | 112 | 69.2 Ų | 69.2 | 60% | 0.599 | 34% | 0.343 | S | S | * | . | trans | -66.7 | 91.9 | -176 | -77.4 | -12.4 | 0 | 0 | 0 | 111.1 | S384 T387 | N382-S384 PolarHBondContact O-N 3.03Å; N382-S384 VanDerWaalsContact O-N 3.14Å; N382-T387 HydrophobicContact CB-CG2 4.3Å; N382-T387 WeakPolarHBondContact O-CB 3.45Å; N382-T387 WeakPolarHBondContact O-CG2 3.32Å; N382-T387 PolarHBondContact O-OG1 3.42Å | ||
| 383 | T | 65.1 | Low | 75.2 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | trans | -80.5 | 23.8 | 173.7 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | L381 V447 | L381-T383 PolarHBondContact O-N 3.37Å; T383-V447 HydrophobicContact CG2-CG2 3.94Å | ||
| 384 | S | 68.8 | Low | 75.3 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -63.4 | 157.3 | 174.2 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | N382 E386 T387 W391 | N382-S384 PolarHBondContact O-N 3.03Å; N382-S384 VanDerWaalsContact O-N 3.14Å; S384-E386 PolarHBondContact O-N 3.43Å; S384-T387 PolarHBondContact O-N 3.48Å; S384-T387 PolarHBondContact O-OG1 3.04Å; S384-W391 WeakPolarHBondContact O-CZ2 3.41Å |
| 385 | V | 68.4 | Low | 75.5 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -55.9 | -25.3 | -180 | 170.7 | 0 | 0 | 0 | 0 | 112.7 | T387 R388 | V385-T387 VanDerWaalsContact C-N 3.32Å; V385-T387 PolarHBondContact O-N 2.93Å; V385-R388 WeakPolarHBondContact O-CD 3.45Å; V385-R388 VanDerWaalsContact O-CG 3.26Å; V385-R388 WeakPolarHBondContact O-CG 3.48Å |
| 386 | E | 68.4 | Low | 75.9 | Confident | 166 Ų | 166 | 65.5 Ų | 65.5 | 78% | 0.776 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -67.5 | -24.6 | 177.5 | -62 | 168.2 | 164.9 | 0 | 0 | 113.6 | S384 R388 | S384-E386 PolarHBondContact O-N 3.43Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.81Å |
| 387 | T | 77.1 | Confident | 76.4 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -90.5 | 9.4 | -177.5 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | N382 S384 V385 D389 F390 W391 Y464 | N382-T387 HydrophobicContact CB-CG2 4.3Å; N382-T387 WeakPolarHBondContact O-CB 3.45Å; N382-T387 WeakPolarHBondContact O-CG2 3.32Å; N382-T387 PolarHBondContact O-OG1 3.42Å; S384-T387 PolarHBondContact O-N 3.48Å; S384-T387 PolarHBondContact O-OG1 3.04Å; V385-T387 VanDerWaalsContact C-N 3.32Å; V385-T387 PolarHBondContact O-N 2.93Å; T387-D389 PolarHBondContact O-N 2.96Å; T387-D389 VanDerWaalsContact O-N 3.14Å; T387-F390 WeakPolarHBondContact O-CA 3.13Å; T387-F390 WeakPolarHBondContact O-CB 3.49Å; T387-F390 WeakPolarHBondContact O-CD2 3.23Å; T387-F390 PolarHBondContact O-N 2.81Å; T387-W391 PolarHBondContact O-NE1 2.9Å; T387-W391 PolarHBondContact OG1-NE1 3.15Å; T387-Y464 HydrophobicContact CG2-CE2 4.35Å |
| 388 | R | 78.8 | Confident | 76.9 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -55.8 | -30.1 | -179.3 | -77.8 | 174.3 | 175.1 | -179.2 | 0.3 | 114.7 | V385 E386 F390 W391 V505 | V385-R388 WeakPolarHBondContact O-CD 3.45Å; V385-R388 VanDerWaalsContact O-CG 3.26Å; V385-R388 WeakPolarHBondContact O-CG 3.48Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.81Å; R388-F390 PolarHBondContact O-N 2.97Å; R388-W391 HydrophobicContact CB-CD2 4.46Å; R388-W391 HydrophobicContact CG-CD2 3.97Å; R388-W391 HydrophobicContact CG-CE3 3.77Å; R388-W391 HydrophobicContact CG-CH2 3.75Å; R388-W391 HydrophobicContact CG-CZ2 3.92Å; R388-W391 HydrophobicContact CG-CZ3 3.67Å; R388-W391 PolarHBondContact O-N 3.22Å; R388-W391 VanDerWaalsContact O-N 3.16Å; R388-V505 HydrophobicContact CB-CG2 3.93Å |
| 389 | D | 78 | Confident | 77.8 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -65.4 | -12.8 | 174.4 | -69.1 | -28 | 0 | 0 | 0 | 114 | T387 S473 G474 V505 | T387-D389 PolarHBondContact O-N 2.96Å; T387-D389 VanDerWaalsContact O-N 3.14Å; D389-S473 PolarHBondContact O-OG 3.35Å; D389-G474 PolarHBondContact O-N 3.26Å; D389-V505 WeakPolarHBondContact OD1-CB 3.25Å; D389-V505 WeakPolarHBondContact OD1-CG1 3.3Å; D389-V505 WeakPolarHBondContact OD1-CG2 3.22Å |
| 390 | F | 83.6 | Confident | 78.8 | Confident | 60 Ų | 60 | 55 Ų | 55 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -109.7 | 1.5 | 179.4 | -51 | -82.3 | 0 | 0 | 0 | 112.6 | T387 R388 Y464 P471 | T387-F390 WeakPolarHBondContact O-CA 3.13Å; T387-F390 WeakPolarHBondContact O-CB 3.49Å; T387-F390 WeakPolarHBondContact O-CD2 3.23Å; T387-F390 PolarHBondContact O-N 2.81Å; R388-F390 PolarHBondContact O-N 2.97Å; F390-Y464 HydrophobicContact CB-CD2 3.71Å; F390-Y464 HydrophobicContact CB-CE2 3.64Å; F390-Y464 HydrophobicContact CG-CE2 4.26Å; F390-P471 HydrophobicContact CD1-CB 3.6Å; F390-P471 HydrophobicContact CE1-CB 3.82Å; F390-P471 HydrophobicContact CE1-CG 4.26Å; F390-P471 HydrophobicContact CG-CB 4.04Å; F390-P471 HydrophobicContact CZ-CB 4.42Å |
| 391 | W | 87.4 | Confident | 79.3 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 139 | 179.3 | -60.9 | 3.9 | 0 | 0 | 0 | 111.2 | S384 T387 R388 V447 T462 Y463 Y464 V504 | S384-W391 WeakPolarHBondContact O-CZ2 3.41Å; T387-W391 PolarHBondContact O-NE1 2.9Å; T387-W391 PolarHBondContact OG1-NE1 3.15Å; R388-W391 HydrophobicContact CB-CD2 4.46Å; R388-W391 HydrophobicContact CG-CD2 3.97Å; R388-W391 HydrophobicContact CG-CE3 3.77Å; R388-W391 HydrophobicContact CG-CH2 3.75Å; R388-W391 HydrophobicContact CG-CZ2 3.92Å; R388-W391 HydrophobicContact CG-CZ3 3.67Å; R388-W391 PolarHBondContact O-N 3.22Å; R388-W391 VanDerWaalsContact O-N 3.16Å; W391-V447 HydrophobicContact CD2-CG1 4.08Å; W391-V447 HydrophobicContact CD2-CG2 4.18Å; W391-V447 HydrophobicContact CE3-CG1 3.97Å; W391-V447 HydrophobicContact CG-CG2 4.32Å; W391-V447 HydrophobicContact CH2-CG1 3.66Å; W391-V447 HydrophobicContact CZ2-CG1 3.77Å; W391-V447 HydrophobicContact CZ3-CG1 3.76Å; W391-T462 HydrophobicContact CB-CG2 4.05Å; W391-T462 HydrophobicContact CD2-CG2 4.36Å; W391-T462 HydrophobicContact CE3-CG2 3.87Å; W391-T462 HydrophobicContact CG-CG2 4.46Å; W391-Y463 WeakPolarHBondContact CA-O 3.24Å; W391-Y464 AromaticContact CD1-CD2 3.98Å; W391-V504 HydrophobicContact CB-CB 3.91Å; W391-V504 HydrophobicContact CB-CG2 3.45Å; W391-V504 VanDerWaalsContact CB-CG2 3.45Å; W391-V504 HydrophobicContact CE3-CG1 4.45Å; W391-V504 HydrophobicContact CE3-CG2 4.34Å; W391-V504 PolarHBondContact O-N 3.49Å |
| 392 | V | 88.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.1 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | T394 T462 Y463 A477 A478 A501 | V392-T394 HydrophobicContact CG1-CG2 4.45Å; V392-T462 VanDerWaalsContact O-CA 3.31Å; V392-T462 WeakPolarHBondContact O-CA 3.27Å; V392-Y463 HydrophobicContact CB-CD2 4.31Å; V392-Y463 HydrophobicContact CB-CE2 3.68Å; V392-Y463 HydrophobicContact CG1-CE2 4.12Å; V392-Y463 VanDerWaalsContact CG1-OH 3.3Å; V392-Y463 WeakPolarHBondContact CG1-OH 3.34Å; V392-Y463 HydrophobicContact CG2-CE2 4.28Å; V392-Y463 PolarHBondContact N-O 3.3Å; V392-Y463 PolarHBondContact O-N 2.84Å; V392-A477 HydrophobicContact CG2-CB 3.47Å; V392-A477 VanDerWaalsContact CG2-CB 3.47Å; V392-A478 HydrophobicContact CG1-CB 4.29Å; V392-A501 HydrophobicContact CG1-CB 3.74Å |
| 393 | V | 89.5 | Confident | 80.2 | Confident | 17 Ų | 17 | 52 Ų | 52 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.1 | 174.1 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | E460 M461 A501 E502 V504 | V393-E460 HydrophobicContact CG1-CG 3.33Å; V393-M461 WeakPolarHBondContact CA-O 3.27Å; V393-A501 WeakPolarHBondContact O-CA 3.44Å; V393-E502 PolarHBondContact N-O 3.03Å; V393-E502 PolarHBondContact O-N 2.89Å; V393-V504 HydrophobicContact CG2-CB 4.35Å; V393-V504 HydrophobicContact CG2-CG2 3.35Å |
| 394 | T | 89.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.8 | 167.8 | 61.3 | 0 | 0 | 0 | 0 | 109.3 | V392 M461 Y463 V499 Q500 A501 | V392-T394 HydrophobicContact CG1-CG2 4.45Å; T394-M461 PolarHBondContact N-O 2.81Å; T394-M461 PolarHBondContact O-N 3.23Å; T394-M461 WeakPolarHBondContact OG1-CE 3.45Å; T394-M461 WeakPolarHBondContact OG1-CG 3.4Å; T394-Y463 HydrophobicContact CG2-CE1 3.66Å; T394-Y463 WeakPolarHBondContact CG2-OH 3.48Å; T394-V499 WeakPolarHBondContact CA-O 3.49Å; T394-Q500 WeakPolarHBondContact CG2-O 3.25Å; T394-A501 HydrophobicContact CG2-CB 4.23Å |
| 395 | V | 89.9 | Confident | 80.6 | Confident | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.3 | 179.4 | -177 | 0 | 0 | 0 | 0 | 109.2 | P458 A459 E460 Q498 V499 | V395-P458 HydrophobicContact CG1-CB 3.87Å; V395-A459 WeakPolarHBondContact CA-O 3.39Å; V395-E460 HydrophobicContact CG2-CB 4.42Å; V395-Q498 HydrophobicContact CB-CB 4.32Å; V395-Q498 HydrophobicContact CG1-CB 4.17Å; V395-Q498 PolarHBondContact O-N 3.44Å; V395-V499 HydrophobicContact CB-CB 3.91Å; V395-V499 HydrophobicContact CB-CG2 3.94Å; V395-V499 HydrophobicContact CG2-CB 3.96Å; V395-V499 HydrophobicContact CG2-CG2 3.88Å; V395-V499 PolarHBondContact N-O 3.42Å; V395-V499 PolarHBondContact O-N 3.44Å |
| 396 | I | 90.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148.7 | 177 | 52.9 | 173.1 | 0 | 0 | 0 | 110.3 | V399 F411 M415 I449 P458 A459 M461 L493 Y495 F496 V497 | I396-V399 HydrophobicContact CB-CG2 4.43Å; I396-V399 HydrophobicContact CD1-CG2 3.56Å; I396-V399 HydrophobicContact CG1-CG2 3.72Å; I396-F411 HydrophobicContact CD1-CZ 4.02Å; I396-M415 HydrophobicContact CD1-CE 3.94Å; I396-I449 HydrophobicContact CD1-CD1 4.28Å; I396-P458 CarbonylContact O-C 3.48Å; I396-P458 VanDerWaalsContact O-CA 3.26Å; I396-P458 WeakPolarHBondContact O-CA 3.25Å; I396-A459 HydrophobicContact CG1-CB 4.27Å; I396-A459 WeakPolarHBondContact CG1-O 3.46Å; I396-A459 PolarHBondContact N-O 3.47Å; I396-A459 PolarHBondContact O-N 2.81Å; I396-M461 HydrophobicContact CD1-SD 4.5Å; I396-L493 HydrophobicContact CG2-CD1 4.12Å; I396-Y495 HydrophobicContact CD1-CD2 4.39Å; I396-Y495 HydrophobicContact CD1-CG 4.45Å; I396-F496 CarbonylContact C-O 3.54Å; I396-F496 WeakPolarHBondContact CA-O 3.25Å; I396-V497 HydrophobicContact CG2-CG2 4.35Å |
| 397 | Q | 88.5 | Confident | 80.9 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -106.1 | 165.3 | -179.1 | -66.8 | -178.7 | -7.7 | 0 | 0 | 111.7 | V399 K456 F496 Q498 | Q397-V399 VanDerWaalsContact C-N 3.28Å; Q397-V399 PolarHBondContact O-N 3.16Å; Q397-K456 HydrophobicContact CB-CB 4.18Å; Q397-K456 HydrophobicContact CG-CB 4.38Å; Q397-F496 HydrophobicContact CB-CB 4.22Å; Q397-F496 PolarHBondContact N-O 3.4Å; Q397-Q498 HydrophobicContact CG-CB 4.15Å |
| 398 | D | 84.3 | Confident | 80.9 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 57.7 | 37.3 | 173.3 | -57.6 | -48.2 | 0 | 0 | 0 | 113.4 | K456 | D398-K456 PolarHBondContact N-O 2.78Å; D398-K456 VanDerWaalsContact OD1-CB 3.29Å; D398-K456 WeakPolarHBondContact OD1-CB 3.26Å; D398-K456 IonicContact OD1-NZ 2.65Å; D398-K456 IonicContact OD2-NZ 2.81Å; D398-K456 PolarHBondContact OD2-NZ 2.93Å |
| 399 | V | 85.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -90.7 | 127.7 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | I396 Q397 S403 L404 F411 R451 A459 Y495 | I396-V399 HydrophobicContact CB-CG2 4.43Å; I396-V399 HydrophobicContact CD1-CG2 3.56Å; I396-V399 HydrophobicContact CG1-CG2 3.72Å; Q397-V399 VanDerWaalsContact C-N 3.28Å; Q397-V399 PolarHBondContact O-N 3.16Å; V399-S403 WeakPolarHBondContact CG1-OG 3.4Å; V399-L404 HydrophobicContact CG1-CD1 4.37Å; V399-L404 HydrophobicContact CG1-CD2 4.2Å; V399-L404 HydrophobicContact CG1-CG 4.13Å; V399-F411 HydrophobicContact CG1-CE2 4.29Å; V399-F411 HydrophobicContact CG1-CZ 4.22Å; V399-R451 PolarHBondContact O-NH2 3.38Å; V399-A459 HydrophobicContact CB-CB 4.18Å; V399-A459 HydrophobicContact CG1-CB 4.39Å; V399-A459 HydrophobicContact CG2-CB 4.13Å; V399-Y495 HydrophobicContact CG2-CD1 3.96Å; V399-Y495 HydrophobicContact CG2-CE1 4.13Å; V399-Y495 HydrophobicContact CG2-CG 4.45Å | ||
| 400 | D | 82.1 | Confident | 80.6 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | trans | -68.7 | 144.7 | 179.1 | -73.6 | -48.4 | 0 | 0 | 0 | 113.9 | A402 S403 | D400-A402 VanDerWaalsContact C-N 3.31Å; D400-A402 PolarHBondContact O-N 3.24Å; D400-S403 PolarHBondContact O-N 3.38Å; D400-S403 PolarHBondContact O-OG 3.15Å | ||
| 401 | N | 74.2 | Confident | 80.5 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 174.4 | -70.8 | -25.1 | 0 | 0 | 0 | 112.7 | S403 L404 E405 R451 | N401-S403 VanDerWaalsContact C-N 3.3Å; N401-S403 PolarHBondContact O-N 3.14Å; N401-L404 PolarHBondContact O-N 2.76Å; N401-E405 PolarHBondContact O-N 2.86Å; N401-R451 VanDerWaalsContact OD1-CZ 3.25Å; N401-R451 PolarHBondContact OD1-NE 2.8Å; N401-R451 PolarHBondContact OD1-NH2 3.18Å |
| 402 | A | 71.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 52 Ų | 52 | 50% | 0.504 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D400 L404 E405 G406 Q407 | D400-A402 VanDerWaalsContact C-N 3.31Å; D400-A402 PolarHBondContact O-N 3.24Å; A402-L404 PolarHBondContact O-N 3.49Å; A402-E405 PolarHBondContact O-N 3.09Å; A402-G406 WeakPolarHBondContact O-CA 3.3Å; A402-G406 PolarHBondContact O-N 3.31Å; A402-Q407 PolarHBondContact O-N 3.14Å; A402-Q407 PolarHBondContact O-OE1 3.13Å |
| 403 | S | 74.8 | Confident | 79.5 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -30.6 | -179.7 | 73 | 0 | 0 | 0 | 0 | 113.7 | V399 D400 N401 Q407 Y408 | V399-S403 WeakPolarHBondContact CG1-OG 3.4Å; D400-S403 PolarHBondContact O-N 3.38Å; D400-S403 PolarHBondContact O-OG 3.15Å; N401-S403 VanDerWaalsContact C-N 3.3Å; N401-S403 PolarHBondContact O-N 3.14Å; S403-Q407 CarbonylContact O-C 3.48Å; S403-Q407 VanDerWaalsContact O-C 3.27Å; S403-Y408 WeakPolarHBondContact O-CA 3.4Å; S403-Y408 PolarHBondContact O-N 3.31Å |
| 404 | L | 74.4 | Confident | 79.1 | Confident | 25 Ų | 25 | 57 Ų | 57 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -83.6 | -34.5 | -179.1 | -63.6 | 172.2 | 0 | 0 | 0 | 112.9 | V399 N401 A402 I449 R451 | V399-L404 HydrophobicContact CG1-CD1 4.37Å; V399-L404 HydrophobicContact CG1-CD2 4.2Å; V399-L404 HydrophobicContact CG1-CG 4.13Å; N401-L404 PolarHBondContact O-N 2.76Å; A402-L404 PolarHBondContact O-N 3.49Å; L404-I449 HydrophobicContact CD2-CB 4.33Å; L404-I449 HydrophobicContact CD2-CD1 3.63Å; L404-I449 HydrophobicContact CD2-CG1 3.68Å; L404-I449 HydrophobicContact CD2-CG2 3.77Å; L404-R451 HydrophobicContact CD1-CB 4.26Å |
| 405 | E | 69.1 | Low | 78.8 | Confident | 170 Ų | 170 | 56.9 Ų | 56.9 | 79% | 0.794 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -104.4 | -39.3 | -171.1 | -65.1 | 179.7 | 172.2 | 0 | 0 | 113.4 | N401 A402 | N401-E405 PolarHBondContact O-N 2.86Å; A402-E405 PolarHBondContact O-N 3.09Å |
| 406 | G | 66.3 | Low | 78.6 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -30.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A402 | A402-G406 WeakPolarHBondContact O-CA 3.3Å; A402-G406 PolarHBondContact O-N 3.31Å |
| 407 | Q | 76.3 | Confident | 78.1 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -119.7 | 23.8 | -176.3 | -70.7 | 82.8 | 18.7 | 0 | 0 | 113.8 | A402 S403 Q409 S410 F411 | A402-Q407 PolarHBondContact O-N 3.14Å; A402-Q407 PolarHBondContact O-OE1 3.13Å; S403-Q407 CarbonylContact O-C 3.48Å; S403-Q407 VanDerWaalsContact O-C 3.27Å; Q407-Q409 VanDerWaalsContact C-N 3.29Å; Q407-Q409 PolarHBondContact O-N 2.99Å; Q407-Q409 VanDerWaalsContact O-N 3.11Å; Q407-S410 PolarHBondContact O-N 3.32Å; Q407-S410 PolarHBondContact O-OG 2.85Å; Q407-S410 VanDerWaalsContact O-OG 3.08Å; Q407-F411 WeakPolarHBondContact O-CB 3.15Å; Q407-F411 PolarHBondContact O-N 2.83Å |
| 408 | Y | 77.8 | Confident | 77.9 | Confident | 80 Ų | 80 | 66.5 Ų | 66.5 | 31% | 0.314 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -45.4 | -48.9 | -176.1 | -178.1 | -83.1 | 0 | 0 | 0 | 113.5 | S403 F411 A412 I449 | S403-Y408 WeakPolarHBondContact O-CA 3.4Å; S403-Y408 PolarHBondContact O-N 3.31Å; Y408-F411 PolarHBondContact O-N 3.48Å; Y408-A412 HydrophobicContact CE1-CB 4.28Å; Y408-A412 WeakPolarHBondContact O-CB 3.37Å; Y408-A412 PolarHBondContact O-N 3.46Å; Y408-I449 HydrophobicContact CD2-CG2 3.98Å; Y408-I449 HydrophobicContact CE2-CG2 3.5Å |
| 409 | Q | 76.2 | Confident | 78 | Confident | 143 Ų | 143 | 63.3 Ų | 63.3 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.8 | -42.7 | -173.7 | -166.7 | 65.8 | 30 | 0 | 0 | 112.8 | Q407 S413 | Q407-Q409 VanDerWaalsContact C-N 3.29Å; Q407-Q409 PolarHBondContact O-N 2.99Å; Q407-Q409 VanDerWaalsContact O-N 3.11Å; Q409-S413 PolarHBondContact O-N 3.45Å; Q409-S413 VanDerWaalsContact O-N 3.07Å; Q409-S413 PolarHBondContact O-OG 2.86Å |
| 410 | S | 74.7 | Confident | 78 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -76.2 | -30.9 | 179.1 | 44.2 | 0 | 0 | 0 | 0 | 112.4 | Q407 S413 L414 | Q407-S410 PolarHBondContact O-N 3.32Å; Q407-S410 PolarHBondContact O-OG 2.85Å; Q407-S410 VanDerWaalsContact O-OG 3.08Å; S410-S413 WeakPolarHBondContact CA-OG 3.17Å; S410-S413 PolarHBondContact O-OG 3.22Å; S410-S413 VanDerWaalsContact O-OG 3.1Å; S410-L414 WeakPolarHBondContact O-CB 3.43Å; S410-L414 PolarHBondContact O-N 3.25Å |
| 411 | F | 80.1 | Confident | 78 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66 | -47.3 | 169.4 | -177.5 | -86.8 | 0 | 0 | 0 | 111.1 | I396 V399 Q407 Y408 S413 L414 M415 I449 Y495 | I396-F411 HydrophobicContact CD1-CZ 4.02Å; V399-F411 HydrophobicContact CG1-CE2 4.29Å; V399-F411 HydrophobicContact CG1-CZ 4.22Å; Q407-F411 WeakPolarHBondContact O-CB 3.15Å; Q407-F411 PolarHBondContact O-N 2.83Å; Y408-F411 PolarHBondContact O-N 3.48Å; F411-S413 PolarHBondContact O-N 3.36Å; F411-L414 PolarHBondContact O-N 3.47Å; F411-M415 HydrophobicContact CD1-CG 3.97Å; F411-M415 HydrophobicContact CE1-CG 3.45Å; F411-M415 VanDerWaalsContact CE1-CG 3.45Å; F411-M415 HydrophobicContact CE1-SD 4.47Å; F411-M415 HydrophobicContact CE2-CG 4.27Å; F411-M415 HydrophobicContact CZ-CG 3.63Å; F411-M415 HydrophobicContact CZ-SD 4.08Å; F411-M415 WeakPolarHBondContact O-CG 3.43Å; F411-M415 PolarHBondContact O-N 2.99Å; F411-I449 HydrophobicContact CD1-CD1 4.31Å; F411-I449 HydrophobicContact CE1-CD1 3.45Å; F411-I449 VanDerWaalsContact CE1-CD1 3.45Å; F411-I449 HydrophobicContact CZ-CD1 4.08Å; F411-Y495 AromaticContact CE2-CE2 3.82Å; F411-Y495 HydrophobicContact CE2-CE2 3.82Å; F411-Y495 AromaticContact CE2-CZ 3.88Å; F411-Y495 HydrophobicContact CZ-CE2 4.22Å |
| 412 | A | 81.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.4 | -50.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y408 L414 M415 E416 M446 | Y408-A412 HydrophobicContact CE1-CB 4.28Å; Y408-A412 WeakPolarHBondContact O-CB 3.37Å; Y408-A412 PolarHBondContact O-N 3.46Å; A412-L414 VanDerWaalsContact C-N 3.31Å; A412-L414 PolarHBondContact O-N 3.4Å; A412-M415 PolarHBondContact O-N 3.12Å; A412-M415 VanDerWaalsContact O-N 3.14Å; A412-E416 WeakPolarHBondContact O-CB 3.34Å; A412-E416 VanDerWaalsContact O-CG 3.26Å; A412-E416 WeakPolarHBondContact O-CG 3.34Å; A412-E416 PolarHBondContact O-N 2.9Å; A412-M446 HydrophobicContact CB-CB 4.06Å; A412-M446 HydrophobicContact CB-CG 4.18Å |
| 413 | S | 72.9 | Confident | 79.2 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 178.9 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | Q409 S410 F411 E416 Q417 | Q409-S413 PolarHBondContact O-N 3.45Å; Q409-S413 VanDerWaalsContact O-N 3.07Å; Q409-S413 PolarHBondContact O-OG 2.86Å; S410-S413 WeakPolarHBondContact CA-OG 3.17Å; S410-S413 PolarHBondContact O-OG 3.22Å; S410-S413 VanDerWaalsContact O-OG 3.1Å; F411-S413 PolarHBondContact O-N 3.36Å; S413-E416 WeakPolarHBondContact CA-OE2 3.44Å; S413-Q417 PolarHBondContact O-N 3.32Å; S413-Q417 VanDerWaalsContact O-N 3.09Å |
| 414 | L | 82.1 | Confident | 79.6 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 175.8 | 173 | 147.1 | 0 | 0 | 0 | 111.5 | S410 F411 A412 R418 | S410-L414 WeakPolarHBondContact O-CB 3.43Å; S410-L414 PolarHBondContact O-N 3.25Å; F411-L414 PolarHBondContact O-N 3.47Å; A412-L414 VanDerWaalsContact C-N 3.31Å; A412-L414 PolarHBondContact O-N 3.4Å; L414-R418 VanDerWaalsContact O-CG 3.3Å; L414-R418 WeakPolarHBondContact O-CG 3.24Å; L414-R418 PolarHBondContact O-N 3.07Å; L414-R418 VanDerWaalsContact O-N 3.09Å |
| 415 | M | 83.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.1 | -34.7 | 176.7 | -67 | -58 | -67.8 | 0 | 0 | 112.4 | I396 F411 A412 R418 L419 M446 M461 L493 Y495 | I396-M415 HydrophobicContact CD1-CE 3.94Å; F411-M415 HydrophobicContact CD1-CG 3.97Å; F411-M415 HydrophobicContact CE1-CG 3.45Å; F411-M415 VanDerWaalsContact CE1-CG 3.45Å; F411-M415 HydrophobicContact CE1-SD 4.47Å; F411-M415 HydrophobicContact CE2-CG 4.27Å; F411-M415 HydrophobicContact CZ-CG 3.63Å; F411-M415 HydrophobicContact CZ-SD 4.08Å; F411-M415 WeakPolarHBondContact O-CG 3.43Å; F411-M415 PolarHBondContact O-N 2.99Å; A412-M415 PolarHBondContact O-N 3.12Å; A412-M415 VanDerWaalsContact O-N 3.14Å; M415-R418 PolarHBondContact O-N 2.8Å; M415-L419 VanDerWaalsContact O-CB 3.22Å; M415-L419 WeakPolarHBondContact O-CB 3.25Å; M415-L419 WeakPolarHBondContact O-CD1 3.08Å; M415-L419 WeakPolarHBondContact O-CG 3.33Å; M415-L419 PolarHBondContact O-N 2.82Å; M415-M446 HydrophobicContact CB-CE 3.8Å; M415-M461 HydrophobicContact CB-SD 4.3Å; M415-M461 HydrophobicContact CE-CE 3.52Å; M415-M461 HydrophobicContact CE-SD 3.5Å; M415-M461 WeakPolarHBondContact CE-SD 3.24Å; M415-L493 HydrophobicContact CE-CB 4.24Å; M415-L493 HydrophobicContact CE-CD1 4.28Å; M415-L493 HydrophobicContact CE-CD2 3.8Å; M415-L493 HydrophobicContact CE-CG 4.31Å; M415-Y495 HydrophobicContact CE-CD2 4.44Å; M415-Y495 HydrophobicContact SD-CD2 4.07Å; M415-Y495 HydrophobicContact SD-CE2 4.1Å |
| 416 | E | 85.6 | Confident | 80.6 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 171.3 | -74.6 | 167.8 | 167.3 | 0 | 0 | 111.3 | A412 S413 L419 A420 Q445 M446 | A412-E416 WeakPolarHBondContact O-CB 3.34Å; A412-E416 VanDerWaalsContact O-CG 3.26Å; A412-E416 WeakPolarHBondContact O-CG 3.34Å; A412-E416 PolarHBondContact O-N 2.9Å; S413-E416 WeakPolarHBondContact CA-OE2 3.44Å; E416-L419 PolarHBondContact O-N 3.16Å; E416-A420 WeakPolarHBondContact O-CB 3.49Å; E416-A420 PolarHBondContact O-N 3.09Å; E416-Q445 WeakPolarHBondContact OE1-CA 3.28Å; E416-M446 HydrophobicContact CG-CB 4.11Å; E416-M446 WeakPolarHBondContact OE1-CB 3.26Å; E416-M446 PolarHBondContact OE1-N 3.42Å |
| 417 | Q | 79 | Confident | 80.8 | Confident | 130 Ų | 130 | 49.5 Ų | 49.5 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.7 | -53.6 | 174.5 | -176.5 | -179.2 | -5.4 | 0 | 0 | 111.5 | S413 L419 A420 D421 | S413-Q417 PolarHBondContact O-N 3.32Å; S413-Q417 VanDerWaalsContact O-N 3.09Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.04Å; Q417-A420 PolarHBondContact O-N 2.93Å; Q417-A420 VanDerWaalsContact O-N 3.09Å; Q417-D421 PolarHBondContact O-N 2.84Å |
| 418 | R | 85.5 | Confident | 80.1 | Confident | 82 Ų | 82 | 51 Ų | 51 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -31.2 | -178.3 | -70.6 | 174.6 | 174.3 | -169.8 | -0.5 | 112.9 | L414 M415 L422 T492 L493 | L414-R418 VanDerWaalsContact O-CG 3.3Å; L414-R418 WeakPolarHBondContact O-CG 3.24Å; L414-R418 PolarHBondContact O-N 3.07Å; L414-R418 VanDerWaalsContact O-N 3.09Å; M415-R418 PolarHBondContact O-N 2.8Å; R418-L422 PolarHBondContact O-N 2.84Å; R418-L422 VanDerWaalsContact O-N 3.11Å; R418-T492 WeakPolarHBondContact CB-O 3.17Å; R418-T492 VanDerWaalsContact CD-O 3.25Å; R418-T492 WeakPolarHBondContact CD-O 3.24Å; R418-T492 VanDerWaalsContact CG-O 3.29Å; R418-T492 WeakPolarHBondContact CG-O 3.24Å; R418-L493 HydrophobicContact CB-CD2 3.9Å; R418-L493 WeakPolarHBondContact CD-O 3.31Å; R418-L493 PolarHBondContact NH1-O 2.85Å |
| 419 | L | 86.6 | Confident | 79 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.5 | -43.6 | 171.4 | -78.8 | 167.3 | 0 | 0 | 0 | 112.3 | M415 E416 Q417 D421 L422 F423 V444 M446 M461 Y463 L493 | M415-L419 VanDerWaalsContact O-CB 3.22Å; M415-L419 WeakPolarHBondContact O-CB 3.25Å; M415-L419 WeakPolarHBondContact O-CD1 3.08Å; M415-L419 WeakPolarHBondContact O-CG 3.33Å; M415-L419 PolarHBondContact O-N 2.82Å; E416-L419 PolarHBondContact O-N 3.16Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.04Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.93Å; L419-L422 WeakPolarHBondContact O-CB 3.22Å; L419-L422 PolarHBondContact O-N 2.85Å; L419-L422 VanDerWaalsContact O-N 3.15Å; L419-F423 VanDerWaalsContact O-CD2 3.25Å; L419-F423 WeakPolarHBondContact O-CD2 3.47Å; L419-F423 PolarHBondContact O-N 3.17Å; L419-V444 HydrophobicContact CB-CB 4.34Å; L419-V444 HydrophobicContact CB-CG1 3.93Å; L419-V444 HydrophobicContact CB-CG2 4.26Å; L419-V444 HydrophobicContact CD1-CG1 3.94Å; L419-M446 HydrophobicContact CD1-CE 4.11Å; L419-M461 HydrophobicContact CD1-CE 3.74Å; L419-M461 HydrophobicContact CD1-SD 4.14Å; L419-M461 HydrophobicContact CD2-CE 3.77Å; L419-M461 HydrophobicContact CG-CE 3.93Å; L419-Y463 HydrophobicContact CD1-CD1 3.47Å; L419-Y463 VanDerWaalsContact CD1-CD1 3.47Å; L419-Y463 HydrophobicContact CD1-CD2 4.15Å; L419-Y463 HydrophobicContact CD1-CE1 3.7Å; L419-Y463 HydrophobicContact CD1-CE2 4.35Å; L419-Y463 HydrophobicContact CD1-CG 3.73Å; L419-Y463 HydrophobicContact CD2-CD1 4.49Å; L419-Y463 HydrophobicContact CD2-CE1 3.86Å; L419-Y463 HydrophobicContact CD2-CE2 4.32Å; L419-Y463 HydrophobicContact CG-CE1 4.46Å; L419-L493 HydrophobicContact CD2-CD2 4.16Å; L419-L493 HydrophobicContact CG-CD2 4.15Å |
| 420 | A | 83.9 | Confident | 77.8 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | E416 Q417 L422 F423 V424 V444 | E416-A420 WeakPolarHBondContact O-CB 3.49Å; E416-A420 PolarHBondContact O-N 3.09Å; Q417-A420 PolarHBondContact O-N 2.93Å; Q417-A420 VanDerWaalsContact O-N 3.09Å; A420-L422 PolarHBondContact O-N 2.88Å; A420-F423 PolarHBondContact O-N 2.99Å; A420-V424 WeakPolarHBondContact O-CG2 3.41Å; A420-V424 PolarHBondContact O-N 2.92Å; A420-V444 HydrophobicContact CB-CG2 4.27Å |
| 421 | D | 82.4 | Confident | 76.4 | Confident | 79 Ų | 79 | 50 Ų | 50 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 172.7 | -72 | -33.2 | 0 | 0 | 0 | 111.6 | Q417 L419 F423 V424 L425 T492 | Q417-D421 PolarHBondContact O-N 2.84Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.93Å; D421-F423 PolarHBondContact O-N 3.36Å; D421-V424 PolarHBondContact O-N 2.95Å; D421-L425 WeakPolarHBondContact O-CG 3.33Å; D421-L425 PolarHBondContact O-N 2.9Å; D421-T492 HydrophobicContact CB-CG2 4.2Å |
| 422 | L | 86 | Confident | 74.9 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.3 | -86 | 176.8 | 0 | 0 | 0 | 113.8 | R418 L419 A420 V424 L425 A426 L481 V484 M489 T492 L493 | R418-L422 PolarHBondContact O-N 2.84Å; R418-L422 VanDerWaalsContact O-N 3.11Å; L419-L422 WeakPolarHBondContact O-CB 3.22Å; L419-L422 PolarHBondContact O-N 2.85Å; L419-L422 VanDerWaalsContact O-N 3.15Å; A420-L422 PolarHBondContact O-N 2.88Å; L422-V424 VanDerWaalsContact C-N 3.29Å; L422-V424 PolarHBondContact O-N 2.71Å; L422-L425 HydrophobicContact CD2-CD1 4.4Å; L422-L425 PolarHBondContact O-N 3.36Å; L422-A426 VanDerWaalsContact O-CB 3.29Å; L422-A426 WeakPolarHBondContact O-CB 3.45Å; L422-A426 PolarHBondContact O-N 2.88Å; L422-L481 HydrophobicContact CB-CD2 4Å; L422-V484 HydrophobicContact CD2-CG1 4.12Å; L422-M489 HydrophobicContact CD1-CG 3.67Å; L422-M489 HydrophobicContact CD2-CG 4.47Å; L422-T492 HydrophobicContact CD2-CG2 4.12Å; L422-T492 HydrophobicContact CG-CG2 3.78Å; L422-L493 HydrophobicContact CD1-CD1 4.22Å; L422-L493 HydrophobicContact CD1-CD2 3.69Å; L422-L493 HydrophobicContact CD1-CG 3.63Å |
| 423 | F | 85.4 | Confident | 73 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 175.2 | -83.5 | -73.7 | 0 | 0 | 0 | 112.1 | L419 A420 D421 G427 F442 V444 Y463 V465 A477 V480 L481 | L419-F423 VanDerWaalsContact O-CD2 3.25Å; L419-F423 WeakPolarHBondContact O-CD2 3.47Å; L419-F423 PolarHBondContact O-N 3.17Å; A420-F423 PolarHBondContact O-N 2.99Å; D421-F423 PolarHBondContact O-N 3.36Å; F423-G427 PolarHBondContact O-N 3.03Å; F423-F442 HydrophobicContact CB-CB 3.85Å; F423-F442 HydrophobicContact CB-CD1 3.96Å; F423-F442 HydrophobicContact CB-CD2 3.76Å; F423-F442 HydrophobicContact CB-CE1 4.44Å; F423-F442 HydrophobicContact CB-CE2 4.26Å; F423-F442 HydrophobicContact CB-CG 3.59Å; F423-F442 HydrophobicContact CD1-CD1 4.27Å; F423-F442 HydrophobicContact CD1-CE1 4.32Å; F423-F442 HydrophobicContact CG-CD1 4.26Å; F423-F442 HydrophobicContact CG-CG 4.34Å; F423-F442 WeakPolarHBondContact O-CE2 3.32Å; F423-V444 HydrophobicContact CD2-CG2 3.73Å; F423-V444 HydrophobicContact CE2-CG2 4.06Å; F423-Y463 AromaticContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CZ-CE2 4.14Å; F423-V465 HydrophobicContact CD1-CG1 4.43Å; F423-V465 HydrophobicContact CD2-CG1 4.3Å; F423-V465 HydrophobicContact CE1-CG1 4.19Å; F423-V465 HydrophobicContact CE1-CG2 4.48Å; F423-V465 HydrophobicContact CE2-CG1 4.07Å; F423-V465 HydrophobicContact CE2-CG2 3.62Å; F423-V465 HydrophobicContact CG-CG1 4.5Å; F423-V465 HydrophobicContact CZ-CB 4.4Å; F423-V465 HydrophobicContact CZ-CG1 4.02Å; F423-V465 HydrophobicContact CZ-CG2 3.6Å; F423-A477 HydrophobicContact CE1-CB 4.12Å; F423-A477 HydrophobicContact CZ-CB 4.17Å; F423-V480 HydrophobicContact CD1-CG1 3.85Å; F423-V480 HydrophobicContact CE1-CB 4.39Å; F423-V480 HydrophobicContact CE1-CG1 4.18Å; F423-L481 HydrophobicContact CD1-CD2 4.26Å; F423-L481 HydrophobicContact CD1-CG 4.27Å; F423-L481 HydrophobicContact CD2-CD2 4.34Å; F423-L481 HydrophobicContact CE1-CD1 4.07Å; F423-L481 HydrophobicContact CE1-CD2 4.12Å; F423-L481 HydrophobicContact CE1-CG 3.65Å; F423-L481 HydrophobicContact CE2-CD1 3.76Å; F423-L481 HydrophobicContact CE2-CD2 4.2Å; F423-L481 HydrophobicContact CE2-CG 4.08Å; F423-L481 HydrophobicContact CG-CD2 4.35Å; F423-L481 HydrophobicContact CZ-CD1 3.39Å; F423-L481 HydrophobicContact CZ-CD2 4.07Å; F423-L481 HydrophobicContact CZ-CG 3.53Å |
| 424 | V | 83 | Confident | 71 | Confident | 33 Ų | 33 | 77.9 Ų | 77.9 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.7 | -36 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | A420 D421 L422 Q428 F442 | A420-V424 WeakPolarHBondContact O-CG2 3.41Å; A420-V424 PolarHBondContact O-N 2.92Å; D421-V424 PolarHBondContact O-N 2.95Å; L422-V424 VanDerWaalsContact C-N 3.29Å; L422-V424 PolarHBondContact O-N 2.71Å; V424-Q428 WeakPolarHBondContact O-CG 3.45Å; V424-Q428 PolarHBondContact O-NE2 2.81Å; V424-F442 HydrophobicContact CG2-CD2 4.21Å |
| 425 | L | 83.4 | Confident | 68.6 | Low | 72 Ų | 72 | 87.1 Ų | 87.1 | 38% | 0.377 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69 | -48.3 | 173.2 | -69.7 | 168.7 | 0 | 0 | 0 | 111.5 | D421 L422 G427 Q428 Q429 T492 | D421-L425 WeakPolarHBondContact O-CG 3.33Å; D421-L425 PolarHBondContact O-N 2.9Å; L422-L425 HydrophobicContact CD2-CD1 4.4Å; L422-L425 PolarHBondContact O-N 3.36Å; L425-G427 VanDerWaalsContact C-N 3.35Å; L425-G427 PolarHBondContact O-N 2.82Å; L425-Q428 PolarHBondContact O-N 3.46Å; L425-Q428 VanDerWaalsContact O-N 3.14Å; L425-Q429 PolarHBondContact O-N 3.39Å; L425-T492 HydrophobicContact CD1-CG2 4.48Å |
| 426 | A | 80.8 | Confident | 66.2 | Low | 1 Ų | 1 | 90.8 Ų | 90.8 | 1% | 0.008 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L422 Q428 Q429 G430 V480 V484 | L422-A426 VanDerWaalsContact O-CB 3.29Å; L422-A426 WeakPolarHBondContact O-CB 3.45Å; L422-A426 PolarHBondContact O-N 2.88Å; A426-Q428 PolarHBondContact O-N 2.96Å; A426-Q429 PolarHBondContact O-N 3.26Å; A426-Q429 VanDerWaalsContact O-N 3.07Å; A426-G430 PolarHBondContact O-N 2.83Å; A426-G430 VanDerWaalsContact O-N 3.15Å; A426-V480 HydrophobicContact CB-CG1 3.45Å; A426-V480 VanDerWaalsContact CB-CG1 3.45Å; A426-V484 HydrophobicContact CB-CG2 3.43Å; A426-V484 VanDerWaalsContact CB-CG2 3.43Å |
| 427 | G | 69.3 | Low | 63.4 | Low | 37 Ų | 37 | 95.4 Ų | 95.4 | 38% | 0.381 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.9 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | F423 L425 | F423-G427 PolarHBondContact O-N 3.03Å; L425-G427 VanDerWaalsContact C-N 3.35Å; L425-G427 PolarHBondContact O-N 2.82Å |
| 428 | Q | 61.5 | Low | 61.1 | Low | 135 Ų | 135 | 95.1 Ų | 95.1 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -82.1 | -30 | 175.7 | -70 | 172.2 | 72.1 | 0 | 0 | 112.9 | V424 L425 A426 | V424-Q428 WeakPolarHBondContact O-CG 3.45Å; V424-Q428 PolarHBondContact O-NE2 2.81Å; L425-Q428 PolarHBondContact O-N 3.46Å; L425-Q428 VanDerWaalsContact O-N 3.14Å; A426-Q428 PolarHBondContact O-N 2.96Å |
| 429 | Q | 55.1 | Low | 58.6 | Low | 115 Ų | 115 | 98.1 Ų | 98.1 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.6 | -30.5 | 177.5 | -69.1 | 177.1 | -36.1 | 0 | 0 | 112.4 | L425 A426 T431 | L425-Q429 PolarHBondContact O-N 3.39Å; A426-Q429 PolarHBondContact O-N 3.26Å; A426-Q429 VanDerWaalsContact O-N 3.07Å; Q429-T431 VanDerWaalsContact C-N 3.34Å; Q429-T431 PolarHBondContact O-N 2.83Å |
| 430 | G | 51.8 | Low | 57.2 | Low | 55 Ų | 55 | 100.3 Ų | 100.3 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -67.9 | -16.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | A426 | A426-G430 PolarHBondContact O-N 2.83Å; A426-G430 VanDerWaalsContact O-N 3.15Å |
| 431 | T | 44.7 | Very low | 56.3 | Low | 104 Ų | 104 | 100.6 Ų | 100.6 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -142.6 | 124.4 | -179.8 | 59 | 0 | 0 | 0 | 0 | 113.4 | Q429 F433 | Q429-T431 VanDerWaalsContact C-N 3.34Å; Q429-T431 PolarHBondContact O-N 2.83Å; T431-F433 PolarHBondContact O-N 2.78Å |
| 432 | R | 49.3 | Very low | 56 | Low | 240 Ų | 240 | 98.1 Ų | 98.1 | 91% | 0.906 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -64.9 | 116.7 | 173.2 | -79.6 | -171.7 | 176.7 | -172.9 | 0 | 111.6 | ||
| 433 | F | 41.4 | Very low | 55.5 | Low | 198 Ų | 198 | 101.2 Ų | 101.2 | 87% | 0.868 | 54% | 0.537 | S | S | * | . | trans | 58.5 | 95.2 | 163.6 | -60.7 | -69.2 | 0 | 0 | 0 | 118.5 | T431 | T431-F433 PolarHBondContact O-N 2.78Š| ||
| 434 | R | 30.4 | Very low | 55.4 | Low | 224 Ų | 224 | 102 Ų | 102 | 85% | 0.845 | 54% | 0.541 | S | S | * | . | trans | -132.9 | 119.8 | 144.1 | -173.8 | 175.1 | 179.5 | 177.7 | -1.7 | 109.8 | A436 | R434-A436 PolarHBondContact O-N 3.19Š| ||
| 435 | R | 32.6 | Very low | 55.4 | Low | 257 Ų | 257 | 101.9 Ų | 101.9 | 97% | 0.97 | 54% | 0.539 | S | S | * | . | trans | -77.5 | 99.2 | 172 | -75.6 | -171.1 | 178.5 | -167.3 | -0.1 | 110 | ||||
| 436 | A | 32.2 | Very low | 55.5 | Low | 77 Ų | 77 | 99 Ų | 99 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | trans | -162 | 128.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | R434 | R434-A436 PolarHBondContact O-N 3.19Š| ||
| 437 | T | 27.8 | Very low | 55.6 | Low | 141 Ų | 141 | 100.5 Ų | 100.5 | 87% | 0.865 | 53% | 0.533 | S | S | * | . | trans | -91.5 | 120.7 | 178.2 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 438 | T | 30.5 | Very low | 56.2 | Low | 124 Ų | 124 | 100.3 Ų | 100.3 | 76% | 0.761 | 53% | 0.526 | S | S | * | . | trans | -138.2 | 117.5 | 159.6 | 49.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 439 | V | 32.9 | Very low | 57.3 | Low | 144 Ų | 144 | 94.8 Ų | 94.8 | 87% | 0.873 | 50% | 0.5 | S | S | * | . | trans | -76.2 | 139.5 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 440 | G | 56.4 | Low | 58.8 | Low | 48 Ų | 48 | 94.9 Ų | 94.9 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | trans | 68.6 | 55.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117 | F442 | G440-F442 VanDerWaalsContact C-N 3.27Š| ||
| 441 | S | 64.9 | Low | 60.3 | Low | 28 Ų | 28 | 96.4 Ų | 96.4 | 20% | 0.196 | 48% | 0.484 | C | S | . | . | trans | -78.9 | -5.7 | 170 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | H467 N468 | S441-H467 WeakPolarHBondContact CB-NE2 3.44Å; S441-H467 CarbonylContact O-C 3.5Å; S441-H467 WeakPolarHBondContact O-CA 3.41Å; S441-H467 PolarHBondContact O-CD2 2.81Å; S441-H467 VanDerWaalsContact O-CD2 3.32Å; S441-H467 PolarHBondContact OG-CD2 2.95Å; S441-H467 VanDerWaalsContact OG-CD2 3.24Å; S441-H467 PolarHBondContact OG-NE2 2.6Å; S441-N468 WeakPolarHBondContact CB-OD1 3.38Å; S441-N468 PolarHBondContact O-N 2.95Å | ||
| 442 | F | 76 | Confident | 62.2 | Low | 26 Ų | 26 | 94 Ų | 94 | 11% | 0.114 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.1 | -177.7 | -63.9 | -85.7 | 0 | 0 | 0 | 111.5 | F423 V424 G440 V465 Q466 H467 L472 | F423-F442 HydrophobicContact CB-CB 3.85Å; F423-F442 HydrophobicContact CB-CD1 3.96Å; F423-F442 HydrophobicContact CB-CD2 3.76Å; F423-F442 HydrophobicContact CB-CE1 4.44Å; F423-F442 HydrophobicContact CB-CE2 4.26Å; F423-F442 HydrophobicContact CB-CG 3.59Å; F423-F442 HydrophobicContact CD1-CD1 4.27Å; F423-F442 HydrophobicContact CD1-CE1 4.32Å; F423-F442 HydrophobicContact CG-CD1 4.26Å; F423-F442 HydrophobicContact CG-CG 4.34Å; F423-F442 WeakPolarHBondContact O-CE2 3.32Å; V424-F442 HydrophobicContact CG2-CD2 4.21Å; G440-F442 VanDerWaalsContact C-N 3.27Å; F442-V465 HydrophobicContact CD1-CG1 4.28Å; F442-Q466 WeakPolarHBondContact CA-O 3.4Å; F442-H467 HydrophobicContact CD1-CB 3.92Å; F442-H467 AromaticContact CD1-CD2 3.62Å; F442-H467 HydrophobicContact CE1-CB 3.91Å; F442-H467 AromaticContact CE1-CD2 3.38Å; F442-H467 WeakPolarHBondContact CE1-CD2 3.44Å; F442-H467 AromaticContact CE1-CG 3.76Å; F442-H467 AromaticContact CE2-CD2 3.86Å; F442-H467 AromaticContact CG-CD2 3.96Å; F442-H467 AromaticContact CZ-CD2 3.51Å; F442-H467 AromaticContact CZ-NE2 3.89Å; F442-L472 HydrophobicContact CE1-CD2 4.16Å |
| 443 | T | 76.7 | Confident | 63.5 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.1 | 167.9 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | Q466 | T443-Q466 PolarHBondContact N-O 2.76Å; T443-Q466 PolarHBondContact O-N 2.93Å; T443-Q466 WeakPolarHBondContact OG1-CB 3.37Å; T443-Q466 PolarHBondContact OG1-O 2.86Å; T443-Q466 PolarHBondContact OG1-OE1 2.97Å |
| 444 | V | 82.9 | Confident | 65.2 | Low | 16 Ų | 16 | 81.5 Ų | 81.5 | 10% | 0.097 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.2 | -179.2 | -176 | 0 | 0 | 0 | 0 | 108.5 | L419 A420 F423 Y463 Y464 V465 | L419-V444 HydrophobicContact CB-CB 4.34Å; L419-V444 HydrophobicContact CB-CG1 3.93Å; L419-V444 HydrophobicContact CB-CG2 4.26Å; L419-V444 HydrophobicContact CD1-CG1 3.94Å; A420-V444 HydrophobicContact CB-CG2 4.27Å; F423-V444 HydrophobicContact CD2-CG2 3.73Å; F423-V444 HydrophobicContact CE2-CG2 4.06Å; V444-Y463 HydrophobicContact CG1-CD2 3.66Å; V444-Y463 HydrophobicContact CG1-CE2 4.46Å; V444-Y463 HydrophobicContact CG1-CG 4.03Å; V444-Y464 WeakPolarHBondContact CA-O 3.33Å; V444-V465 HydrophobicContact CG2-CG1 4.42Å; V444-V465 HydrophobicContact CG2-CG2 4.47Å |
| 445 | Q | 83.9 | Confident | 67.1 | Low | 32 Ų | 32 | 78.4 Ų | 78.4 | 15% | 0.15 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.1 | 172.8 | 179.9 | 160.6 | 12.9 | 0 | 0 | 111.5 | N380 L381 E416 V447 Y463 Y464 | N380-Q445 PolarHBondContact OD1-NE2 2.85Å; L381-Q445 HydrophobicContact CD1-CB 3.89Å; L381-Q445 HydrophobicContact CG-CB 4.5Å; E416-Q445 WeakPolarHBondContact OE1-CA 3.28Å; Q445-V447 PolarHBondContact O-N 2.91Å; Q445-Y463 CarbonylContact O-C 3.48Å; Q445-Y463 VanDerWaalsContact O-CA 3.24Å; Q445-Y463 WeakPolarHBondContact O-CA 3.19Å; Q445-Y463 WeakPolarHBondContact O-CB 3.48Å; Q445-Y464 PolarHBondContact N-O 3.46Å; Q445-Y464 PolarHBondContact O-N 3.06Å |
| 446 | M | 83.6 | Confident | 69.3 | Low | 11 Ų | 11 | 70.5 Ų | 70.5 | 5% | 0.054 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.5 | 175.5 | -160.6 | 59.1 | 59.6 | 0 | 0 | 110.3 | A412 M415 E416 L419 M461 | A412-M446 HydrophobicContact CB-CB 4.06Å; A412-M446 HydrophobicContact CB-CG 4.18Å; M415-M446 HydrophobicContact CB-CE 3.8Å; E416-M446 HydrophobicContact CG-CB 4.11Å; E416-M446 WeakPolarHBondContact OE1-CB 3.26Å; E416-M446 PolarHBondContact OE1-N 3.42Å; L419-M446 HydrophobicContact CD1-CE 4.11Å; M446-M461 HydrophobicContact CE-CB 4.34Å; M446-M461 HydrophobicContact CE-SD 3.79Å; M446-M461 HydrophobicContact SD-CB 3.83Å; M446-M461 HydrophobicContact SD-SD 4.49Å |
| 447 | V | 83.5 | Confident | 71.6 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -45.3 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | T383 W391 Q445 T462 | T383-V447 HydrophobicContact CG2-CG2 3.94Å; W391-V447 HydrophobicContact CD2-CG1 4.08Å; W391-V447 HydrophobicContact CD2-CG2 4.18Å; W391-V447 HydrophobicContact CE3-CG1 3.97Å; W391-V447 HydrophobicContact CG-CG2 4.32Å; W391-V447 HydrophobicContact CH2-CG1 3.66Å; W391-V447 HydrophobicContact CZ2-CG1 3.77Å; W391-V447 HydrophobicContact CZ3-CG1 3.76Å; Q445-V447 PolarHBondContact O-N 2.91Å; V447-T462 WeakPolarHBondContact CA-O 3.46Å; V447-T462 HydrophobicContact CB-CG2 4.42Å; V447-T462 WeakPolarHBondContact CB-O 3.49Å; V447-T462 PolarHBondContact N-O 3.45Å |
| 448 | S | 82.3 | Confident | 74.4 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 140.6 | 175.3 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | T462 | S448-T462 PolarHBondContact N-O 3.47Å; S448-T462 PolarHBondContact O-N 2.87Å |
| 449 | I | 85.4 | Confident | 77.1 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.2 | 156.6 | -174.6 | 168.3 | 0 | 0 | 0 | 110 | I396 L404 Y408 F411 A459 E460 M461 | I396-I449 HydrophobicContact CD1-CD1 4.28Å; L404-I449 HydrophobicContact CD2-CB 4.33Å; L404-I449 HydrophobicContact CD2-CD1 3.63Å; L404-I449 HydrophobicContact CD2-CG1 3.68Å; L404-I449 HydrophobicContact CD2-CG2 3.77Å; Y408-I449 HydrophobicContact CD2-CG2 3.98Å; Y408-I449 HydrophobicContact CE2-CG2 3.5Å; F411-I449 HydrophobicContact CD1-CD1 4.31Å; F411-I449 HydrophobicContact CE1-CD1 3.45Å; F411-I449 VanDerWaalsContact CE1-CD1 3.45Å; F411-I449 HydrophobicContact CZ-CD1 4.08Å; I449-A459 HydrophobicContact CD1-CB 3.83Å; I449-A459 HydrophobicContact CG1-CB 4.02Å; I449-E460 WeakPolarHBondContact CA-O 3.45Å; I449-M461 HydrophobicContact CB-CB 4.11Å; I449-M461 HydrophobicContact CD1-CB 4Å; I449-M461 HydrophobicContact CG1-CB 3.98Å |
| 450 | R | 84.6 | Confident | 79.8 | Confident | 118 Ų | 118 | 53.4 Ų | 53.4 | 45% | 0.445 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 145.3 | -179.9 | 69.2 | -174.4 | 103.9 | 122.4 | 11.6 | 111.2 | A459 E460 T462 | R450-A459 CarbonylContact O-C 3.53Å; R450-A459 WeakPolarHBondContact O-CA 3.4Å; R450-E460 WeakPolarHBondContact CD-OE2 3.33Å; R450-E460 HydrophobicContact CG-CB 3.96Å; R450-E460 HydrophobicContact CG-CG 4.49Å; R450-E460 IonicContact CZ-OE1 3.11Å; R450-E460 IonicContact CZ-OE2 2.71Å; R450-E460 PolarHBondContact N-O 2.86Å; R450-E460 IonicContact NE-OE1 3.47Å; R450-E460 IonicContact NE-OE2 3.41Å; R450-E460 PolarHBondContact NE-OE2 3.2Å; R450-E460 IonicContact NH1-OE1 2.67Å; R450-E460 PolarHBondContact NH1-OE1 3.24Å; R450-E460 IonicContact NH1-OE2 2.92Å; R450-E460 PolarHBondContact NH1-OE2 3.39Å; R450-E460 IonicContact NH2-OE1 3.78Å; R450-E460 PolarHBondContact NH2-OE1 2.95Å; R450-E460 IonicContact NH2-OE2 3.44Å; R450-E460 PolarHBondContact O-N 3Å; R450-T462 PolarHBondContact NH2-OG1 2.95Å; R450-T462 VanDerWaalsContact NH2-OG1 3.07Å |
| 451 | R | 84.4 | Confident | 81.3 | Confident | 86 Ų | 86 | 51.1 Ų | 51.1 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136.3 | 175 | 178.2 | 162.5 | -60.8 | -57.4 | 13.2 | 110.8 | V399 N401 L404 N457 P458 | V399-R451 PolarHBondContact O-NH2 3.38Å; N401-R451 VanDerWaalsContact OD1-CZ 3.25Å; N401-R451 PolarHBondContact OD1-NE 2.8Å; N401-R451 PolarHBondContact OD1-NH2 3.18Å; L404-R451 HydrophobicContact CD1-CB 4.26Å; R451-N457 VanDerWaalsContact NH1-C 3.27Å; R451-N457 PolarHBondContact NH1-O 3.18Å; R451-P458 PolarHBondContact NH1-O 2.93Å |
| 452 | V | 83.5 | Confident | 82.4 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | trans | -105.8 | 147.5 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | G454 P458 E460 | V452-G454 PolarHBondContact O-N 3.2Å; V452-P458 HydrophobicContact CB-CG 4.24Å; V452-P458 PolarHBondContact N-O 3.36Å; V452-E460 HydrophobicContact CG2-CB 3.54Å | ||
| 453 | S | 78.2 | Confident | 83 | Confident | 129 Ų | 129 | 48.6 Ų | 48.6 | 90% | 0.902 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -75.8 | 111.8 | 173.4 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 454 | G | 76.3 | Confident | 83.4 | Confident | 48 Ų | 48 | 46.1 Ų | 46.1 | 50% | 0.495 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -171.7 | 169.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V452 P458 | V452-G454 PolarHBondContact O-N 3.2Å; G454-P458 WeakPolarHBondContact O-CD 3.22Å |
| 455 | L | 71.5 | Confident | 83.5 | Confident | 158 Ų | 158 | 45.4 Ų | 45.4 | 83% | 0.827 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 148 | 170 | -169.3 | 66.5 | 0 | 0 | 0 | 109.5 | ||
| 456 | K | 78.3 | Confident | 83.5 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 41.2 | -175.9 | -70 | 165.8 | 131.9 | -88 | 0 | 114.3 | Q397 D398 P458 | Q397-K456 HydrophobicContact CB-CB 4.18Å; Q397-K456 HydrophobicContact CG-CB 4.38Å; D398-K456 PolarHBondContact N-O 2.78Å; D398-K456 VanDerWaalsContact OD1-CB 3.29Å; D398-K456 WeakPolarHBondContact OD1-CB 3.26Å; D398-K456 IonicContact OD1-NZ 2.65Å; D398-K456 IonicContact OD2-NZ 2.81Å; D398-K456 PolarHBondContact OD2-NZ 2.93Å; K456-P458 VanDerWaalsContact O-N 3.12Å |
| 457 | N | 79.8 | Confident | 83.4 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | trans | 40 | 55.4 | 168.6 | -68.1 | -23.1 | 0 | 0 | 0 | 115 | R451 | R451-N457 VanDerWaalsContact NH1-C 3.27Å; R451-N457 PolarHBondContact NH1-O 3.18Å | ||
| 458 | P | 86.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | trans | -68.8 | 147.5 | -172.2 | 27 | -32.1 | 0 | 0 | 0 | 112.1 | V395 I396 R451 V452 G454 K456 | V395-P458 HydrophobicContact CG1-CB 3.87Å; I396-P458 CarbonylContact O-C 3.48Å; I396-P458 VanDerWaalsContact O-CA 3.26Å; I396-P458 WeakPolarHBondContact O-CA 3.25Å; R451-P458 PolarHBondContact NH1-O 2.93Å; V452-P458 HydrophobicContact CB-CG 4.24Å; V452-P458 PolarHBondContact N-O 3.36Å; G454-P458 WeakPolarHBondContact O-CD 3.22Å; K456-P458 VanDerWaalsContact O-N 3.12Å | ||
| 459 | A | 87.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | V395 I396 V399 I449 R450 | V395-A459 WeakPolarHBondContact CA-O 3.39Å; I396-A459 HydrophobicContact CG1-CB 4.27Å; I396-A459 WeakPolarHBondContact CG1-O 3.46Å; I396-A459 PolarHBondContact N-O 3.47Å; I396-A459 PolarHBondContact O-N 2.81Å; V399-A459 HydrophobicContact CB-CB 4.18Å; V399-A459 HydrophobicContact CG1-CB 4.39Å; V399-A459 HydrophobicContact CG2-CB 4.13Å; I449-A459 HydrophobicContact CD1-CB 3.83Å; I449-A459 HydrophobicContact CG1-CB 4.02Å; R450-A459 CarbonylContact O-C 3.53Å; R450-A459 WeakPolarHBondContact O-CA 3.4Å |
| 460 | E | 89.1 | Confident | 82 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.7 | 172.6 | 179.8 | -164.9 | 166.5 | 0 | 0 | 107.9 | V393 V395 I449 R450 V452 | V393-E460 HydrophobicContact CG1-CG 3.33Å; V395-E460 HydrophobicContact CG2-CB 4.42Å; I449-E460 WeakPolarHBondContact CA-O 3.45Å; R450-E460 WeakPolarHBondContact CD-OE2 3.33Å; R450-E460 HydrophobicContact CG-CB 3.96Å; R450-E460 HydrophobicContact CG-CG 4.49Å; R450-E460 IonicContact CZ-OE1 3.11Å; R450-E460 IonicContact CZ-OE2 2.71Å; R450-E460 PolarHBondContact N-O 2.86Å; R450-E460 IonicContact NE-OE1 3.47Å; R450-E460 IonicContact NE-OE2 3.41Å; R450-E460 PolarHBondContact NE-OE2 3.2Å; R450-E460 IonicContact NH1-OE1 2.67Å; R450-E460 PolarHBondContact NH1-OE1 3.24Å; R450-E460 IonicContact NH1-OE2 2.92Å; R450-E460 PolarHBondContact NH1-OE2 3.39Å; R450-E460 IonicContact NH2-OE1 3.78Å; R450-E460 PolarHBondContact NH2-OE1 2.95Å; R450-E460 IonicContact NH2-OE2 3.44Å; R450-E460 PolarHBondContact O-N 3Å; V452-E460 HydrophobicContact CG2-CB 3.54Å |
| 461 | M | 88.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.6 | 168.8 | 71.3 | 174.7 | -179.1 | 0 | 0 | 110.4 | V393 T394 I396 M415 L419 M446 I449 Y463 L493 | V393-M461 WeakPolarHBondContact CA-O 3.27Å; T394-M461 PolarHBondContact N-O 2.81Å; T394-M461 PolarHBondContact O-N 3.23Å; T394-M461 WeakPolarHBondContact OG1-CE 3.45Å; T394-M461 WeakPolarHBondContact OG1-CG 3.4Å; I396-M461 HydrophobicContact CD1-SD 4.5Å; M415-M461 HydrophobicContact CB-SD 4.3Å; M415-M461 HydrophobicContact CE-CE 3.52Å; M415-M461 HydrophobicContact CE-SD 3.5Å; M415-M461 WeakPolarHBondContact CE-SD 3.24Å; L419-M461 HydrophobicContact CD1-CE 3.74Å; L419-M461 HydrophobicContact CD1-SD 4.14Å; L419-M461 HydrophobicContact CD2-CE 3.77Å; L419-M461 HydrophobicContact CG-CE 3.93Å; M446-M461 HydrophobicContact CE-CB 4.34Å; M446-M461 HydrophobicContact CE-SD 3.79Å; M446-M461 HydrophobicContact SD-CB 3.83Å; M446-M461 HydrophobicContact SD-SD 4.49Å; I449-M461 HydrophobicContact CB-CB 4.11Å; I449-M461 HydrophobicContact CD1-CB 4Å; I449-M461 HydrophobicContact CG1-CB 3.98Å; M461-Y463 HydrophobicContact CE-CE1 4.17Å; M461-Y463 HydrophobicContact CG-CD1 4.24Å; M461-Y463 HydrophobicContact CG-CE1 4.38Å; M461-L493 HydrophobicContact CE-CD1 3.93Å; M461-L493 HydrophobicContact CE-CD2 4.35Å |
| 462 | T | 87.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.3 | 176.8 | -49 | 0 | 0 | 0 | 0 | 108.1 | W391 V392 V447 S448 R450 V504 | W391-T462 HydrophobicContact CB-CG2 4.05Å; W391-T462 HydrophobicContact CD2-CG2 4.36Å; W391-T462 HydrophobicContact CE3-CG2 3.87Å; W391-T462 HydrophobicContact CG-CG2 4.46Å; V392-T462 VanDerWaalsContact O-CA 3.31Å; V392-T462 WeakPolarHBondContact O-CA 3.27Å; V447-T462 WeakPolarHBondContact CA-O 3.46Å; V447-T462 HydrophobicContact CB-CG2 4.42Å; V447-T462 WeakPolarHBondContact CB-O 3.49Å; V447-T462 PolarHBondContact N-O 3.45Å; S448-T462 PolarHBondContact N-O 3.47Å; S448-T462 PolarHBondContact O-N 2.87Å; R450-T462 PolarHBondContact NH2-OG1 2.95Å; R450-T462 VanDerWaalsContact NH2-OG1 3.07Å; T462-V504 HydrophobicContact CG2-CG2 3.62Å |
| 463 | Y | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.6 | -178.7 | 55.5 | -92.9 | 0 | 0 | 0 | 111.4 | W391 V392 T394 L419 F423 V444 Q445 M461 V465 L481 | W391-Y463 WeakPolarHBondContact CA-O 3.24Å; V392-Y463 HydrophobicContact CB-CD2 4.31Å; V392-Y463 HydrophobicContact CB-CE2 3.68Å; V392-Y463 HydrophobicContact CG1-CE2 4.12Å; V392-Y463 VanDerWaalsContact CG1-OH 3.3Å; V392-Y463 WeakPolarHBondContact CG1-OH 3.34Å; V392-Y463 HydrophobicContact CG2-CE2 4.28Å; V392-Y463 PolarHBondContact N-O 3.3Å; V392-Y463 PolarHBondContact O-N 2.84Å; T394-Y463 HydrophobicContact CG2-CE1 3.66Å; T394-Y463 WeakPolarHBondContact CG2-OH 3.48Å; L419-Y463 HydrophobicContact CD1-CD1 3.47Å; L419-Y463 VanDerWaalsContact CD1-CD1 3.47Å; L419-Y463 HydrophobicContact CD1-CD2 4.15Å; L419-Y463 HydrophobicContact CD1-CE1 3.7Å; L419-Y463 HydrophobicContact CD1-CE2 4.35Å; L419-Y463 HydrophobicContact CD1-CG 3.73Å; L419-Y463 HydrophobicContact CD2-CD1 4.49Å; L419-Y463 HydrophobicContact CD2-CE1 3.86Å; L419-Y463 HydrophobicContact CD2-CE2 4.32Å; L419-Y463 HydrophobicContact CG-CE1 4.46Å; F423-Y463 AromaticContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CZ-CE2 4.14Å; V444-Y463 HydrophobicContact CG1-CD2 3.66Å; V444-Y463 HydrophobicContact CG1-CE2 4.46Å; V444-Y463 HydrophobicContact CG1-CG 4.03Å; Q445-Y463 CarbonylContact O-C 3.48Å; Q445-Y463 VanDerWaalsContact O-CA 3.24Å; Q445-Y463 WeakPolarHBondContact O-CA 3.19Å; Q445-Y463 WeakPolarHBondContact O-CB 3.48Å; M461-Y463 HydrophobicContact CE-CE1 4.17Å; M461-Y463 HydrophobicContact CG-CD1 4.24Å; M461-Y463 HydrophobicContact CG-CE1 4.38Å; Y463-V465 HydrophobicContact CD2-CG2 3.6Å; Y463-V465 HydrophobicContact CE2-CG2 3.62Å; Y463-L481 HydrophobicContact CE2-CD1 4.49Å; Y463-L481 WeakPolarHBondContact OH-CD1 3.26Å |
| 464 | Y | 85.5 | Confident | 82.1 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141 | 177.1 | 168.1 | -83.5 | 0 | 0 | 0 | 109.1 | L381 T387 F390 W391 V444 Q445 Q466 P471 | L381-Y464 HydrophobicContact CB-CD1 3.76Å; L381-Y464 HydrophobicContact CB-CE1 3.67Å; L381-Y464 HydrophobicContact CD1-CD1 3.64Å; L381-Y464 HydrophobicContact CD1-CE1 3.72Å; L381-Y464 HydrophobicContact CD2-CE1 4.16Å; L381-Y464 HydrophobicContact CG-CD1 4.22Å; L381-Y464 HydrophobicContact CG-CE1 4.03Å; T387-Y464 HydrophobicContact CG2-CE2 4.35Å; F390-Y464 HydrophobicContact CB-CD2 3.71Å; F390-Y464 HydrophobicContact CB-CE2 3.64Å; F390-Y464 HydrophobicContact CG-CE2 4.26Å; W391-Y464 AromaticContact CD1-CD2 3.98Å; V444-Y464 WeakPolarHBondContact CA-O 3.33Å; Q445-Y464 PolarHBondContact N-O 3.46Å; Q445-Y464 PolarHBondContact O-N 3.06Å; Y464-Q466 HydrophobicContact CE1-CB 3.96Å; Y464-P471 HydrophobicContact CE2-CB 4.34Å; Y464-P471 WeakPolarHBondContact OH-CB 3.36Å |
| 465 | V | 84.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132 | -174.4 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | F423 F442 V444 Y463 L472 A477 | F423-V465 HydrophobicContact CD1-CG1 4.43Å; F423-V465 HydrophobicContact CD2-CG1 4.3Å; F423-V465 HydrophobicContact CE1-CG1 4.19Å; F423-V465 HydrophobicContact CE1-CG2 4.48Å; F423-V465 HydrophobicContact CE2-CG1 4.07Å; F423-V465 HydrophobicContact CE2-CG2 3.62Å; F423-V465 HydrophobicContact CG-CG1 4.5Å; F423-V465 HydrophobicContact CZ-CB 4.4Å; F423-V465 HydrophobicContact CZ-CG1 4.02Å; F423-V465 HydrophobicContact CZ-CG2 3.6Å; F442-V465 HydrophobicContact CD1-CG1 4.28Å; V444-V465 HydrophobicContact CG2-CG1 4.42Å; V444-V465 HydrophobicContact CG2-CG2 4.47Å; Y463-V465 HydrophobicContact CD2-CG2 3.6Å; Y463-V465 HydrophobicContact CE2-CG2 3.62Å; V465-L472 HydrophobicContact CB-CB 4.39Å; V465-L472 HydrophobicContact CG1-CB 4.3Å; V465-L472 HydrophobicContact CG1-CD2 4.03Å; V465-L472 PolarHBondContact O-N 3.31Å; V465-A477 HydrophobicContact CB-CB 4.28Å; V465-A477 HydrophobicContact CG2-CB 4.21Å |
| 466 | Q | 84.4 | Confident | 83.1 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.3 | 176.6 | 172.5 | -176.9 | 80 | 0 | 0 | 109.4 | L381 F442 T443 Y464 G469 I470 | L381-Q466 HydrophobicContact CD1-CB 4.4Å; L381-Q466 VanDerWaalsContact CD2-OE1 3.3Å; F442-Q466 WeakPolarHBondContact CA-O 3.4Å; T443-Q466 PolarHBondContact N-O 2.76Å; T443-Q466 PolarHBondContact O-N 2.93Å; T443-Q466 WeakPolarHBondContact OG1-CB 3.37Å; T443-Q466 PolarHBondContact OG1-O 2.86Å; T443-Q466 PolarHBondContact OG1-OE1 2.97Å; Y464-Q466 HydrophobicContact CE1-CB 3.96Å; Q466-G469 VanDerWaalsContact CD-C 3.46Å; Q466-G469 VanDerWaalsContact CD-CA 3.44Å; Q466-G469 PolarHBondContact NE2-O 2.77Å; Q466-I470 CarbonylContact C-O 3.53Å; Q466-I470 WeakPolarHBondContact CA-O 3.28Å; Q466-I470 WeakPolarHBondContact CG-O 3.41Å |
| 467 | H | 81.1 | Confident | 83.5 | Confident | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.5 | -179.9 | 179.6 | -119.2 | 0 | 0 | 0 | 109.4 | S441 F442 G469 I470 | S441-H467 WeakPolarHBondContact CB-NE2 3.44Å; S441-H467 CarbonylContact O-C 3.5Å; S441-H467 WeakPolarHBondContact O-CA 3.41Å; S441-H467 PolarHBondContact O-CD2 2.81Å; S441-H467 VanDerWaalsContact O-CD2 3.32Å; S441-H467 PolarHBondContact OG-CD2 2.95Å; S441-H467 VanDerWaalsContact OG-CD2 3.24Å; S441-H467 PolarHBondContact OG-NE2 2.6Å; F442-H467 HydrophobicContact CD1-CB 3.92Å; F442-H467 AromaticContact CD1-CD2 3.62Å; F442-H467 HydrophobicContact CE1-CB 3.91Å; F442-H467 AromaticContact CE1-CD2 3.38Å; F442-H467 WeakPolarHBondContact CE1-CD2 3.44Å; F442-H467 AromaticContact CE1-CG 3.76Å; F442-H467 AromaticContact CE2-CD2 3.86Å; F442-H467 AromaticContact CG-CD2 3.96Å; F442-H467 AromaticContact CZ-CD2 3.51Å; F442-H467 AromaticContact CZ-NE2 3.89Å; H467-G469 VanDerWaalsContact C-N 3.25Å; H467-G469 PolarHBondContact O-N 2.91Å; H467-I470 PolarHBondContact N-O 3.05Å; H467-I470 WeakPolarHBondContact O-CB 3.25Å; H467-I470 PolarHBondContact O-N 2.8Å |
| 468 | N | 74.9 | Confident | 83.8 | Confident | 114 Ų | 114 | 32.9 Ų | 32.9 | 61% | 0.61 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 41.1 | -174.1 | -60.3 | -60.8 | 0 | 0 | 0 | 113.9 | S441 I470 | S441-N468 WeakPolarHBondContact CB-OD1 3.38Å; S441-N468 PolarHBondContact O-N 2.95Å; N468-I470 VanDerWaalsContact C-N 3.3Å; N468-I470 PolarHBondContact O-N 2.85Å |
| 469 | G | 69.3 | Low | 83.8 | Confident | 50 Ų | 50 | 40.2 Ų | 40.2 | 52% | 0.515 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -3.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q466 H467 | Q466-G469 VanDerWaalsContact CD-C 3.46Å; Q466-G469 VanDerWaalsContact CD-CA 3.44Å; Q466-G469 PolarHBondContact NE2-O 2.77Å; H467-G469 VanDerWaalsContact C-N 3.25Å; H467-G469 PolarHBondContact O-N 2.91Å |
| 470 | I | 77.8 | Confident | 83.7 | Confident | 119 Ų | 119 | 42.2 Ų | 42.2 | 61% | 0.61 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.7 | -179 | -53.9 | 177.4 | 0 | 0 | 0 | 110.4 | Q466 H467 N468 L472 | Q466-I470 CarbonylContact C-O 3.53Å; Q466-I470 WeakPolarHBondContact CA-O 3.28Å; Q466-I470 WeakPolarHBondContact CG-O 3.41Å; H467-I470 PolarHBondContact N-O 3.05Å; H467-I470 WeakPolarHBondContact O-CB 3.25Å; H467-I470 PolarHBondContact O-N 2.8Å; N468-I470 VanDerWaalsContact C-N 3.3Å; N468-I470 PolarHBondContact O-N 2.85Å; I470-L472 PolarHBondContact O-N 2.76Å |
| 471 | P | 81.3 | Confident | 83.5 | Confident | 55 Ų | 55 | 40.7 Ų | 40.7 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 132 | 174.3 | 18.8 | -30.7 | 0 | 0 | 0 | 112.3 | F390 Y464 | F390-P471 HydrophobicContact CD1-CB 3.6Å; F390-P471 HydrophobicContact CE1-CB 3.82Å; F390-P471 HydrophobicContact CE1-CG 4.26Å; F390-P471 HydrophobicContact CG-CB 4.04Å; F390-P471 HydrophobicContact CZ-CB 4.42Å; Y464-P471 HydrophobicContact CE2-CB 4.34Å; Y464-P471 WeakPolarHBondContact OH-CB 3.36Å |
| 472 | L | 83.6 | Confident | 83.4 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -97 | 120.6 | 173.6 | -174 | 61.4 | 0 | 0 | 0 | 108.9 | F442 V465 I470 G474 A477 | F442-L472 HydrophobicContact CE1-CD2 4.16Å; V465-L472 HydrophobicContact CB-CB 4.39Å; V465-L472 HydrophobicContact CG1-CB 4.3Å; V465-L472 HydrophobicContact CG1-CD2 4.03Å; V465-L472 PolarHBondContact O-N 3.31Å; I470-L472 PolarHBondContact O-N 2.76Å; L472-G474 PolarHBondContact O-N 3.03Å; L472-A477 HydrophobicContact CD2-CB 3.72Å; L472-A477 HydrophobicContact CG-CB 3.91Å |
| 473 | S | 84.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 138.7 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | D389 T475 S476 A477 | D389-S473 PolarHBondContact O-OG 3.35Å; S473-T475 PolarHBondContact O-N 3.41Å; S473-T475 VanDerWaalsContact O-N 3.08Å; S473-T475 PolarHBondContact OG-OG1 2.85Å; S473-T475 VanDerWaalsContact OG-OG1 3.06Å; S473-S476 WeakPolarHBondContact O-CA 3.22Å; S473-S476 WeakPolarHBondContact O-CB 3.3Å; S473-S476 PolarHBondContact O-N 3.44Å; S473-A477 PolarHBondContact O-N 2.97Å |
| 474 | G | 84.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.7 | -31.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D389 L472 A478 | D389-G474 PolarHBondContact O-N 3.26Å; L472-G474 PolarHBondContact O-N 3.03Å; G474-A478 WeakPolarHBondContact O-CB 3.48Å; G474-A478 PolarHBondContact O-N 3.19Å |
| 475 | T | 84.3 | Confident | 83.1 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 174 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | S473 K479 P503 | S473-T475 PolarHBondContact O-N 3.41Å; S473-T475 VanDerWaalsContact O-N 3.08Å; S473-T475 PolarHBondContact OG-OG1 2.85Å; S473-T475 VanDerWaalsContact OG-OG1 3.06Å; T475-K479 VanDerWaalsContact O-CB 3.27Å; T475-K479 WeakPolarHBondContact O-CB 3.25Å; T475-K479 PolarHBondContact O-N 3Å; T475-P503 HydrophobicContact CG2-CB 4.23Å; T475-P503 HydrophobicContact CG2-CG 4.22Å |
| 476 | S | 84.6 | Confident | 83.1 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.6 | -40.9 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | S473 K479 V480 | S473-S476 WeakPolarHBondContact O-CA 3.22Å; S473-S476 WeakPolarHBondContact O-CB 3.3Å; S473-S476 PolarHBondContact O-N 3.44Å; S476-K479 PolarHBondContact O-N 3.43Å; S476-V480 WeakPolarHBondContact O-CG2 3.4Å; S476-V480 PolarHBondContact O-N 3.28Å |
| 477 | A | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V392 F423 V465 L472 S473 V480 L481 | V392-A477 HydrophobicContact CG2-CB 3.47Å; V392-A477 VanDerWaalsContact CG2-CB 3.47Å; F423-A477 HydrophobicContact CE1-CB 4.12Å; F423-A477 HydrophobicContact CZ-CB 4.17Å; V465-A477 HydrophobicContact CB-CB 4.28Å; V465-A477 HydrophobicContact CG2-CB 4.21Å; L472-A477 HydrophobicContact CD2-CB 3.72Å; L472-A477 HydrophobicContact CG-CB 3.91Å; S473-A477 PolarHBondContact O-N 2.97Å; A477-V480 PolarHBondContact O-N 2.81Å; A477-L481 PolarHBondContact O-N 3.29Å |
| 478 | A | 86.8 | Confident | 83.3 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V392 G474 V480 L481 N482 A501 | V392-A478 HydrophobicContact CG1-CB 4.29Å; G474-A478 WeakPolarHBondContact O-CB 3.48Å; G474-A478 PolarHBondContact O-N 3.19Å; A478-V480 VanDerWaalsContact C-N 3.27Å; A478-V480 PolarHBondContact O-N 3.25Å; A478-L481 PolarHBondContact O-N 2.92Å; A478-N482 VanDerWaalsContact O-CB 3.29Å; A478-N482 WeakPolarHBondContact O-CB 3.41Å; A478-N482 PolarHBondContact O-N 3.49Å; A478-N482 PolarHBondContact O-ND2 3.18Å; A478-A501 HydrophobicContact CB-CB 3.75Å |
| 479 | K | 86.6 | Confident | 83.9 | Confident | 158 Ų | 158 | 52.1 Ų | 52.1 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.2 | -37 | 174 | -177.9 | 175.8 | 178.9 | 179.2 | 0 | 112.7 | T475 S476 T483 | T475-K479 VanDerWaalsContact O-CB 3.27Å; T475-K479 WeakPolarHBondContact O-CB 3.25Å; T475-K479 PolarHBondContact O-N 3Å; S476-K479 PolarHBondContact O-N 3.43Å; K479-T483 WeakPolarHBondContact O-CG2 3.28Å |
| 480 | V | 84.9 | Confident | 84.8 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.6 | -47.7 | 176.7 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | F423 A426 S476 A477 A478 N482 T483 | F423-V480 HydrophobicContact CD1-CG1 3.85Å; F423-V480 HydrophobicContact CE1-CB 4.39Å; F423-V480 HydrophobicContact CE1-CG1 4.18Å; A426-V480 HydrophobicContact CB-CG1 3.45Å; A426-V480 VanDerWaalsContact CB-CG1 3.45Å; S476-V480 WeakPolarHBondContact O-CG2 3.4Å; S476-V480 PolarHBondContact O-N 3.28Å; A477-V480 PolarHBondContact O-N 2.81Å; A478-V480 VanDerWaalsContact C-N 3.27Å; A478-V480 PolarHBondContact O-N 3.25Å; V480-N482 VanDerWaalsContact C-N 3.32Å; V480-N482 PolarHBondContact O-N 2.86Å; V480-T483 PolarHBondContact O-N 2.96Å; V480-T483 VanDerWaalsContact O-N 3.12Å; V480-T483 PolarHBondContact O-OG1 3.44Å |
| 481 | L | 85 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 177.7 | -73.2 | 177.5 | 0 | 0 | 0 | 113.1 | L422 F423 Y463 A477 A478 T483 V484 M489 A501 | L422-L481 HydrophobicContact CB-CD2 4Å; F423-L481 HydrophobicContact CD1-CD2 4.26Å; F423-L481 HydrophobicContact CD1-CG 4.27Å; F423-L481 HydrophobicContact CD2-CD2 4.34Å; F423-L481 HydrophobicContact CE1-CD1 4.07Å; F423-L481 HydrophobicContact CE1-CD2 4.12Å; F423-L481 HydrophobicContact CE1-CG 3.65Å; F423-L481 HydrophobicContact CE2-CD1 3.76Å; F423-L481 HydrophobicContact CE2-CD2 4.2Å; F423-L481 HydrophobicContact CE2-CG 4.08Å; F423-L481 HydrophobicContact CG-CD2 4.35Å; F423-L481 HydrophobicContact CZ-CD1 3.39Å; F423-L481 HydrophobicContact CZ-CD2 4.07Å; F423-L481 HydrophobicContact CZ-CG 3.53Å; Y463-L481 HydrophobicContact CE2-CD1 4.49Å; Y463-L481 WeakPolarHBondContact OH-CD1 3.26Å; A477-L481 PolarHBondContact O-N 3.29Å; A478-L481 PolarHBondContact O-N 2.92Å; L481-T483 PolarHBondContact O-N 2.83Å; L481-T483 VanDerWaalsContact O-N 3.16Å; L481-V484 WeakPolarHBondContact O-CB 3.32Å; L481-V484 PolarHBondContact O-N 2.71Å; L481-M489 HydrophobicContact CB-CE 3.93Å; L481-M489 VanDerWaalsContact O-CE 3.24Å; L481-M489 WeakPolarHBondContact O-CE 3.39Å; L481-A501 HydrophobicContact CB-CB 3.82Å; L481-A501 HydrophobicContact CD1-CB 4.13Å |
| 482 | N | 86.6 | Confident | 85.4 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 40% | 0.401 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 4.7 | 174.3 | -63.5 | -18.5 | 0 | 0 | 0 | 113.5 | A478 V480 Q500 A501 | A478-N482 VanDerWaalsContact O-CB 3.29Å; A478-N482 WeakPolarHBondContact O-CB 3.41Å; A478-N482 PolarHBondContact O-N 3.49Å; A478-N482 PolarHBondContact O-ND2 3.18Å; V480-N482 VanDerWaalsContact C-N 3.32Å; V480-N482 PolarHBondContact O-N 2.86Å; N482-Q500 WeakPolarHBondContact OD1-CB 3.32Å; N482-A501 PolarHBondContact ND2-O 3.24Å; N482-A501 PolarHBondContact OD1-N 2.99Å; N482-A501 PolarHBondContact OD1-O 2.79Å |
| 483 | T | 84.4 | Confident | 85.5 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.6 | 160.7 | 70 | 0 | 0 | 0 | 0 | 113.3 | K479 V480 L481 | K479-T483 WeakPolarHBondContact O-CG2 3.28Å; V480-T483 PolarHBondContact O-N 2.96Å; V480-T483 VanDerWaalsContact O-N 3.12Å; V480-T483 PolarHBondContact O-OG1 3.44Å; L481-T483 PolarHBondContact O-N 2.83Å; L481-T483 VanDerWaalsContact O-N 3.16Å |
| 484 | V | 85.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -85.6 | 136.4 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 109 | L422 A426 L481 T488 M489 Q500 | L422-V484 HydrophobicContact CD2-CG1 4.12Å; A426-V484 HydrophobicContact CB-CG2 3.43Å; A426-V484 VanDerWaalsContact CB-CG2 3.43Å; L481-V484 WeakPolarHBondContact O-CB 3.32Å; L481-V484 PolarHBondContact O-N 2.71Å; V484-T488 HydrophobicContact CG1-CG2 3.71Å; V484-M489 HydrophobicContact CB-CE 4.27Å; V484-M489 HydrophobicContact CG1-CB 4.39Å; V484-Q500 PolarHBondContact O-NE2 3.04Å |
| 485 | D | 85.6 | Confident | 85.7 | Confident | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | trans | -65.8 | 145.4 | 173.9 | 166.1 | 56.7 | 0 | 0 | 0 | 112.1 | Q487 T488 M489 | D485-Q487 VanDerWaalsContact C-N 3.29Å; D485-Q487 PolarHBondContact O-N 3.06Å; D485-Q487 WeakPolarHBondContact OD2-CA 3.34Å; D485-Q487 WeakPolarHBondContact OD2-CB 3.42Å; D485-Q487 WeakPolarHBondContact OD2-CG 3.08Å; D485-Q487 PolarHBondContact OD2-N 2.79Å; D485-T488 WeakPolarHBondContact O-CB 3.14Å; D485-T488 PolarHBondContact O-N 2.83Å; D485-T488 VanDerWaalsContact O-N 3.14Å; D485-T488 PolarHBondContact OD2-N 3.02Å; D485-M489 WeakPolarHBondContact O-CB 3.32Å; D485-M489 PolarHBondContact O-N 3.27Å | ||
| 486 | S | 83.4 | Confident | 85.8 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -43.8 | -43.9 | 172.4 | 60.7 | 0 | 0 | 0 | 0 | 115 | A490 Q500 | S486-A490 WeakPolarHBondContact O-CB 3.44Å; S486-A490 PolarHBondContact O-N 3.03Å; S486-Q500 VanDerWaalsContact N-NE2 3.12Å |
| 487 | Q | 85.8 | Confident | 85.8 | Confident | 140 Ų | 140 | 53.9 Ų | 53.9 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -74.5 | -42.2 | -178.8 | -49.5 | -178.1 | 3.8 | 0 | 0 | 110.5 | D485 M489 A490 L491 | D485-Q487 VanDerWaalsContact C-N 3.29Å; D485-Q487 PolarHBondContact O-N 3.06Å; D485-Q487 WeakPolarHBondContact OD2-CA 3.34Å; D485-Q487 WeakPolarHBondContact OD2-CB 3.42Å; D485-Q487 WeakPolarHBondContact OD2-CG 3.08Å; D485-Q487 PolarHBondContact OD2-N 2.79Å; Q487-M489 VanDerWaalsContact C-N 3.32Å; Q487-M489 PolarHBondContact O-N 3.2Å; Q487-A490 PolarHBondContact O-N 2.79Å; Q487-L491 WeakPolarHBondContact O-CB 3.41Å; Q487-L491 WeakPolarHBondContact O-CG 3.45Å; Q487-L491 PolarHBondContact O-N 2.91Å |
| 488 | T | 84.8 | Confident | 85.4 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | V484 D485 L491 T492 | V484-T488 HydrophobicContact CG1-CG2 3.71Å; D485-T488 WeakPolarHBondContact O-CB 3.14Å; D485-T488 PolarHBondContact O-N 2.83Å; D485-T488 VanDerWaalsContact O-N 3.14Å; D485-T488 PolarHBondContact OD2-N 3.02Å; T488-L491 PolarHBondContact O-N 3.41Å; T488-T492 PolarHBondContact O-N 3.39Å; T488-T492 PolarHBondContact O-OG1 3.47Å |
| 489 | M | 86.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.9 | -162.1 | -177.6 | -77 | 0 | 0 | 112.2 | L422 L481 V484 D485 Q487 L493 V497 Q500 | L422-M489 HydrophobicContact CD1-CG 3.67Å; L422-M489 HydrophobicContact CD2-CG 4.47Å; L481-M489 HydrophobicContact CB-CE 3.93Å; L481-M489 VanDerWaalsContact O-CE 3.24Å; L481-M489 WeakPolarHBondContact O-CE 3.39Å; V484-M489 HydrophobicContact CB-CE 4.27Å; V484-M489 HydrophobicContact CG1-CB 4.39Å; D485-M489 WeakPolarHBondContact O-CB 3.32Å; D485-M489 PolarHBondContact O-N 3.27Å; Q487-M489 VanDerWaalsContact C-N 3.32Å; Q487-M489 PolarHBondContact O-N 3.2Å; M489-L493 HydrophobicContact CG-CD1 4.28Å; M489-L493 WeakPolarHBondContact O-CB 3.4Å; M489-L493 WeakPolarHBondContact O-CG 3.5Å; M489-L493 PolarHBondContact O-N 3.07Å; M489-V497 HydrophobicContact CB-CG2 4.36Å; M489-V497 HydrophobicContact CG-CG2 3.96Å; M489-V497 HydrophobicContact SD-CB 4.31Å; M489-V497 HydrophobicContact SD-CG1 3.89Å; M489-V497 HydrophobicContact SD-CG2 4.1Å; M489-Q500 HydrophobicContact CE-CB 3.85Å; M489-Q500 HydrophobicContact CE-CG 4.07Å; M489-Q500 HydrophobicContact SD-CB 3.99Å; M489-Q500 HydrophobicContact SD-CG 4.03Å |
| 490 | A | 87.4 | Confident | 84.6 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S486 Q487 G494 Y495 | S486-A490 WeakPolarHBondContact O-CB 3.44Å; S486-A490 PolarHBondContact O-N 3.03Å; Q487-A490 PolarHBondContact O-N 2.79Å; A490-G494 VanDerWaalsContact O-CA 3.32Å; A490-G494 WeakPolarHBondContact O-CA 3.39Å; A490-G494 PolarHBondContact O-N 3.11Å; A490-Y495 VanDerWaalsContact CA-O 3.31Å; A490-Y495 WeakPolarHBondContact CA-O 3.49Å; A490-Y495 PolarHBondContact O-N 2.64Å |
| 491 | L | 87.2 | Confident | 84.4 | Confident | 142 Ų | 142 | 54.4 Ų | 54.4 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.9 | -43.7 | 177 | -74.3 | 167.5 | 0 | 0 | 0 | 112.3 | Q487 T488 | Q487-L491 WeakPolarHBondContact O-CB 3.41Å; Q487-L491 WeakPolarHBondContact O-CG 3.45Å; Q487-L491 PolarHBondContact O-N 2.91Å; T488-L491 PolarHBondContact O-N 3.41Å |
| 492 | T | 84.9 | Confident | 84.3 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.8 | -38.3 | 178.9 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | R418 D421 L422 L425 T488 | R418-T492 WeakPolarHBondContact CB-O 3.17Å; R418-T492 VanDerWaalsContact CD-O 3.25Å; R418-T492 WeakPolarHBondContact CD-O 3.24Å; R418-T492 VanDerWaalsContact CG-O 3.29Å; R418-T492 WeakPolarHBondContact CG-O 3.24Å; D421-T492 HydrophobicContact CB-CG2 4.2Å; L422-T492 HydrophobicContact CD2-CG2 4.12Å; L422-T492 HydrophobicContact CG-CG2 3.78Å; L425-T492 HydrophobicContact CD1-CG2 4.48Å; T488-T492 PolarHBondContact O-N 3.39Å; T488-T492 PolarHBondContact O-OG1 3.47Å |
| 493 | L | 85.9 | Confident | 84 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.2 | -25.1 | 174.6 | -67.4 | -175.2 | 0 | 0 | 0 | 113.1 | I396 M415 R418 L419 L422 M461 M489 Y495 V497 | I396-L493 HydrophobicContact CG2-CD1 4.12Å; M415-L493 HydrophobicContact CE-CB 4.24Å; M415-L493 HydrophobicContact CE-CD1 4.28Å; M415-L493 HydrophobicContact CE-CD2 3.8Å; M415-L493 HydrophobicContact CE-CG 4.31Å; R418-L493 HydrophobicContact CB-CD2 3.9Å; R418-L493 WeakPolarHBondContact CD-O 3.31Å; R418-L493 PolarHBondContact NH1-O 2.85Å; L419-L493 HydrophobicContact CD2-CD2 4.16Å; L419-L493 HydrophobicContact CG-CD2 4.15Å; L422-L493 HydrophobicContact CD1-CD1 4.22Å; L422-L493 HydrophobicContact CD1-CD2 3.69Å; L422-L493 HydrophobicContact CD1-CG 3.63Å; M461-L493 HydrophobicContact CE-CD1 3.93Å; M461-L493 HydrophobicContact CE-CD2 4.35Å; M489-L493 HydrophobicContact CG-CD1 4.28Å; M489-L493 WeakPolarHBondContact O-CB 3.4Å; M489-L493 WeakPolarHBondContact O-CG 3.5Å; M489-L493 PolarHBondContact O-N 3.07Å; L493-Y495 VanDerWaalsContact C-N 3.26Å; L493-Y495 WeakPolarHBondContact O-CD2 3.15Å; L493-V497 HydrophobicContact CD1-CG2 3.9Å |
| 494 | G | 86.3 | Confident | 83.5 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 47% | 0.474 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 15 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A490 | A490-G494 VanDerWaalsContact O-CA 3.32Å; A490-G494 WeakPolarHBondContact O-CA 3.39Å; A490-G494 PolarHBondContact O-N 3.11Å |
| 495 | Y | 87 | Confident | 82.8 | Confident | 55 Ų | 55 | 57 Ų | 57 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -139 | 144.5 | 179.2 | -67.6 | -78.6 | 0 | 0 | 0 | 109.8 | I396 V399 F411 M415 A490 L493 V497 | I396-Y495 HydrophobicContact CD1-CD2 4.39Å; I396-Y495 HydrophobicContact CD1-CG 4.45Å; V399-Y495 HydrophobicContact CG2-CD1 3.96Å; V399-Y495 HydrophobicContact CG2-CE1 4.13Å; V399-Y495 HydrophobicContact CG2-CG 4.45Å; F411-Y495 AromaticContact CE2-CE2 3.82Å; F411-Y495 HydrophobicContact CE2-CE2 3.82Å; F411-Y495 AromaticContact CE2-CZ 3.88Å; F411-Y495 HydrophobicContact CZ-CE2 4.22Å; M415-Y495 HydrophobicContact CE-CD2 4.44Å; M415-Y495 HydrophobicContact SD-CD2 4.07Å; M415-Y495 HydrophobicContact SD-CE2 4.1Å; A490-Y495 VanDerWaalsContact CA-O 3.31Å; A490-Y495 WeakPolarHBondContact CA-O 3.49Å; A490-Y495 PolarHBondContact O-N 2.64Å; L493-Y495 VanDerWaalsContact C-N 3.26Å; L493-Y495 WeakPolarHBondContact O-CD2 3.15Å; Y495-V497 PolarHBondContact O-N 3.4Å |
| 496 | F | 85.4 | Confident | 81.7 | Confident | 131 Ų | 131 | 59.3 Ų | 59.3 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | trans | -66.1 | 128.2 | 175.3 | -71.2 | -76.1 | 0 | 0 | 0 | 110.7 | I396 Q397 | I396-F496 CarbonylContact C-O 3.54Å; I396-F496 WeakPolarHBondContact CA-O 3.25Å; Q397-F496 HydrophobicContact CB-CB 4.22Å; Q397-F496 PolarHBondContact N-O 3.4Å | ||
| 497 | V | 84.9 | Confident | 80.1 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.5 | -176.8 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | I396 M489 L493 Y495 V499 | I396-V497 HydrophobicContact CG2-CG2 4.35Å; M489-V497 HydrophobicContact CB-CG2 4.36Å; M489-V497 HydrophobicContact CG-CG2 3.96Å; M489-V497 HydrophobicContact SD-CB 4.31Å; M489-V497 HydrophobicContact SD-CG1 3.89Å; M489-V497 HydrophobicContact SD-CG2 4.1Å; L493-V497 HydrophobicContact CD1-CG2 3.9Å; Y495-V497 PolarHBondContact O-N 3.4Å; V497-V499 WeakPolarHBondContact CG1-O 3.26Å |
| 498 | Q | 79.1 | Confident | 78.6 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -32.7 | 176.6 | -175 | 172.1 | -12.3 | 0 | 0 | 112.5 | V395 Q397 | V395-Q498 HydrophobicContact CB-CB 4.32Å; V395-Q498 HydrophobicContact CG1-CB 4.17Å; V395-Q498 PolarHBondContact O-N 3.44Å; Q397-Q498 HydrophobicContact CG-CB 4.15Å |
| 499 | V | 80.2 | Confident | 76.9 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 26% | 0.255 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 107.3 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | T394 V395 V497 E502 | T394-V499 WeakPolarHBondContact CA-O 3.49Å; V395-V499 HydrophobicContact CB-CB 3.91Å; V395-V499 HydrophobicContact CB-CG2 3.94Å; V395-V499 HydrophobicContact CG2-CB 3.96Å; V395-V499 HydrophobicContact CG2-CG2 3.88Å; V395-V499 PolarHBondContact N-O 3.42Å; V395-V499 PolarHBondContact O-N 3.44Å; V497-V499 WeakPolarHBondContact CG1-O 3.26Å; V499-E502 HydrophobicContact CG1-CG 3.76Å |
| 500 | Q | 76.4 | Confident | 75.3 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 27% | 0.266 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | -54.2 | -172 | -78.4 | -170.8 | -36.9 | 0 | 0 | 112.9 | T394 N482 V484 S486 M489 | T394-Q500 WeakPolarHBondContact CG2-O 3.25Å; N482-Q500 WeakPolarHBondContact OD1-CB 3.32Å; V484-Q500 PolarHBondContact O-NE2 3.04Å; S486-Q500 VanDerWaalsContact N-NE2 3.12Å; M489-Q500 HydrophobicContact CE-CB 3.85Å; M489-Q500 HydrophobicContact CE-CG 4.07Å; M489-Q500 HydrophobicContact SD-CB 3.99Å; M489-Q500 HydrophobicContact SD-CG 4.03Å |
| 501 | A | 80.7 | Confident | 74 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 3% | 0.033 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 134.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V392 V393 T394 A478 L481 N482 | V392-A501 HydrophobicContact CG1-CB 3.74Å; V393-A501 WeakPolarHBondContact O-CA 3.44Å; T394-A501 HydrophobicContact CG2-CB 4.23Å; A478-A501 HydrophobicContact CB-CB 3.75Å; L481-A501 HydrophobicContact CB-CB 3.82Å; L481-A501 HydrophobicContact CD1-CB 4.13Å; N482-A501 PolarHBondContact ND2-O 3.24Å; N482-A501 PolarHBondContact OD1-N 2.99Å; N482-A501 PolarHBondContact OD1-O 2.79Å |
| 502 | E | 82.2 | Confident | 72.9 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 39% | 0.388 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.4 | 167.1 | -67.4 | -163.1 | 126.9 | 0 | 0 | 110.7 | V393 V499 K506 | V393-E502 PolarHBondContact N-O 3.03Å; V393-E502 PolarHBondContact O-N 2.89Å; V499-E502 HydrophobicContact CG1-CG 3.76Å; E502-K506 WeakPolarHBondContact OE1-CE 3.3Å; E502-K506 IonicContact OE1-NZ 2.69Å; E502-K506 PolarHBondContact OE1-NZ 3.03Å; E502-K506 VanDerWaalsContact OE2-CE 3.27Å; E502-K506 WeakPolarHBondContact OE2-CE 3.14Å; E502-K506 IonicContact OE2-NZ 3.63Å; E502-K506 PolarHBondContact OE2-NZ 3.06Å |
| 503 | P | 80.1 | Confident | 72.1 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 140.6 | 171.2 | 29.1 | -33.4 | 0 | 0 | 0 | 110.9 | T475 V505 K506 | T475-P503 HydrophobicContact CG2-CB 4.23Å; T475-P503 HydrophobicContact CG2-CG 4.22Å; P503-V505 VanDerWaalsContact C-N 3.33Å; P503-V505 PolarHBondContact O-N 2.9Å; P503-K506 HydrophobicContact CG-CG 4.14Å |
| 504 | V | 73.9 | Confident | 71.3 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -58.3 | -48.3 | 172.3 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | W391 V393 T462 K506 | W391-V504 HydrophobicContact CB-CB 3.91Å; W391-V504 HydrophobicContact CB-CG2 3.45Å; W391-V504 VanDerWaalsContact CB-CG2 3.45Å; W391-V504 HydrophobicContact CE3-CG1 4.45Å; W391-V504 HydrophobicContact CE3-CG2 4.34Å; W391-V504 PolarHBondContact O-N 3.49Å; V393-V504 HydrophobicContact CG2-CB 4.35Å; V393-V504 HydrophobicContact CG2-CG2 3.35Å; T462-V504 HydrophobicContact CG2-CG2 3.62Å; V504-K506 PolarHBondContact O-N 3.37Å |
| 505 | V | 70.8 | Confident | 70.4 | Confident | 42 Ų | 42 | 87.2 Ų | 87.2 | 26% | 0.255 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -93.5 | 93.5 | 173.2 | -173 | 0 | 0 | 0 | 0 | 108.7 | R388 D389 P503 N507 | R388-V505 HydrophobicContact CB-CG2 3.93Å; D389-V505 WeakPolarHBondContact OD1-CB 3.25Å; D389-V505 WeakPolarHBondContact OD1-CG1 3.3Å; D389-V505 WeakPolarHBondContact OD1-CG2 3.22Å; P503-V505 VanDerWaalsContact C-N 3.33Å; P503-V505 PolarHBondContact O-N 2.9Å; V505-N507 WeakPolarHBondContact CG1-ND2 3.39Å; V505-N507 PolarHBondContact O-N 3.17Å |
| 506 | K | 62.3 | Low | 69.5 | Low | 123 Ų | 123 | 86.9 Ų | 86.9 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | trans | -70.1 | 72.8 | 164.7 | -63.8 | -174.6 | -171.2 | -175.7 | 0 | 109.4 | E502 P503 V504 P508 | E502-K506 WeakPolarHBondContact OE1-CE 3.3Å; E502-K506 IonicContact OE1-NZ 2.69Å; E502-K506 PolarHBondContact OE1-NZ 3.03Å; E502-K506 VanDerWaalsContact OE2-CE 3.27Å; E502-K506 WeakPolarHBondContact OE2-CE 3.14Å; E502-K506 IonicContact OE2-NZ 3.63Å; E502-K506 PolarHBondContact OE2-NZ 3.06Å; P503-K506 HydrophobicContact CG-CG 4.14Å; V504-K506 PolarHBondContact O-N 3.37Å; K506-P508 WeakPolarHBondContact O-CD 3.31Å; K506-P508 VanDerWaalsContact O-N 3.14Å | ||
| 507 | N | 50.9 | Low | 69.1 | Low | 98 Ų | 98 | 83.9 Ų | 83.9 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 116.9 | 163.7 | -81.2 | -58.1 | 0 | 0 | 0 | 107.3 | V505 | V505-N507 WeakPolarHBondContact CG1-ND2 3.39Å; V505-N507 PolarHBondContact O-N 3.17Å |
| 508 | P | 53 | Low | 69.1 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 159.7 | 176.6 | 27.7 | -34.3 | 0 | 0 | 0 | 109.4 | K506 N510 | K506-P508 WeakPolarHBondContact O-CD 3.31Å; K506-P508 VanDerWaalsContact O-N 3.14Å; P508-N510 PolarHBondContact O-N 3.41Å; P508-N510 VanDerWaalsContact O-N 3.15Å |
| 509 | P | 49.8 | Very low | 69.2 | Low | 122 Ų | 122 | 84 Ų | 84 | 79% | 0.792 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -51.1 | 129.2 | 166.1 | 24.6 | -33.7 | 0 | 0 | 0 | 108.1 | ||
| 510 | N | 53.8 | Low | 69.3 | Low | 136 Ų | 136 | 84.6 Ų | 84.6 | 73% | 0.727 | 47% | 0.465 | S | S | * | . | trans | -45.9 | 160.2 | -165.2 | -80.7 | -22.6 | 0 | 0 | 0 | 113.8 | P508 L512 | P508-N510 PolarHBondContact O-N 3.41Å; P508-N510 VanDerWaalsContact O-N 3.15Å; N510-L512 PolarHBondContact O-N 3.3Å | ||
| 511 | N | 59.4 | Low | 69.8 | Low | 93 Ų | 93 | 85.1 Ų | 85.1 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 18.2 | -179.5 | -66.9 | -24.9 | 0 | 0 | 0 | 117 | W513 I514 I515 | N511-W513 PolarHBondContact O-N 3.32Å; N511-I514 HydrophobicContact CB-CB 4.21Å; N511-I514 HydrophobicContact CB-CD1 4.49Å; N511-I514 CarbonylContact O-C 3.4Å; N511-I514 WeakPolarHBondContact O-CA 3.33Å; N511-I514 WeakPolarHBondContact O-CB 3.34Å; N511-I514 PolarHBondContact O-N 3.1Å; N511-I515 HydrophobicContact CB-CD1 4.24Å; N511-I515 HydrophobicContact CB-CG1 4.43Å; N511-I515 WeakPolarHBondContact O-CB 3.41Å; N511-I515 VanDerWaalsContact O-CG1 3.28Å; N511-I515 WeakPolarHBondContact O-CG1 3.38Å; N511-I515 PolarHBondContact O-N 3.47Å |
| 512 | L | 64.3 | Low | 70.2 | Confident | 130 Ų | 130 | 89.2 Ų | 89.2 | 68% | 0.681 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -47.5 | -41.6 | 172.7 | -124.1 | 161.5 | 0 | 0 | 0 | 112.9 | N510 A516 | N510-L512 PolarHBondContact O-N 3.3Å; L512-A516 WeakPolarHBondContact O-CB 3.31Å; L512-A516 PolarHBondContact O-N 2.82Å |
| 513 | W | 67.2 | Low | 70.3 | Confident | 223 Ų | 223 | 88.4 Ų | 88.4 | 85% | 0.845 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.4 | -38.8 | 174 | -72.5 | 103.8 | 0 | 0 | 0 | 113.1 | N511 A517 | N511-W513 PolarHBondContact O-N 3.32Å; W513-A517 WeakPolarHBondContact O-CB 3.34Å; W513-A517 PolarHBondContact O-N 2.84Å |
| 514 | I | 69.1 | Low | 70.9 | Confident | 103 Ų | 103 | 91 Ų | 91 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.3 | -40.4 | 177.3 | -71.3 | 162.5 | 0 | 0 | 0 | 110.7 | N511 A517 V518 | N511-I514 HydrophobicContact CB-CB 4.21Å; N511-I514 HydrophobicContact CB-CD1 4.49Å; N511-I514 CarbonylContact O-C 3.4Å; N511-I514 WeakPolarHBondContact O-CA 3.33Å; N511-I514 WeakPolarHBondContact O-CB 3.34Å; N511-I514 PolarHBondContact O-N 3.1Å; I514-A517 PolarHBondContact O-N 3.03Å; I514-V518 WeakPolarHBondContact O-CB 3.34Å; I514-V518 VanDerWaalsContact O-CG2 3.3Å; I514-V518 WeakPolarHBondContact O-CG2 3.16Å; I514-V518 PolarHBondContact O-N 3.06Å |
| 515 | I | 67.5 | Low | 71.8 | Confident | 85 Ų | 85 | 92.2 Ų | 92.2 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.1 | -70.8 | 165.3 | 0 | 0 | 0 | 109.8 | N511 V518 L519 | N511-I515 HydrophobicContact CB-CD1 4.24Å; N511-I515 HydrophobicContact CB-CG1 4.43Å; N511-I515 WeakPolarHBondContact O-CB 3.41Å; N511-I515 VanDerWaalsContact O-CG1 3.28Å; N511-I515 WeakPolarHBondContact O-CG1 3.38Å; N511-I515 PolarHBondContact O-N 3.47Å; I515-V518 PolarHBondContact O-N 2.78Å; I515-L519 HydrophobicContact CG2-CD1 3.52Å; I515-L519 HydrophobicContact CG2-CG 4.3Å; I515-L519 VanDerWaalsContact O-CB 3.23Å; I515-L519 WeakPolarHBondContact O-CB 3.13Å; I515-L519 VanDerWaalsContact O-CG 3.25Å; I515-L519 WeakPolarHBondContact O-CG 3.42Å; I515-L519 PolarHBondContact O-N 3.4Å |
| 516 | A | 68.4 | Low | 72.7 | Confident | 48 Ų | 48 | 93.4 Ų | 93.4 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L512 V518 L519 A520 | L512-A516 WeakPolarHBondContact O-CB 3.31Å; L512-A516 PolarHBondContact O-N 2.82Å; A516-V518 PolarHBondContact O-N 3.45Å; A516-L519 PolarHBondContact O-N 3.38Å; A516-A520 VanDerWaalsContact O-CB 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.22Å; A516-A520 PolarHBondContact O-N 3.32Å |
| 517 | A | 77.9 | Confident | 74 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -23.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | W513 I514 P521 | W513-A517 WeakPolarHBondContact O-CB 3.34Å; W513-A517 PolarHBondContact O-N 2.84Å; I514-A517 PolarHBondContact O-N 3.03Å; A517-P521 WeakPolarHBondContact O-CD 3.23Å; A517-P521 VanDerWaalsContact O-CG 3.25Å; A517-P521 WeakPolarHBondContact O-CG 3.3Å |
| 518 | V | 83.7 | Confident | 75.9 | Confident | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -91.9 | -40.4 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 112 | I514 I515 A516 P521 I522 | I514-V518 WeakPolarHBondContact O-CB 3.34Å; I514-V518 VanDerWaalsContact O-CG2 3.3Å; I514-V518 WeakPolarHBondContact O-CG2 3.16Å; I514-V518 PolarHBondContact O-N 3.06Å; I515-V518 PolarHBondContact O-N 2.78Å; A516-V518 PolarHBondContact O-N 3.45Å; V518-P521 WeakPolarHBondContact O-CD 3.34Å; V518-P521 WeakPolarHBondContact O-CG 3.27Å; V518-I522 HydrophobicContact CG1-CD1 3.74Å; V518-I522 WeakPolarHBondContact O-CD1 3.14Å; V518-I522 VanDerWaalsContact O-CG1 3.24Å; V518-I522 WeakPolarHBondContact O-CG1 3.36Å; V518-I522 PolarHBondContact O-N 3.3Å |
| 519 | L | 81 | Confident | 77.6 | Confident | 59 Ų | 59 | 92 Ų | 92 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.5 | -36.4 | 178.8 | -73.7 | 169.8 | 0 | 0 | 0 | 113 | I515 A516 I522 S523 | I515-L519 HydrophobicContact CG2-CD1 3.52Å; I515-L519 HydrophobicContact CG2-CG 4.3Å; I515-L519 VanDerWaalsContact O-CB 3.23Å; I515-L519 WeakPolarHBondContact O-CB 3.13Å; I515-L519 VanDerWaalsContact O-CG 3.25Å; I515-L519 WeakPolarHBondContact O-CG 3.42Å; I515-L519 PolarHBondContact O-N 3.4Å; A516-L519 PolarHBondContact O-N 3.38Å; L519-I522 PolarHBondContact O-N 2.91Å; L519-S523 WeakPolarHBondContact O-CB 3.49Å; L519-S523 PolarHBondContact O-N 3.29Å; L519-S523 PolarHBondContact O-OG 3.03Å |
| 520 | A | 82.4 | Confident | 79.4 | Confident | 54 Ų | 54 | 91.2 Ų | 91.2 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.9 | -56 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A516 I522 S523 V524 | A516-A520 VanDerWaalsContact O-CB 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.22Å; A516-A520 PolarHBondContact O-N 3.32Å; A520-I522 PolarHBondContact O-N 3.43Å; A520-S523 PolarHBondContact O-N 3.4Å; A520-S523 PolarHBondContact O-OG 2.83Å; A520-V524 WeakPolarHBondContact O-CG2 3.4Å; A520-V524 PolarHBondContact O-N 3.27Å |
| 521 | P | 87.3 | Confident | 81 | Confident | 68 Ų | 68 | 89.2 Ų | 89.2 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 177 | 25 | -33.6 | 0 | 0 | 0 | 113 | A517 V518 S523 V524 V525 | A517-P521 WeakPolarHBondContact O-CD 3.23Å; A517-P521 VanDerWaalsContact O-CG 3.25Å; A517-P521 WeakPolarHBondContact O-CG 3.3Å; V518-P521 WeakPolarHBondContact O-CD 3.34Å; V518-P521 WeakPolarHBondContact O-CG 3.27Å; P521-S523 VanDerWaalsContact C-N 3.33Å; P521-S523 PolarHBondContact O-N 2.98Å; P521-V524 PolarHBondContact O-N 3.11Å; P521-V525 WeakPolarHBondContact O-CB 3.28Å; P521-V525 WeakPolarHBondContact O-CG2 3.43Å; P521-V525 PolarHBondContact O-N 3.19Å |
| 522 | I | 89.1 | Confident | 82.2 | Confident | 91 Ų | 91 | 89 Ų | 89 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.3 | -68.8 | 170.9 | 0 | 0 | 0 | 110.5 | V518 L519 A520 V524 V525 T526 | V518-I522 HydrophobicContact CG1-CD1 3.74Å; V518-I522 WeakPolarHBondContact O-CD1 3.14Å; V518-I522 VanDerWaalsContact O-CG1 3.24Å; V518-I522 WeakPolarHBondContact O-CG1 3.36Å; V518-I522 PolarHBondContact O-N 3.3Å; L519-I522 PolarHBondContact O-N 2.91Å; A520-I522 PolarHBondContact O-N 3.43Å; I522-V524 VanDerWaalsContact C-N 3.35Å; I522-V524 PolarHBondContact O-N 3.5Å; I522-V525 PolarHBondContact O-N 3.17Å; I522-T526 WeakPolarHBondContact O-CG2 3.28Å; I522-T526 PolarHBondContact O-N 2.9Å; I522-T526 PolarHBondContact O-OG1 2.82Å |
| 523 | S | 84.1 | Confident | 83 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 113 | L519 A520 P521 T526 L527 | L519-S523 WeakPolarHBondContact O-CB 3.49Å; L519-S523 PolarHBondContact O-N 3.29Å; L519-S523 PolarHBondContact O-OG 3.03Å; A520-S523 PolarHBondContact O-N 3.4Å; A520-S523 PolarHBondContact O-OG 2.83Å; P521-S523 VanDerWaalsContact C-N 3.33Å; P521-S523 PolarHBondContact O-N 2.98Å; S523-T526 PolarHBondContact O-OG1 2.65Å; S523-T526 VanDerWaalsContact O-OG1 3.12Å; S523-L527 VanDerWaalsContact O-CB 3.28Å; S523-L527 WeakPolarHBondContact O-CB 3.35Å; S523-L527 PolarHBondContact O-N 2.82Å |
| 524 | V | 92.1 | Very high | 83.5 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | A520 P521 I522 L527 I528 | A520-V524 WeakPolarHBondContact O-CG2 3.4Å; A520-V524 PolarHBondContact O-N 3.27Å; P521-V524 PolarHBondContact O-N 3.11Å; I522-V524 VanDerWaalsContact C-N 3.35Å; I522-V524 PolarHBondContact O-N 3.5Å; V524-L527 PolarHBondContact O-N 3.47Å; V524-I528 HydrophobicContact CG1-CD1 3.78Å; V524-I528 HydrophobicContact CG1-CG1 4.49Å; V524-I528 WeakPolarHBondContact O-CB 3.32Å; V524-I528 WeakPolarHBondContact O-CD1 3.45Å; V524-I528 VanDerWaalsContact O-CG1 3.23Å; V524-I528 WeakPolarHBondContact O-CG1 3.4Å; V524-I528 PolarHBondContact O-N 3.16Å |
| 525 | V | 93.3 | Very high | 84 | Confident | 80 Ų | 80 | 77.5 Ų | 77.5 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | P521 I522 I528 I529 | P521-V525 WeakPolarHBondContact O-CB 3.28Å; P521-V525 WeakPolarHBondContact O-CG2 3.43Å; P521-V525 PolarHBondContact O-N 3.19Å; I522-V525 PolarHBondContact O-N 3.17Å; V525-I528 PolarHBondContact O-N 3.02Å; V525-I529 HydrophobicContact CG1-CD1 3.81Å; V525-I529 HydrophobicContact CG1-CG1 4.5Å; V525-I529 VanDerWaalsContact O-CG1 3.28Å; V525-I529 WeakPolarHBondContact O-CG1 3.44Å; V525-I529 PolarHBondContact O-N 2.73Å |
| 526 | T | 89.7 | Confident | 84.2 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 175.9 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | I522 S523 I529 I530 | I522-T526 WeakPolarHBondContact O-CG2 3.28Å; I522-T526 PolarHBondContact O-N 2.9Å; I522-T526 PolarHBondContact O-OG1 2.82Å; S523-T526 PolarHBondContact O-OG1 2.65Å; S523-T526 VanDerWaalsContact O-OG1 3.12Å; T526-I529 PolarHBondContact O-N 3.42Å; T526-I530 WeakPolarHBondContact O-CB 3.38Å; T526-I530 WeakPolarHBondContact O-CD1 3.42Å; T526-I530 VanDerWaalsContact O-CG1 3.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.45Å; T526-I530 PolarHBondContact O-N 3.24Å |
| 527 | L | 90.1 | Very high | 83.9 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 172.6 | -174.7 | 67.8 | 0 | 0 | 0 | 111.8 | S523 V524 I530 I531 | S523-L527 VanDerWaalsContact O-CB 3.28Å; S523-L527 WeakPolarHBondContact O-CB 3.35Å; S523-L527 PolarHBondContact O-N 2.82Å; V524-L527 PolarHBondContact O-N 3.47Å; L527-I530 PolarHBondContact O-N 2.89Å; L527-I531 HydrophobicContact CD1-CD1 4.42Å; L527-I531 HydrophobicContact CG-CD1 4Å; L527-I531 WeakPolarHBondContact O-CB 3.49Å; L527-I531 VanDerWaalsContact O-CG1 3.29Å; L527-I531 WeakPolarHBondContact O-CG1 3.35Å; L527-I531 PolarHBondContact O-N 2.94Å |
| 528 | I | 90.4 | Very high | 83.3 | Confident | 84 Ų | 84 | 84 Ų | 84 | 43% | 0.431 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.6 | -72.1 | 165.1 | 0 | 0 | 0 | 110.7 | V524 V525 I530 I531 I532 | V524-I528 HydrophobicContact CG1-CD1 3.78Å; V524-I528 HydrophobicContact CG1-CG1 4.49Å; V524-I528 WeakPolarHBondContact O-CB 3.32Å; V524-I528 WeakPolarHBondContact O-CD1 3.45Å; V524-I528 VanDerWaalsContact O-CG1 3.23Å; V524-I528 WeakPolarHBondContact O-CG1 3.4Å; V524-I528 PolarHBondContact O-N 3.16Å; V525-I528 PolarHBondContact O-N 3.02Å; I528-I530 PolarHBondContact O-N 2.71Å; I528-I531 PolarHBondContact O-N 3.04Å; I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.31Å; I528-I532 WeakPolarHBondContact O-CB 3.42Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.22Å; I528-I532 PolarHBondContact O-N 3.11Å |
| 529 | I | 89.4 | Confident | 82.2 | Confident | 93 Ų | 93 | 87.3 Ų | 87.3 | 48% | 0.477 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.5 | -69.7 | 164.3 | 0 | 0 | 0 | 111 | V525 T526 I532 T533 | V525-I529 HydrophobicContact CG1-CD1 3.81Å; V525-I529 HydrophobicContact CG1-CG1 4.5Å; V525-I529 VanDerWaalsContact O-CG1 3.28Å; V525-I529 WeakPolarHBondContact O-CG1 3.44Å; V525-I529 PolarHBondContact O-N 2.73Å; T526-I529 PolarHBondContact O-N 3.42Å; I529-I532 PolarHBondContact O-N 3.34Å; I529-T533 VanDerWaalsContact O-CB 3.23Å; I529-T533 WeakPolarHBondContact O-CB 3.13Å; I529-T533 PolarHBondContact O-N 3.36Å; I529-T533 PolarHBondContact O-OG1 2.81Å |
| 530 | I | 86.9 | Confident | 81 | Confident | 107 Ų | 107 | 89.3 Ų | 89.3 | 55% | 0.549 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 176.2 | -70.9 | 162.7 | 0 | 0 | 0 | 110.8 | T526 L527 I528 T533 A534 | T526-I530 WeakPolarHBondContact O-CB 3.38Å; T526-I530 WeakPolarHBondContact O-CD1 3.42Å; T526-I530 VanDerWaalsContact O-CG1 3.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.45Å; T526-I530 PolarHBondContact O-N 3.24Å; L527-I530 PolarHBondContact O-N 2.89Å; I528-I530 PolarHBondContact O-N 2.71Å; I530-T533 PolarHBondContact O-N 3.49Å; I530-A534 WeakPolarHBondContact O-CB 3.47Å; I530-A534 PolarHBondContact O-N 3.34Å |
| 531 | I | 87.1 | Confident | 79.5 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 176.3 | -69.4 | 165.8 | 0 | 0 | 0 | 110.8 | L527 I528 T533 A534 V535 | L527-I531 HydrophobicContact CD1-CD1 4.42Å; L527-I531 HydrophobicContact CG-CD1 4Å; L527-I531 WeakPolarHBondContact O-CB 3.49Å; L527-I531 VanDerWaalsContact O-CG1 3.29Å; L527-I531 WeakPolarHBondContact O-CG1 3.35Å; L527-I531 PolarHBondContact O-N 2.94Å; I528-I531 PolarHBondContact O-N 3.04Å; I531-T533 VanDerWaalsContact C-N 3.34Å; I531-T533 PolarHBondContact O-N 2.94Å; I531-A534 PolarHBondContact O-N 2.83Å; I531-V535 HydrophobicContact CG2-CG2 4.4Å; I531-V535 WeakPolarHBondContact O-CB 3.49Å; I531-V535 VanDerWaalsContact O-CG2 3.27Å; I531-V535 WeakPolarHBondContact O-CG2 3.38Å; I531-V535 PolarHBondContact O-N 3.33Å |
| 532 | I | 86.1 | Confident | 77.8 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 45% | 0.451 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.2 | -72.8 | 171.4 | 0 | 0 | 0 | 110.4 | I528 I529 V535 L536 | I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.31Å; I528-I532 WeakPolarHBondContact O-CB 3.42Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.22Å; I528-I532 PolarHBondContact O-N 3.11Å; I529-I532 PolarHBondContact O-N 3.34Å; I532-V535 PolarHBondContact O-N 3.03Å; I532-L536 HydrophobicContact CG2-CD1 3.69Å; I532-L536 HydrophobicContact CG2-CG 4.32Å; I532-L536 VanDerWaalsContact O-CB 3.32Å; I532-L536 WeakPolarHBondContact O-CB 3.49Å; I532-L536 VanDerWaalsContact O-CG 3.3Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.3Å |
| 533 | T | 79.8 | Confident | 75.8 | Confident | 72 Ų | 72 | 99.7 Ų | 99.7 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65 | -43 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 111 | I529 I530 I531 V535 L536 C537 | I529-T533 VanDerWaalsContact O-CB 3.23Å; I529-T533 WeakPolarHBondContact O-CB 3.13Å; I529-T533 PolarHBondContact O-N 3.36Å; I529-T533 PolarHBondContact O-OG1 2.81Å; I530-T533 PolarHBondContact O-N 3.49Å; I531-T533 VanDerWaalsContact C-N 3.34Å; I531-T533 PolarHBondContact O-N 2.94Å; T533-V535 VanDerWaalsContact C-N 3.34Å; T533-V535 PolarHBondContact O-N 3.47Å; T533-L536 PolarHBondContact O-N 2.85Å; T533-C537 WeakPolarHBondContact O-CB 3.47Å; T533-C537 PolarHBondContact O-N 3.14Å; T533-C537 PolarHBondContact O-SG 2.94Å |
| 534 | A | 78.1 | Confident | 73.8 | Confident | 58 Ų | 58 | 106.2 Ų | 106.2 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I530 I531 K538 | I530-A534 WeakPolarHBondContact O-CB 3.47Å; I530-A534 PolarHBondContact O-N 3.34Å; I531-A534 PolarHBondContact O-N 2.83Å; A534-K538 WeakPolarHBondContact O-CB 3.39Å; A534-K538 PolarHBondContact O-N 3.35Å |
| 535 | V | 78.9 | Confident | 71.4 | Confident | 86 Ų | 86 | 109.8 Ų | 109.8 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.4 | -41.9 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | I531 I532 T533 K538 K539 | I531-V535 HydrophobicContact CG2-CG2 4.4Å; I531-V535 WeakPolarHBondContact O-CB 3.49Å; I531-V535 VanDerWaalsContact O-CG2 3.27Å; I531-V535 WeakPolarHBondContact O-CG2 3.38Å; I531-V535 PolarHBondContact O-N 3.33Å; I532-V535 PolarHBondContact O-N 3.03Å; T533-V535 VanDerWaalsContact C-N 3.34Å; T533-V535 PolarHBondContact O-N 3.47Å; V535-K538 CarbonylContact O-C 3.44Å; V535-K538 PolarHBondContact O-N 2.67Å; V535-K539 VanDerWaalsContact O-CB 3.32Å; V535-K539 WeakPolarHBondContact O-CB 3.28Å; V535-K539 PolarHBondContact O-N 3.37Å |
| 536 | L | 71.6 | Confident | 68.9 | Low | 93 Ų | 93 | 110.7 Ų | 110.7 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.7 | -47.5 | 174.3 | -74.7 | 169.8 | 0 | 0 | 0 | 111.3 | I532 T533 K538 K539 N540 | I532-L536 HydrophobicContact CG2-CD1 3.69Å; I532-L536 HydrophobicContact CG2-CG 4.32Å; I532-L536 VanDerWaalsContact O-CB 3.32Å; I532-L536 WeakPolarHBondContact O-CB 3.49Å; I532-L536 VanDerWaalsContact O-CG 3.3Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.3Å; T533-L536 PolarHBondContact O-N 2.85Å; L536-K538 PolarHBondContact O-N 3.48Å; L536-K539 PolarHBondContact O-N 3.38Å; L536-N540 PolarHBondContact O-N 2.86Å |
| 537 | C | 62.8 | Low | 66.5 | Low | 77 Ų | 77 | 113 Ų | 113 | 52% | 0.52 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.9 | -15.2 | 174.6 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | T533 K541 | T533-C537 WeakPolarHBondContact O-CB 3.47Å; T533-C537 PolarHBondContact O-N 3.14Å; T533-C537 PolarHBondContact O-SG 2.94Å; C537-K541 WeakPolarHBondContact O-CB 3.41Å; C537-K541 WeakPolarHBondContact O-CD 3.34Å; C537-K541 VanDerWaalsContact O-CG 3.27Å; C537-K541 WeakPolarHBondContact O-CG 3.24Å |
| 538 | K | 65.1 | Low | 64.1 | Low | 168 Ų | 168 | 112.5 Ų | 112.5 | 73% | 0.73 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -87.9 | -21.6 | 168.4 | -173.9 | 174.8 | -179.5 | -178.2 | 0 | 112.6 | A534 V535 L536 | A534-K538 WeakPolarHBondContact O-CB 3.39Å; A534-K538 PolarHBondContact O-N 3.35Å; V535-K538 CarbonylContact O-C 3.44Å; V535-K538 PolarHBondContact O-N 2.67Å; L536-K538 PolarHBondContact O-N 3.48Å |
| 539 | K | 60.2 | Low | 61.7 | Low | 151 Ų | 151 | 116.6 Ų | 116.6 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -90.8 | -43.3 | 178.6 | -167.1 | 174.5 | -179.6 | -177.4 | 0 | 112.6 | V535 L536 K541 | V535-K539 VanDerWaalsContact O-CB 3.32Å; V535-K539 WeakPolarHBondContact O-CB 3.28Å; V535-K539 PolarHBondContact O-N 3.37Å; L536-K539 PolarHBondContact O-N 3.38Å; K539-K541 PolarHBondContact O-N 3.02Å |
| 540 | N | 56 | Low | 59.1 | Low | 102 Ų | 102 | 115.2 Ų | 115.2 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -74.9 | -2.6 | 172.7 | -79.5 | 22 | 0 | 0 | 0 | 113.5 | L536 N542 D543 | L536-N540 PolarHBondContact O-N 2.86Å; N540-N542 PolarHBondContact O-N 3.4Å; N540-N542 VanDerWaalsContact O-N 3.1Å; N540-D543 PolarHBondContact O-N 2.93Å |
| 541 | K | 51.5 | Low | 56.8 | Low | 168 Ų | 168 | 117.1 Ų | 117.1 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -68 | -3.5 | 176.9 | -117.3 | 176.6 | -175.4 | -178.6 | 0 | 114.3 | C537 K539 | C537-K541 WeakPolarHBondContact O-CB 3.41Å; C537-K541 WeakPolarHBondContact O-CD 3.34Å; C537-K541 VanDerWaalsContact O-CG 3.27Å; C537-K541 WeakPolarHBondContact O-CG 3.24Å; K539-K541 PolarHBondContact O-N 3.02Å |
| 542 | N | 52.1 | Low | 54.6 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -87.8 | -31.4 | 175 | -65.2 | -1.8 | 0 | 0 | 0 | 112.6 | N540 | N540-N542 PolarHBondContact O-N 3.4Å; N540-N542 VanDerWaalsContact O-N 3.1Å |
| 543 | D | 45.5 | Very low | 52.1 | Low | 130 Ų | 130 | 121.7 Ų | 121.7 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -25.6 | -165.3 | -58.1 | -44 | 0 | 0 | 0 | 114 | N540 K545 | N540-D543 PolarHBondContact O-N 2.93Å; D543-K545 VanDerWaalsContact C-N 3.35Å; D543-K545 PolarHBondContact O-N 3.36Å |
| 544 | F | 43.6 | Very low | 50.7 | Low | 204 Ų | 204 | 123.3 Ų | 123.3 | 90% | 0.895 | 68% | 0.68 | S | S | * | * | trans | -93.4 | 68.2 | 169.7 | -92.5 | -86.3 | 0 | 0 | 0 | 111.9 | ||||
| 545 | K | 40.6 | Very low | 48.4 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | trans | -120.2 | 95.7 | 165.8 | -172.9 | -170.6 | 178.9 | -65.9 | 0 | 110.2 | D543 D547 | D543-K545 VanDerWaalsContact C-N 3.35Å; D543-K545 PolarHBondContact O-N 3.36Å; K545-D547 IonicContact NZ-OD1 2.72Å; K545-D547 IonicContact NZ-OD2 3.25Å; K545-D547 PolarHBondContact NZ-OD2 2.92Å | ||
| 546 | A | 41.7 | Very low | 46.3 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -164.1 | 147.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 547 | D | 38.5 | Very low | 44.9 | Very low | 117 Ų | 117 | 137 Ų | 137 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | -168.1 | 168.3 | -51.5 | -119.1 | -55.6 | 0 | 0 | 0 | 106.8 | K545 | K545-D547 IonicContact NZ-OD1 2.72Å; K545-D547 IonicContact NZ-OD2 3.25Å; K545-D547 PolarHBondContact NZ-OD2 2.92Å | |||
| 548 | A | 39.5 | Very low | 44.2 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | 65.9 | 155.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 549 | I | 40.5 | Very low | 43.2 | Very low | 169 Ų | 169 | 137 Ų | 137 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | cis | -119 | 125.2 | 0.9 | -65.4 | 167.2 | 0 | 0 | 0 | 107.1 | ||||
| 550 | G | 35.9 | Very low | 42.5 | Very low | 65 Ų | 65 | 138.6 Ų | 138.6 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | 97.8 | 93.3 | 92.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 551 | N | 36.9 | Very low | 41.4 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | cis | 80.3 | 154.1 | 47.7 | -158.9 | 8.3 | 0 | 0 | 0 | 113.2 | ||||
| 552 | L | 40.8 | Very low | 40.7 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 77.2 | 145.6 | -175.5 | -46.7 | 178.5 | 0 | 0 | 0 | 115.2 | ||||
| 553 | N | 34.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | 176 | 179.4 | -34.4 | -114.5 | -37.2 | 0 | 0 | 0 | 107.4 | ||||
| 554 | P | 50.9 | Low | 39.2 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -134.6 | 152.2 | -24.8 | 33.1 | -14 | 0 | 0 | 0 | 115.8 | ||||
| 555 | R | 29.8 | Very low | 38.9 | Very low | 239 Ų | 239 | 135.7 Ų | 135.7 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | 62.3 | 124.9 | 131.5 | -164.3 | 169.5 | -172.3 | 91.9 | -1.2 | 123.2 | ||||
| 556 | A | 34.3 | Very low | 38.5 | Very low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | 74.1 | 87.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 557 | K | 42.7 | Very low | 38.2 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | 12.2 | 137.5 | 122.6 | -64.2 | -178 | -178.5 | -177.8 | 0 | 117.5 | |||||
| 558 | P | 46.7 | Very low | 38 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | -143.8 | 160.8 | 55.1 | 39.7 | -22.3 | 0 | 0 | 0 | 118.9 | |||||
| 559 | V | 45.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 57.5 | 116.2 | 150 | 174.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 560 | Q | 45.3 | Very low | 37.2 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 53.7 | 105.7 | 144.6 | -168.9 | 174.3 | -3.1 | 0 | 0 | 119.2 | ||||
| 561 | G | 33.2 | Very low | 37.2 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -162.7 | 133.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 562 | F | 35.4 | Very low | 37 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -63.7 | 162.4 | -178.6 | -94.4 | -123.3 | 0 | 0 | 0 | 117.2 | ||||
| 563 | D | 35.4 | Very low | 36.4 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 65% | 0.647 | 77% | 0.768 | S | S | * | * | trans | 96.1 | 144.5 | 130.3 | -87.1 | -4.1 | 0 | 0 | 0 | 127.1 | ||||
| 564 | Y | 32.2 | Very low | 36.3 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 11.6 | 100.4 | 159.7 | -64.4 | -68.9 | 0 | 0 | 0 | 122 | ||||
| 565 | A | 36.7 | Very low | 35.2 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | 61 | -170.9 | 101.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 566 | K | 32.3 | Very low | 35.4 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | 87.8 | 132.7 | 161 | -152.9 | -179 | -176.6 | -178.6 | 0 | 116.1 | ||||
| 567 | Q | 34.8 | Very low | 35.7 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 59% | 0.589 | 78% | 0.784 | S | S | * | * | cis | -176.7 | 170.3 | -16.4 | -174.2 | 175.8 | -5 | 0 | 0 | 107.7 | ||||
| 568 | H | 33.9 | Very low | 35.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | trans | 88.8 | 137.6 | 158.9 | -51.5 | -74.4 | 0 | 0 | 0 | 120.9 | ||||
| 569 | L | 34.5 | Very low | 34.6 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 39.4 | 144.7 | 138.8 | -77.5 | 54.7 | 0 | 0 | 0 | 120.8 | ||||
| 570 | G | 28.6 | Very low | 34.1 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | 153.3 | 169.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 571 | Q | 37.4 | Very low | 33.1 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 64.4 | 150.4 | -180 | -74.8 | -178.7 | -59.4 | 0 | 0 | 115.3 | ||||
| 572 | Q | 31.7 | Very low | 32.9 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | 172.7 | 150.2 | -3.3 | 166.9 | 172.4 | -20.5 | 0 | 0 | 106 | ||||
| 573 | G | 29.6 | Very low | 32.5 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 90.2 | 152.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 574 | G | 30.9 | Very low | 32 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | 144 | 95.1 | -12 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 575 | D | 28.3 | Very low | 32.1 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | 49.5 | 108.3 | 168.5 | -87.6 | 8.6 | 0 | 0 | 0 | 120.7 | ||||
| 576 | E | 33.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -170 | 156.6 | 151.3 | -113.6 | 174.8 | 166.7 | 0 | 0 | 106.9 | ||||
| 577 | E | 42.1 | Very low | 31.5 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -138 | 135.9 | 8.6 | -105.3 | 179.9 | 111.7 | 0 | 0 | 112 | ||||
| 578 | T | 31.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | 9.3 | 130.8 | 134 | 45.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 579 | L | 33.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -59.8 | 152.1 | 133.8 | -57.7 | 170 | 0 | 0 | 0 | 108.9 | ||||
| 580 | P | 34.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | -163.4 | -175.1 | 53.8 | 46.2 | -23.7 | 0 | 0 | 0 | 119.3 | |||||
| 581 | V | 25.1 | Very low | 30.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 20.5 | 126.2 | 136.4 | -179.9 | 0 | 0 | 0 | 0 | 120.8 | Q583 | V581-Q583 HydrophobicContact CG1-CG 4.02Š| ||
| 582 | S | 29 | Very low | 29.7 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | -163.5 | 130 | 125 | -76.5 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 583 | Q | 26 | Very low | 29.6 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | 59.3 | 138.1 | 48.3 | -64 | -163.1 | -84.8 | 0 | 0 | 113.8 | V581 | V581-Q583 HydrophobicContact CG1-CG 4.02Š| ||
| 584 | D | 25.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | cis | -159.5 | 154.9 | -20.4 | -108.2 | -23.2 | 0 | 0 | 0 | 107.3 | ||||
| 585 | T | 34.5 | Very low | 29 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -134.6 | 110.2 | 163.6 | -47.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 586 | L | 27.3 | Very low | 29 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 154.5 | 179.7 | -66.7 | 159.6 | 0 | 0 | 0 | 111.1 | ||||
| 587 | V | 28.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | cis | -141.2 | 134.9 | 41 | 174.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 588 | M | 23.2 | Very low | 27.7 | Very low | 159 Ų | 159 | 132 Ų | 132 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 12 | 117.9 | 156.1 | -64.2 | 150 | 52 | 0 | 0 | 120.5 | ||||
| 589 | S | 25.6 | Very low | 27.5 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | -161.4 | 147.9 | 97.6 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 590 | L | 29.6 | Very low | 27 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | -69.4 | 161.1 | -178.1 | -82.2 | 67.3 | 0 | 0 | 0 | 112.2 | ||||
| 591 | Q | 28 | Very low | 26.7 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | cis | -163.1 | 164.8 | 7.1 | -127.8 | 174.6 | -15.5 | 0 | 0 | 113.2 | ||||
| 592 | I | 25.8 | Very low | 26.7 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 71.1 | 99.5 | 147.1 | -72.3 | 158.9 | 0 | 0 | 0 | 119.8 | ||||
| 593 | R | 28.9 | Very low | 26.5 | Very low | 207 Ų | 207 | 136.3 Ų | 136.3 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -71.5 | 165.2 | 143 | -77.4 | -179.6 | 73.3 | 171.9 | -2.9 | 110.3 | ||||
| 594 | D | 24.3 | Very low | 26.5 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 54% | 0.535 | 72% | 0.724 | S | S | . | * | cis | -155.9 | 147.6 | 10.6 | -125.7 | 6.9 | 0 | 0 | 0 | 113.6 | ||||
| 595 | T | 24.2 | Very low | 26.5 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | trans | 16.3 | 127 | 140.2 | 60.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 596 | S | 28.2 | Very low | 25.8 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | -70.1 | 150.1 | 129.8 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 597 | L | 24.9 | Very low | 25.8 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | 176.9 | 148.1 | 152.9 | -92.8 | 149.1 | 0 | 0 | 0 | 107.2 | ||||
| 598 | S | 23.1 | Very low | 25.6 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | cis | 82 | 129.8 | 10 | -163.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 599 | L | 26.9 | Very low | 25.6 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | 85.8 | 147.3 | 155.1 | -139 | 74.4 | 0 | 0 | 0 | 121.5 | ||||
| 600 | E | 23.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | trans | 68.1 | 152.5 | 164.3 | -63.6 | -155.1 | 119.9 | 0 | 0 | 117.9 | ||||
| 601 | K | 29 | Very low | 25.4 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 74% | 0.735 | 71% | 0.708 | S | S | * | * | cis | -161.8 | 166.8 | 2.6 | -119.3 | 163.8 | 176.8 | 135.7 | 0 | 106.9 | ||||
| 602 | A | 25 | Very low | 25.4 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | -165.4 | 176.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 603 | L | 24.4 | Very low | 25.4 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | trans | 78.7 | 157.8 | 144.8 | -76.9 | 164 | 0 | 0 | 0 | 124.3 | ||||
| 604 | Q | 25.5 | Very low | 25.4 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 51% | 0.509 | 71% | 0.712 | S | S | . | * | trans | -84.1 | -178.6 | -175 | -91.3 | -174.5 | -39.6 | 0 | 0 | 114.4 | ||||
| 605 | Q | 25.6 | Very low | 25.5 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 61% | 0.607 | 72% | 0.721 | S | S | * | * | cis | -174 | 148.6 | -19.7 | 162.4 | 174.6 | -24.6 | 0 | 0 | 108 | ||||
| 606 | D | 21.4 | Very low | 25.6 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | 57.6 | 161 | 168.6 | -69.2 | -33 | 0 | 0 | 0 | 117.8 | ||||
| 607 | G | 26 | Very low | 25.6 | Very low | 58 Ų | 58 | 128.6 Ų | 128.6 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | cis | 176 | 152.2 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 608 | T | 24.3 | Very low | 25.8 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 89% | 0.89 | 71% | 0.709 | S | S | * | * | trans | 58.8 | 108.7 | 163.4 | 43.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 609 | A | 23.3 | Very low | 26.1 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | 98.7 | 146.4 | 113.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 610 | N | 24.8 | Very low | 26.1 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | 85.4 | 117 | 154.3 | -82.2 | -53.1 | 0 | 0 | 0 | 122.4 | ||||
| 611 | K | 26.9 | Very low | 26.2 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | 76.4 | 98.3 | 131.2 | -69.8 | 168.8 | -175.8 | 171 | 0 | 121.2 | ||||
| 612 | K | 26.5 | Very low | 26 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | 67.4 | 88.9 | 103.8 | -171.5 | -155.3 | 176.7 | -175.4 | 0 | 118.6 | |||||
| 613 | S | 26 | Very low | 26.2 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | -163 | 145.1 | 125.4 | 69.7 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 614 | H | 28.7 | Very low | 26.9 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | cis | 55.1 | 133.1 | 48.2 | -70.6 | -61.7 | 0 | 0 | 0 | 111.8 | ||||
| 615 | T | 26.6 | Very low | 26.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | cis | -161.5 | 144.4 | 10.3 | -6.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 616 | A | 26.9 | Very low | 27.1 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 65 | 172.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 617 | D | 28.4 | Very low | 27.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | cis | -156.7 | 164.2 | -5 | -139.6 | -21.1 | 0 | 0 | 0 | 114.1 | ||||
| 618 | K | 29.3 | Very low | 27.6 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | trans | 53.7 | 118.6 | 147 | -78.9 | 149.7 | -166.1 | 151.6 | 0 | 123.9 | ||||
| 619 | H | 28.4 | Very low | 28 | Very low | 160 Ų | 160 | 137 Ų | 137 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | 84.8 | 161.1 | 120.2 | -73.6 | -173.8 | 0 | 0 | 0 | 121.3 | |||||
| 620 | K | 27.3 | Very low | 28.3 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | cis | 163.7 | 96.3 | -33.4 | 173.3 | -169.7 | 176.6 | -176.3 | 0 | 110 | ||||
| 621 | S | 24.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -168.7 | 120.7 | 168.9 | 38.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 622 | K | 26.8 | Very low | 28.3 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | 81.9 | 133.4 | 88 | -82.2 | -167.7 | 170.4 | -170.6 | 0 | 115 | |||||
| 623 | L | 27.2 | Very low | 28.5 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -79.6 | -175.7 | 171.7 | -56.3 | 163.2 | 0 | 0 | 0 | 110.5 | ||||
| 624 | P | 40 | Very low | 28.7 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | cis | -141.3 | -173.2 | 4.4 | 44.7 | -26.3 | 0 | 0 | 0 | 117 | ||||
| 625 | S | 25.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 59.8 | 163.9 | 154.2 | -79 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 626 | E | 30.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | cis | -144.1 | -174.8 | -2.3 | -147.6 | 120.6 | -96 | 0 | 0 | 111.3 | ||||
| 627 | D | 29.7 | Very low | 28.9 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -82.1 | 168.2 | -172.7 | -64.3 | -75.3 | 0 | 0 | 0 | 116.7 | ||||
| 628 | G | 28.7 | Very low | 28.9 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | -169.4 | 92.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 629 | S | 31.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -124.8 | 141.4 | -172.2 | -179 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 630 | V | 30.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | -154.4 | 127.6 | 171.6 | -125.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 631 | I | 26.5 | Very low | 28.5 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | 32.9 | 139.8 | 149.4 | 68.1 | -171.9 | 0 | 0 | 0 | 122.1 | ||||
| 632 | S | 25.9 | Very low | 28.7 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | 79.1 | 151.2 | 22.3 | 97.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 633 | D | 28.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | cis | -152 | 160.1 | 5.4 | -84.5 | -66.3 | 0 | 0 | 0 | 110.3 | ||||
| 634 | E | 31.6 | Very low | 28.6 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -155.3 | 118.1 | 139.1 | -165 | 160.8 | 174.6 | 0 | 0 | 114.6 | ||||
| 635 | S | 27.1 | Very low | 27.9 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | 47.4 | 104.2 | 144.4 | -141.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 636 | E | 28.3 | Very low | 28 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | 71.5 | 147.8 | 80.6 | -76.9 | -157 | 120.3 | 0 | 0 | 115.2 | |||||
| 637 | K | 31.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 133 Ų | 133 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | -164.6 | 169 | 21.1 | -132.7 | 167.2 | 177.5 | 119.4 | 0 | 109.2 | ||||
| 638 | L | 28.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | cis | -145.3 | 136.1 | 15.8 | -90.3 | 161 | 0 | 0 | 0 | 111.7 | ||||
| 639 | N | 25.5 | Very low | 27.7 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 64.9 | 138 | 135.4 | -67.6 | -7 | 0 | 0 | 0 | 123.7 | ||||
| 640 | S | 26.7 | Very low | 27.3 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | cis | -167.9 | 156.7 | -14.2 | -159.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 641 | K | 24.1 | Very low | 27 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 73% | 0.726 | 74% | 0.74 | S | S | * | * | trans | 86.6 | 135.8 | 162.4 | -55.2 | 173.2 | -174.4 | 172.3 | 0 | 118.4 | ||||
| 642 | R | 27.9 | Very low | 26.8 | Very low | 232 Ų | 232 | 135.5 Ų | 135.5 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | cis | -168 | 106.6 | -19 | 174.9 | 175.5 | -83.5 | -166.4 | -7.6 | 111.7 | ||||
| 643 | G | 26.9 | Very low | 26.6 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | 53 | -177 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 644 | L | 25.2 | Very low | 26.4 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | cis | -164.7 | 164.9 | -34.8 | -153.3 | 73.2 | 0 | 0 | 0 | 109.6 | ||||
| 645 | T | 26.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 72.5 | 151.7 | 157.4 | 40.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 646 | V | 27.6 | Very low | 26 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -129.1 | 137.3 | -177.6 | 160.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 647 | P | 32.9 | Very low | 26.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | -132.5 | 150.5 | 107.1 | 9 | 14 | 0 | 0 | 0 | 112 | |||||
| 648 | K | 24.7 | Very low | 26.1 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | cis | 74.3 | 143.3 | 49.8 | -159.5 | -177.2 | -177.6 | 178.9 | 0 | 112.8 | ||||
| 649 | V | 24 | Very low | 26 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | 106.7 | 107.9 | 164.2 | -177.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 650 | T | 23.9 | Very low | 26.3 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | 45.1 | 124.3 | 148.7 | 62.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 651 | A | 23.4 | Very low | 26.4 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | 47.8 | 141.8 | 113.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 652 | Q | 21.9 | Very low | 26.7 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | 64 | 115.1 | 143.4 | -89.5 | -173.6 | -68.2 | 0 | 0 | 121.9 | ||||
| 653 | Q | 22.1 | Very low | 26.8 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | 77.9 | 93.6 | 114.3 | -167.3 | 177.1 | -53.8 | 0 | 0 | 120.4 | |||||
| 654 | K | 25.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | 72.9 | 137.9 | 121.7 | -166.9 | -161.7 | 174.4 | -174.4 | 0 | 119.1 | |||||
| 655 | S | 25.2 | Very low | 26.7 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | trans | 69.2 | 152.3 | 156.5 | 43.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 656 | T | 24.6 | Very low | 26.7 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | cis | -168.4 | 155 | -28.9 | -62.5 | 0 | 0 | 0 | 0 | 107.1 | L697 | T656-L697 WeakPolarHBondContact OG1-CD2 3.41Š| ||
| 657 | K | 32.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 132 Ų | 132 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | trans | 82.7 | 130.5 | 155.3 | -146.3 | 177.9 | -178.2 | -99.7 | 0 | 118.7 | ||||
| 658 | E | 28.1 | Very low | 26.6 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | 155.2 | 140 | 109 | -155.5 | 76.7 | -92.9 | 0 | 0 | 114.9 | |||||
| 659 | E | 27.8 | Very low | 26.8 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | 27.8 | 111 | 162.4 | -76 | -164.2 | 87.6 | 0 | 0 | 127 | ||||
| 660 | A | 30.7 | Very low | 27.1 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | 57.5 | 135.2 | 100.9 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 661 | R | 29.3 | Very low | 27.3 | Very low | 208 Ų | 208 | 126 Ų | 126 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | 176.2 | 137.8 | 103.7 | -95 | 173.6 | -174.5 | -168.9 | 3.7 | 115.8 | |||||
| 662 | R | 29.8 | Very low | 27.6 | Very low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | 60.8 | 140.4 | 141.5 | -77.8 | -173.2 | 178.7 | -171.9 | 0.1 | 119.7 | ||||
| 663 | R | 30.5 | Very low | 27.9 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | cis | 170.7 | 149.2 | 22.8 | 160.8 | -179.5 | -125.7 | 167.3 | 7 | 112.8 | ||||
| 664 | D | 26.4 | Very low | 28.2 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 47.3 | 141.8 | 154.5 | -48.9 | -18.1 | 0 | 0 | 0 | 124.6 | ||||
| 665 | G | 23.9 | Very low | 28.3 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | trans | 157.2 | 119.9 | 164 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 666 | G | 25.8 | Very low | 28.7 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -118.8 | -170.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 667 | G | 28 | Very low | 29.7 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | 164.7 | 152.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 668 | G | 29.7 | Very low | 29.5 | Very low | 85 Ų | 85 | 138 Ų | 138 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 75.5 | 167.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 669 | D | 28.9 | Very low | 29.5 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | cis | -165.8 | 169.3 | -23 | -179.7 | 30.6 | 0 | 0 | 0 | 108.4 | ||||
| 670 | G | 30.7 | Very low | 29.5 | Very low | 58 Ų | 58 | 141.9 Ų | 141.9 | 60% | 0.598 | 81% | 0.806 | S | S | * | * | trans | 126.4 | 80.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 671 | S | 27.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 46.5 | 122.6 | 137.5 | -72.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 672 | K | 30.6 | Very low | 29.2 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | 65.2 | 125.2 | 131.6 | -64.7 | 176.4 | 179.7 | 170.2 | 0 | 122.3 | ||||
| 673 | G | 27.4 | Very low | 29 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -162 | 152.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 674 | R | 28.5 | Very low | 28.8 | Very low | 261 Ų | 261 | 135.1 Ų | 135.1 | 99% | 0.985 | 81% | 0.808 | S | S | * | * | trans | -103.5 | 145.1 | 172.8 | -85.1 | -175.3 | 168.6 | -152.6 | 0.3 | 110.2 | ||||
| 675 | G | 28.8 | Very low | 28.8 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 153.8 | 125.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 676 | R | 32.2 | Very low | 29.2 | Very low | 243 Ų | 243 | 136.8 Ų | 136.8 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -94.5 | 166.1 | 160.8 | -102.8 | -168.8 | 153.5 | -154 | -3.6 | 108.5 | ||||
| 677 | P | 46.8 | Very low | 29.9 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 57% | 0.565 | 80% | 0.796 | S | S | * | * | cis | -141.5 | -168.6 | -29.6 | 40.8 | -22.8 | 0 | 0 | 0 | 113.7 | ||||
| 678 | D | 28.1 | Very low | 29.8 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | 72.6 | 133.7 | 152.7 | -56.5 | -24.5 | 0 | 0 | 0 | 120.8 | ||||
| 679 | R | 27.7 | Very low | 29.8 | Very low | 229 Ų | 229 | 146.2 Ų | 146.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -147.9 | 136.7 | -168.6 | -159.2 | -179 | -174.8 | -171.8 | 1.2 | 110.4 | ||||
| 680 | L | 27.8 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | 17.5 | 124 | 147 | -52.4 | 174.1 | 0 | 0 | 0 | 118.1 | ||||
| 681 | L | 26.3 | Very low | 29.6 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | 67.1 | 125.4 | 66.3 | -66.2 | -178.5 | 0 | 0 | 0 | 115.1 | |||||
| 682 | L | 26.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 46.1 | 154.3 | 134.5 | -53.8 | 173.1 | 0 | 0 | 0 | 121.2 | ||||
| 683 | L | 26.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | 178.9 | 146 | -34.5 | -141.3 | 146.4 | 0 | 0 | 0 | 105.8 | ||||
| 684 | S | 25 | Very low | 29.6 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 68.5 | 156.8 | 172.4 | -59.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 685 | S | 27.5 | Very low | 29.6 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -159.8 | 173.2 | -4 | 30.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 686 | D | 31.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -39 | 165 | 168.3 | -92.6 | -54 | 0 | 0 | 0 | 117.5 | ||||
| 687 | P | 41.2 | Very low | 29.6 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -154.3 | 171.8 | 41.6 | 42.5 | -20.3 | 0 | 0 | 0 | 122 | ||||
| 688 | Y | 26.9 | Very low | 28.8 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | 49.2 | 135.4 | 143.4 | -87.8 | -89.1 | 0 | 0 | 0 | 126.6 | ||||
| 689 | D | 28.5 | Very low | 28.6 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 42.6 | 134.8 | 147.5 | -85.7 | -30.2 | 0 | 0 | 0 | 124.6 | ||||
| 690 | T | 26 | Very low | 28.4 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | 173.9 | 117.6 | 111.6 | -72.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 691 | S | 30.1 | Very low | 28.2 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 69.9 | 149.5 | 150.8 | 81.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 692 | S | 27.9 | Very low | 28.1 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | 50.6 | 152.5 | 139.8 | -61.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 693 | G | 29.1 | Very low | 28 | Very low | 59 Ų | 59 | 124.8 Ų | 124.8 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | cis | 137.6 | 118.1 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 694 | S | 28.9 | Very low | 28 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 67.6 | 163.2 | -166.1 | 85.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 695 | L | 29 | Very low | 28 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 88% | 0.88 | 72% | 0.724 | S | S | * | * | cis | -135.6 | 178.2 | 17.2 | -117.6 | 174.5 | 0 | 0 | 0 | 112.6 | ||||
| 696 | Q | 28.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -102.8 | 152.3 | 180 | -112.1 | -170.6 | 21.6 | 0 | 0 | 113.7 | ||||
| 697 | L | 33.1 | Very low | 27.3 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 39% | 0.393 | 73% | 0.727 | S | S | . | * | trans | 69.2 | 120 | 158 | -90.2 | 84.4 | 0 | 0 | 0 | 121 | T656 | T656-L697 WeakPolarHBondContact OG1-CD2 3.41Š| ||
| 698 | I | 28.7 | Very low | 26.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | 44.7 | 119.4 | 105.3 | -61.8 | 176.7 | 0 | 0 | 0 | 115.1 | |||||
| 699 | S | 23.4 | Very low | 26.2 | Very low | 83 Ų | 83 | 125 Ų | 125 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | cis | -172.2 | 168.3 | 49.3 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 700 | I | 24.9 | Very low | 26.2 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 67.3 | 130.6 | 145 | -74.8 | 162.1 | 0 | 0 | 0 | 116.1 | ||||
| 701 | K | 22.5 | Very low | 26 | Very low | 159 Ų | 159 | 126 Ų | 126 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | cis | -160 | 142.9 | -0.9 | -116.3 | 175.9 | -169.8 | 177.2 | 0 | 108.5 | V703 | K701-V703 HydrophobicContact CD-CB 4.36Å; K701-V703 HydrophobicContact CD-CG2 4.23Å; K701-V703 HydrophobicContact CG-CG2 4.05Å | ||
| 702 | P | 24.2 | Very low | 26.5 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -105.6 | 90.7 | 150.8 | 33.4 | -24.6 | 0 | 0 | 0 | 109.5 | ||||
| 703 | V | 26.2 | Very low | 26.3 | Very low | 103 Ų | 103 | 125 Ų | 125 | 62% | 0.624 | 74% | 0.737 | S | S | * | * | trans | -144.1 | 93.6 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | K701 | K701-V703 HydrophobicContact CD-CB 4.36Å; K701-V703 HydrophobicContact CD-CG2 4.23Å; K701-V703 HydrophobicContact CG-CG2 4.05Å | ||
| 704 | T | 25.1 | Very low | 26.1 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | 171.3 | 152.5 | 132.5 | 36 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 705 | A | 25.7 | Very low | 26 | Very low | 82 Ų | 82 | 127.4 Ų | 127.4 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | cis | -128.9 | 140.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 706 | Q | 21.6 | Very low | 25.8 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | 49.6 | 110.2 | 73.6 | -79.8 | -171.9 | -13.9 | 0 | 0 | 114.7 | |||||
| 707 | T | 23.1 | Very low | 26 | Very low | 135 Ų | 135 | 129 Ų | 129 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | trans | -139 | 108.7 | 134.2 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 708 | N | 22.9 | Very low | 25.8 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -171.1 | 84.5 | 140.9 | -102.7 | -0.5 | 0 | 0 | 0 | 109.1 | ||||
| 709 | C | 21.3 | Very low | 26 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 90% | 0.899 | 77% | 0.766 | S | S | * | * | trans | -156.9 | 141.9 | 151.5 | -112.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 710 | S | 27.7 | Very low | 26.3 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -87.8 | 153.5 | 172.6 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 711 | H | 23.2 | Very low | 26.8 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | 73.2 | 157.3 | 171.9 | -66.4 | -74.5 | 0 | 0 | 0 | 117.8 | ||||
| 712 | P | 40.1 | Very low | 27.7 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -124.5 | 179.3 | -149.8 | 43.4 | -30.5 | 0 | 0 | 0 | 116.2 | ||||
| 713 | A | 23.2 | Very low | 28.8 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 81 | 118.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 714 | S | 25.3 | Very low | 29.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 43.3 | 129 | 142.5 | 59.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 715 | S | 26.9 | Very low | 30.7 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 177.5 | 159.8 | 59.2 | -163.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 716 | D | 24.3 | Very low | 32 | Very low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 57 | -178.1 | 160.3 | -135.3 | -16.8 | 0 | 0 | 0 | 120.8 | ||||
| 717 | R | 32.9 | Very low | 33.7 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -82.5 | 160.9 | -149.1 | -77.9 | 155 | 173 | 117.2 | -14.7 | 119.8 | ||||
| 718 | S | 27.8 | Very low | 35.1 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 96 | 121.9 | 127.4 | 49.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 719 | Q | 33.5 | Very low | 36.4 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | 72.2 | 165.7 | 140.9 | -67.6 | -161.2 | 13.2 | 0 | 0 | 121.5 | ||||
| 720 | D | 30.3 | Very low | 38.2 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | 64.2 | 128 | 175.7 | -65.2 | -21.1 | 0 | 0 | 0 | 122.1 | ||||
| 721 | S | 35.8 | Very low | 39.5 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | trans | -163.9 | 65.9 | 171.1 | -73.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 722 | A | 41.5 | Very low | 41.2 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -116.8 | 20.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 723 | I | 46.5 | Very low | 42.2 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | -124 | 124.2 | 179.7 | -54.7 | 91.1 | 0 | 0 | 0 | 109 | ||||
| 724 | I | 47.6 | Very low | 44.2 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 80% | 0.795 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 165.6 | -26 | 157.7 | -92.9 | 158.6 | 0 | 0 | 0 | 110.9 | G726 | I724-G726 PolarHBondContact O-N 3.48Š|
| 725 | N | 44.2 | Very low | 45.7 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -75.1 | 15.4 | 175.7 | -79.6 | -26.7 | 0 | 0 | 0 | 115 | N729 | N725-N729 PolarHBondContact O-ND2 3.18Š|
| 726 | G | 53.1 | Low | 48 | Very low | 46 Ų | 46 | 126.2 Ų | 126.2 | 47% | 0.474 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -82.4 | -50.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | I724 N729 L730 | I724-G726 PolarHBondContact O-N 3.48Å; G726-N729 WeakPolarHBondContact O-CB 3.5Å; G726-N729 PolarHBondContact O-N 2.74Å; G726-L730 PolarHBondContact O-N 3.38Å; G726-L730 VanDerWaalsContact O-N 3.08Å |
| 727 | E | 56.3 | Low | 50.5 | Low | 164 Ų | 164 | 124 Ų | 124 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75 | -39.1 | -160.8 | -60.2 | -178.4 | 147.1 | 0 | 0 | 113.7 | N729 L730 A731 | E727-N729 VanDerWaalsContact C-N 3.26Å; E727-N729 PolarHBondContact O-N 3.24Å; E727-L730 WeakPolarHBondContact O-CA 3.43Å; E727-L730 VanDerWaalsContact O-CB 3.3Å; E727-L730 WeakPolarHBondContact O-CB 3.29Å; E727-L730 PolarHBondContact O-N 2.9Å; E727-A731 PolarHBondContact O-N 3.31Å; E727-A731 VanDerWaalsContact O-N 3.1Å |
| 728 | V | 51.9 | Low | 52.6 | Low | 112 Ų | 112 | 118.6 Ų | 118.6 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.4 | -33.9 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | L732 | V728-L732 HydrophobicContact CG1-CD1 4.43Å; V728-L732 PolarHBondContact O-N 2.86Å |
| 729 | N | 51.1 | Low | 55.1 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 58% | 0.578 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.5 | -35.6 | 171.6 | -82 | -63.8 | 0 | 0 | 0 | 111.8 | N725 G726 E727 K733 | N725-N729 PolarHBondContact O-ND2 3.18Å; G726-N729 WeakPolarHBondContact O-CB 3.5Å; G726-N729 PolarHBondContact O-N 2.74Å; E727-N729 VanDerWaalsContact C-N 3.26Å; E727-N729 PolarHBondContact O-N 3.24Å; N729-K733 WeakPolarHBondContact O-CB 3.29Å; N729-K733 PolarHBondContact O-N 2.84Å |
| 730 | L | 58.1 | Low | 57.1 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.6 | -46.8 | 178.2 | -153.5 | 76.3 | 0 | 0 | 0 | 111.7 | G726 E727 K733 Q734 | G726-L730 PolarHBondContact O-N 3.38Å; G726-L730 VanDerWaalsContact O-N 3.08Å; E727-L730 WeakPolarHBondContact O-CA 3.43Å; E727-L730 VanDerWaalsContact O-CB 3.3Å; E727-L730 WeakPolarHBondContact O-CB 3.29Å; E727-L730 PolarHBondContact O-N 2.9Å; L730-K733 PolarHBondContact O-N 2.96Å; L730-Q734 WeakPolarHBondContact O-CB 3.4Å; L730-Q734 PolarHBondContact O-N 3.37Å |
| 731 | A | 56.7 | Low | 59.8 | Low | 61 Ų | 61 | 118 Ų | 118 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.2 | -42.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E727 K735 | E727-A731 PolarHBondContact O-N 3.31Å; E727-A731 VanDerWaalsContact O-N 3.1Å; A731-K735 PolarHBondContact O-N 3.4Å |
| 732 | L | 57.9 | Low | 62 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 60% | 0.597 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.4 | -38.8 | 175.1 | -74.3 | 172.1 | 0 | 0 | 0 | 111.7 | V728 K735 S736 | V728-L732 HydrophobicContact CG1-CD1 4.43Å; V728-L732 PolarHBondContact O-N 2.86Å; L732-K735 PolarHBondContact O-N 2.84Å; L732-S736 PolarHBondContact O-N 2.76Å |
| 733 | K | 61 | Low | 63.6 | Low | 131 Ų | 131 | 118.9 Ų | 118.9 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -46.6 | 176 | -171.2 | 168.4 | -176.6 | 179.7 | 0 | 111.6 | N729 L730 K735 S736 D737 | N729-K733 WeakPolarHBondContact O-CB 3.29Å; N729-K733 PolarHBondContact O-N 2.84Å; L730-K733 PolarHBondContact O-N 2.96Å; K733-K735 VanDerWaalsContact C-N 3.29Å; K733-K735 PolarHBondContact O-N 3.04Å; K733-S736 CarbonylContact O-C 3.58Å; K733-S736 PolarHBondContact O-N 3.16Å; K733-S736 PolarHBondContact O-OG 3.1Å; K733-D737 PolarHBondContact O-N 3.3Å |
| 734 | Q | 64.6 | Low | 65.3 | Low | 132 Ų | 132 | 117.6 Ų | 117.6 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -55.3 | -42.4 | 175.4 | -170.8 | -179.3 | 15.7 | 0 | 0 | 112.2 | L730 D737 I738 | L730-Q734 WeakPolarHBondContact O-CB 3.4Å; L730-Q734 PolarHBondContact O-N 3.37Å; Q734-D737 PolarHBondContact O-N 3.18Å; Q734-I738 HydrophobicContact CG-CD1 4.3Å; Q734-I738 WeakPolarHBondContact O-CD1 3.43Å; Q734-I738 VanDerWaalsContact O-CG1 3.28Å; Q734-I738 WeakPolarHBondContact O-CG1 3.19Å; Q734-I738 PolarHBondContact O-N 3.29Å; Q734-I738 VanDerWaalsContact O-N 3.1Å |
| 735 | K | 58.1 | Low | 66.2 | Low | 163 Ų | 163 | 114.6 Ų | 114.6 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -41.3 | 175.6 | -165.4 | 175.6 | -178.6 | -179 | 0 | 112.2 | A731 L732 K733 E739 | A731-K735 PolarHBondContact O-N 3.4Å; L732-K735 PolarHBondContact O-N 2.84Å; K733-K735 VanDerWaalsContact C-N 3.29Å; K733-K735 PolarHBondContact O-N 3.04Å; K735-E739 PolarHBondContact O-N 3.36Å |
| 736 | S | 73.9 | Confident | 67.5 | Low | 60 Ų | 60 | 115.6 Ų | 115.6 | 42% | 0.42 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.2 | -37.5 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | L732 K733 E739 H740 | L732-S736 PolarHBondContact O-N 2.76Å; K733-S736 CarbonylContact O-C 3.58Å; K733-S736 PolarHBondContact O-N 3.16Å; K733-S736 PolarHBondContact O-OG 3.1Å; S736-E739 PolarHBondContact O-N 2.89Å; S736-H740 VanDerWaalsContact O-CB 3.3Å; S736-H740 WeakPolarHBondContact O-CB 3.42Å; S736-H740 PolarHBondContact O-N 3.25Å |
| 737 | D | 78.1 | Confident | 67.7 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 43% | 0.428 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71 | -32.7 | 178.9 | -86.6 | -45.1 | 0 | 0 | 0 | 111.8 | K733 Q734 Y741 | K733-D737 PolarHBondContact O-N 3.3Å; Q734-D737 PolarHBondContact O-N 3.18Å; D737-Y741 WeakPolarHBondContact O-CB 3.21Å; D737-Y741 PolarHBondContact O-N 3.08Å |
| 738 | I | 77.2 | Confident | 67.7 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -43.6 | 170.9 | -70.5 | 164.8 | 0 | 0 | 0 | 111 | Q734 Y741 R742 | Q734-I738 HydrophobicContact CG-CD1 4.3Å; Q734-I738 WeakPolarHBondContact O-CD1 3.43Å; Q734-I738 VanDerWaalsContact O-CG1 3.28Å; Q734-I738 WeakPolarHBondContact O-CG1 3.19Å; Q734-I738 PolarHBondContact O-N 3.29Å; Q734-I738 VanDerWaalsContact O-N 3.1Å; I738-Y741 PolarHBondContact O-N 3.25Å; I738-R742 WeakPolarHBondContact O-CG 2.94Å; I738-R742 PolarHBondContact O-N 2.9Å |
| 739 | E | 78.9 | Confident | 68 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.7 | -43.2 | 177.9 | -173.8 | 159.9 | -129 | 0 | 0 | 111.8 | K735 S736 Y741 R742 N743 | K735-E739 PolarHBondContact O-N 3.36Å; S736-E739 PolarHBondContact O-N 2.89Å; E739-Y741 VanDerWaalsContact C-N 3.34Å; E739-Y741 PolarHBondContact O-N 3.35Å; E739-R742 PolarHBondContact O-N 3.41Å; E739-N743 PolarHBondContact O-N 3.01Å |
| 740 | H | 77.3 | Confident | 68.1 | Low | 122 Ų | 122 | 121.7 Ų | 121.7 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.3 | -37.3 | 174.3 | -172.8 | -129.4 | 0 | 0 | 0 | 111.9 | S736 N743 K744 | S736-H740 VanDerWaalsContact O-CB 3.3Å; S736-H740 WeakPolarHBondContact O-CB 3.42Å; S736-H740 PolarHBondContact O-N 3.25Å; H740-N743 PolarHBondContact O-N 2.91Å; H740-K744 WeakPolarHBondContact O-CB 3.43Å; H740-K744 PolarHBondContact O-N 2.95Å |
| 741 | Y | 86.7 | Confident | 67.5 | Low | 150 Ų | 150 | 124.5 Ų | 124.5 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65 | -42.4 | 172.9 | -178.1 | -97.6 | 0 | 0 | 0 | 112.1 | D737 I738 E739 K744 L745 | D737-Y741 WeakPolarHBondContact O-CB 3.21Å; D737-Y741 PolarHBondContact O-N 3.08Å; I738-Y741 PolarHBondContact O-N 3.25Å; E739-Y741 VanDerWaalsContact C-N 3.34Å; E739-Y741 PolarHBondContact O-N 3.35Å; Y741-K744 CarbonylContact O-C 3.49Å; Y741-K744 WeakPolarHBondContact O-CB 3.39Å; Y741-K744 PolarHBondContact O-N 2.94Å; Y741-L745 HydrophobicContact CD1-CD1 3.94Å; Y741-L745 HydrophobicContact CD2-CD1 4.48Å; Y741-L745 HydrophobicContact CE1-CD1 3.48Å; Y741-L745 VanDerWaalsContact CE1-CD1 3.48Å; Y741-L745 HydrophobicContact CE2-CD1 4.09Å; Y741-L745 HydrophobicContact CG-CD1 4.41Å; Y741-L745 PolarHBondContact O-N 3.44Å |
| 742 | R | 82.1 | Confident | 67 | Low | 162 Ų | 162 | 131 Ų | 131 | 61% | 0.611 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -36.6 | 175.7 | -69 | 179.3 | 89.8 | 155.5 | 6.7 | 112.1 | I738 E739 L745 R746 | I738-R742 WeakPolarHBondContact O-CG 2.94Å; I738-R742 PolarHBondContact O-N 2.9Å; E739-R742 PolarHBondContact O-N 3.41Å; R742-L745 PolarHBondContact O-N 3.22Å; R742-R746 PolarHBondContact O-N 3.5Å; R742-R746 VanDerWaalsContact O-N 3.09Å |
| 743 | N | 75.5 | Confident | 66.1 | Low | 79 Ų | 79 | 128.2 Ų | 128.2 | 42% | 0.422 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.7 | -36.1 | 170 | -88 | -14.4 | 0 | 0 | 0 | 112.5 | E739 H740 L745 R746 L747 | E739-N743 PolarHBondContact O-N 3.01Å; H740-N743 PolarHBondContact O-N 2.91Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.42Å; N743-R746 PolarHBondContact O-N 3.48Å; N743-R746 VanDerWaalsContact O-N 3.16Å; N743-L747 VanDerWaalsContact O-CD1 3.3Å; N743-L747 WeakPolarHBondContact O-CD1 3.36Å; N743-L747 PolarHBondContact O-N 3.29Å |
| 744 | K | 80.6 | Confident | 65.3 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 54% | 0.543 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.3 | -34 | 173.4 | -167.7 | 174 | -174.9 | 176.4 | 0 | 112.1 | H740 Y741 K748 | H740-K744 WeakPolarHBondContact O-CB 3.43Å; H740-K744 PolarHBondContact O-N 2.95Å; Y741-K744 CarbonylContact O-C 3.49Å; Y741-K744 WeakPolarHBondContact O-CB 3.39Å; Y741-K744 PolarHBondContact O-N 2.94Å; K744-K748 WeakPolarHBondContact O-CB 3.42Å; K744-K748 WeakPolarHBondContact O-CG 3.3Å; K744-K748 PolarHBondContact O-N 3.49Å |
| 745 | L | 68.1 | Low | 63.5 | Low | 91 Ų | 91 | 136.1 Ų | 136.1 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.9 | -46.8 | 168.2 | -104 | 81.6 | 0 | 0 | 0 | 111.9 | Y741 R742 N743 L747 K748 A749 | Y741-L745 HydrophobicContact CD1-CD1 3.94Å; Y741-L745 HydrophobicContact CD2-CD1 4.48Å; Y741-L745 HydrophobicContact CE1-CD1 3.48Å; Y741-L745 VanDerWaalsContact CE1-CD1 3.48Å; Y741-L745 HydrophobicContact CE2-CD1 4.09Å; Y741-L745 HydrophobicContact CG-CD1 4.41Å; Y741-L745 PolarHBondContact O-N 3.44Å; R742-L745 PolarHBondContact O-N 3.22Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.42Å; L745-L747 VanDerWaalsContact C-N 3.33Å; L745-L747 PolarHBondContact O-N 3.11Å; L745-K748 PolarHBondContact O-N 2.9Å; L745-K748 VanDerWaalsContact O-N 3.15Å; L745-A749 PolarHBondContact O-N 3.4Å |
| 746 | R | 69.6 | Low | 62.8 | Low | 165 Ų | 165 | 134 Ų | 134 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61 | -40.1 | 176.9 | -73.7 | -180 | 173.4 | 126.2 | -3.7 | 112.3 | R742 N743 A749 K750 | R742-R746 PolarHBondContact O-N 3.5Å; R742-R746 VanDerWaalsContact O-N 3.09Å; N743-R746 PolarHBondContact O-N 3.48Å; N743-R746 VanDerWaalsContact O-N 3.16Å; R746-A749 PolarHBondContact O-N 2.87Å; R746-K750 PolarHBondContact O-N 2.86Å |
| 747 | L | 57.5 | Low | 60.5 | Low | 123 Ų | 123 | 140.8 Ų | 140.8 | 64% | 0.644 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.6 | -33.6 | 173.5 | -91.3 | 74.6 | 0 | 0 | 0 | 112.6 | N743 L745 K750 K751 | N743-L747 VanDerWaalsContact O-CD1 3.3Å; N743-L747 WeakPolarHBondContact O-CD1 3.36Å; N743-L747 PolarHBondContact O-N 3.29Å; L745-L747 VanDerWaalsContact C-N 3.33Å; L745-L747 PolarHBondContact O-N 3.11Å; L747-K750 CarbonylContact O-C 3.57Å; L747-K750 PolarHBondContact O-N 3.05Å; L747-K751 WeakPolarHBondContact O-CB 3.32Å; L747-K751 PolarHBondContact O-N 3.48Å |
| 748 | K | 57.2 | Low | 59.3 | Low | 153 Ų | 153 | 142 Ų | 142 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.3 | -41.5 | 170.8 | -84.4 | -170.7 | 167.4 | -171.3 | 0 | 112 | K744 L745 K751 K752 | K744-K748 WeakPolarHBondContact O-CB 3.42Å; K744-K748 WeakPolarHBondContact O-CG 3.3Å; K744-K748 PolarHBondContact O-N 3.49Å; L745-K748 PolarHBondContact O-N 2.9Å; L745-K748 VanDerWaalsContact O-N 3.15Å; K748-K751 CarbonylContact O-C 3.58Å; K748-K751 PolarHBondContact O-N 2.9Å; K748-K751 VanDerWaalsContact O-N 3.07Å; K748-K752 PolarHBondContact O-N 3.07Å |
| 749 | A | 57.2 | Low | 56.9 | Low | 83 Ų | 83 | 142.7 Ų | 142.7 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.9 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L745 R746 K751 | L745-A749 PolarHBondContact O-N 3.4Å; R746-A749 PolarHBondContact O-N 2.87Å; A749-K751 PolarHBondContact O-N 3.41Å |
| 750 | K | 53.7 | Low | 54.6 | Low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -1.1 | 172 | -116.8 | -178.1 | 179.4 | -176.1 | 0 | 114.8 | R746 L747 | R746-K750 PolarHBondContact O-N 2.86Å; L747-K750 CarbonylContact O-C 3.57Å; L747-K750 PolarHBondContact O-N 3.05Å |
| 751 | K | 46.9 | Very low | 52.2 | Low | 187 Ų | 187 | 143.4 Ų | 143.4 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 43.9 | 176.6 | -158.3 | -175.6 | 177.1 | 177.1 | 0 | 111.8 | L747 K748 A749 | L747-K751 WeakPolarHBondContact O-CB 3.32Å; L747-K751 PolarHBondContact O-N 3.48Å; K748-K751 CarbonylContact O-C 3.58Å; K748-K751 PolarHBondContact O-N 2.9Å; K748-K751 VanDerWaalsContact O-N 3.07Å; A749-K751 PolarHBondContact O-N 3.41Å |
| 752 | K | 45 | Very low | 49.4 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -135.4 | 41.3 | 156 | -151.4 | -172.4 | 179.7 | -172 | 0 | 112.2 | K748 | K748-K752 PolarHBondContact O-N 3.07Š| ||
| 753 | G | 39.3 | Very low | 46.8 | Very low | 56 Ų | 56 | 137.7 Ų | 137.7 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -100.6 | 120.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 754 | Y | 45 | Very low | 44.6 | Very low | 220 Ų | 220 | 138.4 Ų | 138.4 | 86% | 0.863 | 72% | 0.724 | S | S | * | * | trans | 38 | 123.8 | 155.6 | -60.6 | -91.4 | 0 | 0 | 0 | 120.9 | ||||
| 755 | Y | 26 | Very low | 42.2 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 82% | 0.82 | 74% | 0.74 | S | S | * | * | trans | -142.4 | 117.3 | 146.4 | -96.3 | -89.7 | 0 | 0 | 0 | 105.5 | ||||
| 756 | D | 43 | Very low | 40.5 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | 72.4 | 116.5 | 58.8 | -74.8 | -12.1 | 0 | 0 | 0 | 113.6 | |||||
| 757 | F | 25 | Very low | 38.8 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -172.8 | 162 | 159 | -78.7 | -46.6 | 0 | 0 | 0 | 109.9 | ||||
| 758 | P | 54 | Low | 37.6 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -142.1 | 169.2 | -41.3 | 40 | -24.8 | 0 | 0 | 0 | 113.6 | ||||
| 759 | S | 26.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 160.7 | 146.3 | 139.7 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 760 | T | 30.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | cis | -154.1 | 155.9 | -19.2 | 12.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 761 | N | 28 | Very low | 35 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 52.5 | 120.6 | 152.9 | -60.4 | -4.4 | 0 | 0 | 0 | 121.1 | ||||
| 762 | G | 27.9 | Very low | 34.4 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 131.2 | 83.6 | 114.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 763 | S | 26.8 | Very low | 33.9 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 64.3 | 158.1 | 152.9 | -68.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 764 | S | 29.1 | Very low | 33.5 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | -164.2 | 145.6 | -25.8 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 765 | S | 31.2 | Very low | 33 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | 60 | 155.2 | 167.6 | 69.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 766 | G | 32.5 | Very low | 33.1 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | 163.5 | 132.5 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 767 | G | 33 | Very low | 32.6 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | 88 | 136 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 768 | G | 33.2 | Very low | 32.6 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | cis | 108.2 | 160.1 | 4.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 769 | R | 35.5 | Very low | 31.5 | Very low | 242 Ų | 242 | 129 Ų | 129 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | cis | -162.8 | 147.8 | 6.2 | -123.3 | -177.4 | -179.4 | -178.3 | 0.5 | 112.3 | ||||
| 770 | A | 37.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | 73.2 | 175.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 771 | L | 40.3 | Very low | 31.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | cis | -144.9 | 174.4 | 16.8 | -160.7 | 39.7 | 0 | 0 | 0 | 108.5 | ||||
| 772 | V | 34.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | cis | -149 | -162.9 | 38.2 | -158 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 773 | H | 33.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -101.6 | -166 | -173.8 | -61.2 | -68.6 | 0 | 0 | 0 | 112.6 | ||||
| 774 | K | 32 | Very low | 31.6 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | cis | -171.9 | 159.1 | 29.8 | -173.7 | 176.9 | -178.3 | -178.6 | 0 | 110.7 | ||||
| 775 | Q | 33.2 | Very low | 32.4 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 60% | 0.603 | 75% | 0.749 | S | S | * | * | cis | -179.5 | 140.7 | -31.2 | 176.7 | -178.7 | 13.5 | 0 | 0 | 110.2 | ||||
| 776 | R | 28.6 | Very low | 32.4 | Very low | 214 Ų | 214 | 140 Ų | 140 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 66.5 | 153.7 | 172 | -75.5 | 176.2 | 166.6 | 157.6 | -5.7 | 117.2 | ||||
| 777 | S | 32.1 | Very low | 32.7 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | cis | 87.2 | 143.8 | 21.3 | 114.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 778 | D | 26.1 | Very low | 32.8 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -157.1 | -166.8 | 4.2 | -92.6 | -44.5 | 0 | 0 | 0 | 110.5 | ||||
| 779 | Y | 30.4 | Very low | 32.9 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | 80.8 | 148.8 | 160.7 | -53.8 | -69.1 | 0 | 0 | 0 | 118 | ||||
| 780 | E | 24.6 | Very low | 32.5 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | cis | -162.8 | 179.1 | -10 | 172.9 | 157.8 | -148.4 | 0 | 0 | 111 | ||||
| 781 | R | 24.6 | Very low | 32.3 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 79% | 0.789 | 72% | 0.72 | S | S | * | * | trans | -127.4 | 144.5 | -171.8 | -171.4 | -143.1 | -68.4 | 173 | -3.5 | 112.3 | ||||
| 782 | P | 37.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | -132.2 | 138.6 | 124.1 | 6.2 | 16.8 | 0 | 0 | 0 | 113.1 | |||||
| 783 | L | 30.1 | Very low | 31.5 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | 74.9 | 123.7 | 92.2 | -61.2 | 173.2 | 0 | 0 | 0 | 113.3 | |||||
| 784 | E | 25.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | 69.8 | 147.5 | 63.4 | -72.6 | -68.5 | 117.1 | 0 | 0 | 112.6 | |||||
| 785 | P | 44.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 144 Ų | 144 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | cis | -150.5 | -178.7 | 34.8 | 47 | -27.6 | 0 | 0 | 0 | 119.9 | ||||
| 786 | D | 31.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 67.8 | 153.7 | 140.9 | -69 | -1.5 | 0 | 0 | 0 | 124.5 | ||||
| 787 | D | 38 | Very low | 30.6 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | cis | -173.2 | -180 | -37.1 | -155.7 | -2.3 | 0 | 0 | 0 | 110.9 | ||||
| 788 | E | 35.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 146 Ų | 146 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | trans | 76.8 | 150.3 | 149.1 | -62.6 | -118.3 | 125.7 | 0 | 0 | 120.4 | ||||
| 789 | R | 35.2 | Very low | 30.3 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | cis | -171.2 | 136.1 | -15.1 | 162.6 | -175.9 | -77.8 | -151.9 | 6.7 | 112.9 | ||||
| 790 | G | 28.3 | Very low | 30.1 | Very low | 73 Ų | 73 | 147.4 Ų | 147.4 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | 75.1 | 170.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 791 | S | 30.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | cis | -171.5 | 159.1 | -18.9 | 69.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 792 | T | 30.9 | Very low | 30.4 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | 67.7 | 164.2 | 159.3 | 65.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 793 | F | 27.6 | Very low | 30.1 | Very low | 178 Ų | 178 | 142 Ų | 142 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | cis | -165.1 | 130.6 | 30.4 | -167.1 | -117.2 | 0 | 0 | 0 | 116 | ||||
| 794 | V | 28.4 | Very low | 29.9 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | trans | 64.3 | 140.2 | 137.4 | 167.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 795 | K | 26.1 | Very low | 30 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | 108.2 | 155.1 | 146.5 | -112.1 | 169.2 | -176.1 | 172 | 0 | 121.4 | ||||
| 796 | S | 26.4 | Very low | 29.1 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | trans | -156.4 | 153.2 | -171 | 65.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 797 | H | 28.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | 179.1 | 151.8 | 136.5 | -106.8 | 49.1 | 0 | 0 | 0 | 116.7 | ||||
| 798 | R | 24.8 | Very low | 28.1 | Very low | 215 Ų | 215 | 142.5 Ų | 142.5 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | 61 | 116 | 151 | -74.8 | 175.1 | -179.4 | -173.1 | -0.3 | 122.9 | ||||
| 799 | R | 27.4 | Very low | 27.5 | Very low | 210 Ų | 210 | 147.6 Ų | 147.6 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | 3.9 | 155.1 | 122.7 | -34.8 | 179.5 | -167.3 | 168 | 2.7 | 117.6 | |||||
| 800 | H | 25.4 | Very low | 27 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | cis | -170.4 | 154.7 | 47.9 | -123 | -68.6 | 0 | 0 | 0 | 113.6 | ||||
| 801 | S | 25.7 | Very low | 26.8 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | 69.5 | 153.7 | 136.6 | 74.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 802 | Q | 29.6 | Very low | 26.5 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | cis | -169.9 | 162.8 | -15.2 | -114.6 | 177.7 | -24.9 | 0 | 0 | 112.5 | ||||
| 803 | V | 31 | Very low | 26.3 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 62.1 | 137.1 | 143.5 | 170.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 804 | G | 27.2 | Very low | 26.2 | Very low | 63 Ų | 63 | 148.2 Ų | 148.2 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | cis | 154.7 | 175.3 | -13 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 805 | Q | 26.8 | Very low | 26 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | 66.9 | 150.7 | 155.8 | -61.4 | -161.4 | 2.5 | 0 | 0 | 118.7 | ||||
| 806 | M | 25.5 | Very low | 26 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | cis | -160.5 | 164.3 | -12.2 | -121.6 | -174.1 | -173.5 | 0 | 0 | 112.8 | ||||
| 807 | A | 26.2 | Very low | 26.6 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | trans | 74.7 | 125.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 808 | Y | 23 | Very low | 26.4 | Very low | 206 Ų | 206 | 141.9 Ų | 141.9 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | 80.7 | 138.3 | 130.4 | -92.8 | -115.8 | 0 | 0 | 0 | 123.8 | ||||
| 809 | R | 23.4 | Very low | 27 | Very low | 231 Ų | 231 | 137.3 Ų | 137.3 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | 67.3 | 162 | 154.9 | -86.3 | 179 | -174.8 | -174.9 | 2.9 | 116.9 | ||||
| 810 | S | 23.7 | Very low | 27.1 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -155.3 | 178.2 | -21.1 | -163.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 811 | R | 25.1 | Very low | 27.3 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -52.3 | 165.6 | 168.1 | -61.2 | 155.2 | 142.9 | -102.3 | -0.2 | 115.5 | ||||
| 812 | Q | 24.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 74.1 | 105.7 | 141 | -81.9 | 161.9 | -71.1 | 0 | 0 | 120.2 | ||||
| 813 | S | 26.2 | Very low | 28.1 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | 40 | 143.6 | 114.5 | 66 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 814 | L | 26.4 | Very low | 28.3 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | 78.7 | 149 | 167.9 | -52.4 | 177.9 | 0 | 0 | 0 | 114.5 | ||||
| 815 | S | 23.6 | Very low | 28.6 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -174 | 141.7 | -13.4 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 816 | S | 25.3 | Very low | 29 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 62.4 | 178.7 | 153.1 | 79.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 817 | P | 39.2 | Very low | 29.7 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | cis | -128.3 | 178.6 | -12.4 | 41.7 | -27.6 | 0 | 0 | 0 | 114.3 | ||||
| 818 | S | 25.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -148.2 | 125.6 | 142.1 | -80.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 819 | P | 36.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -107.7 | 150.8 | -164 | 38.7 | -33.8 | 0 | 0 | 0 | 114.8 | ||||
| 820 | G | 29.3 | Very low | 30.9 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | 69.2 | 139.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 821 | G | 28.8 | Very low | 31.3 | Very low | 63 Ų | 63 | 136.4 Ų | 136.4 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | 176.1 | -171.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 822 | T | 36.1 | Very low | 31.7 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 65.4 | 146.3 | -175.2 | 76.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 823 | E | 36.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -164.1 | 159.8 | -28.2 | 55 | -156.1 | 151.7 | 0 | 0 | 110.5 | ||||
| 824 | M | 35.9 | Very low | 33.3 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | 63 | 152.8 | 168.1 | -53.3 | -57 | -77.8 | 0 | 0 | 118.6 | ||||
| 825 | D | 33.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | cis | -153.7 | 176.1 | -45.1 | -155.7 | -7.9 | 0 | 0 | 0 | 108.5 | ||||
| 826 | L | 34 | Very low | 33.9 | Very low | 141 Ų | 141 | 144 Ų | 144 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -67.5 | 161.8 | 177.1 | -61.6 | 165.2 | 0 | 0 | 0 | 111.1 | ||||
| 827 | L | 41.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | -163.2 | 151.1 | 78.5 | -89.1 | 171.1 | 0 | 0 | 0 | 114.4 | |||||
| 828 | V | 34.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | -105.8 | 127.2 | 168.1 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | R830 | V828-R830 HydrophobicContact CG1-CB 4.38Š| ||
| 829 | M | 30.9 | Very low | 34.6 | Very low | 178 Ų | 178 | 153 Ų | 153 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -124.8 | 118.3 | 152.8 | -65.5 | -176.4 | 68.8 | 0 | 0 | 106.3 | ||||
| 830 | R | 32 | Very low | 34.5 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | 72.3 | 92.8 | 30.7 | -151.9 | -170 | -153.5 | 151.3 | 6.3 | 113.5 | V828 | V828-R830 HydrophobicContact CG1-CB 4.38Š| ||
| 831 | E | 32.4 | Very low | 34.6 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -148.9 | 165.5 | 147.5 | -161.4 | 57.4 | -87.4 | 0 | 0 | 109 | ||||
| 832 | R | 32.7 | Very low | 34.6 | Very low | 215 Ų | 215 | 160.1 Ų | 160.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -128.8 | -151.2 | -177.1 | -78.7 | -177.9 | 160.5 | 150.2 | -7.8 | 111.3 | ||||
| 833 | P | 47 | Very low | 34.5 | Very low | 97 Ų | 97 | 160.5 Ų | 160.5 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | -131.8 | 165.3 | -86.3 | 39 | -24.4 | 0 | 0 | 0 | 116.1 | |||||
| 834 | R | 36.3 | Very low | 34.2 | Very low | 231 Ų | 231 | 159 Ų | 159 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | 145.4 | 112.9 | 129.9 | -81.4 | 158.9 | 174.9 | 167.3 | -1.3 | 117.1 | |||||
| 835 | R | 33.2 | Very low | 34 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | 59 | 110.3 | 118.7 | -154.2 | -177.6 | -153.3 | -150.8 | 6.1 | 119.9 | |||||
| 836 | G | 29.7 | Very low | 34.6 | Very low | 77 Ų | 77 | 159 Ų | 159 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -146.6 | 7.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 837 | I | 35.7 | Very low | 34.3 | Very low | 131 Ų | 131 | 160.4 Ų | 160.4 | 67% | 0.672 | 80% | 0.799 | S | S | * | * | trans | 36.4 | 105.1 | 163.6 | -41.9 | 177.6 | 0 | 0 | 0 | 119.3 | ||||
| 838 | R | 35.3 | Very low | 33.9 | Very low | 242 Ų | 242 | 159.8 Ų | 159.8 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | -166.1 | 145.4 | 116 | -106.9 | 171.5 | -179.6 | 159.4 | 1.6 | 111.7 | |||||
| 839 | N | 33.6 | Very low | 33.5 | Very low | 154 Ų | 154 | 161.1 Ų | 161.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 172.5 | -177.6 | -45.2 | -25.2 | 0 | 0 | 0 | 109.3 | ||||
| 840 | S | 36.4 | Very low | 33.5 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | cis | -159.2 | 161 | 14.5 | 44.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 841 | G | 31.5 | Very low | 33.6 | Very low | 69 Ų | 69 | 159 Ų | 159 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | cis | -179.6 | 146.8 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 842 | Y | 28.5 | Very low | 33.6 | Very low | 228 Ų | 228 | 156.1 Ų | 156.1 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 12.5 | 117.1 | 167.8 | -74.2 | -84.6 | 0 | 0 | 0 | 123.2 | ||||
| 843 | D | 33.3 | Very low | 33.3 | Very low | 138 Ų | 138 | 153 Ų | 153 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -64.4 | 149.1 | 138.6 | 165.9 | 38.4 | 0 | 0 | 0 | 112.5 | ||||
| 844 | T | 31.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -178.7 | 129.2 | 144.1 | 36.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 845 | E | 30.2 | Very low | 32.1 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -88.1 | -163.3 | 155.2 | -62.8 | -164.4 | 137.1 | 0 | 0 | 110.9 | ||||
| 846 | P | 46.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | -124.4 | -167.2 | -82.4 | 38.1 | -21.9 | 0 | 0 | 0 | 114.6 | |||||
| 847 | E | 28.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 86.6 | 102.4 | 168.5 | -54.3 | -152 | 140.4 | 0 | 0 | 120.7 | ||||
| 848 | L | 31.6 | Very low | 31.3 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | 45.8 | 124.2 | 121.7 | -60.4 | 163.9 | 0 | 0 | 0 | 121.4 | |||||
| 849 | I | 26.6 | Very low | 30.8 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | 174.5 | 150 | 116.3 | -92 | 165 | 0 | 0 | 0 | 114.5 | |||||
| 850 | E | 30.7 | Very low | 30.9 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | 26.8 | 118.1 | 162.5 | -68.5 | 170.4 | 113.7 | 0 | 0 | 126 | ||||
| 851 | E | 34.8 | Very low | 30.4 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | 14.8 | 157.2 | 125.3 | -49.6 | -168.6 | 165.6 | 0 | 0 | 126.2 | |||||
| 852 | T | 31.9 | Very low | 30 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | 107.7 | 109.4 | 144.2 | 70.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 853 | N | 26 | Very low | 29.8 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -174.6 | 115.6 | 135.6 | -118 | -90.5 | 0 | 0 | 0 | 108 | ||||
| 854 | V | 29.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | 85.1 | 105.7 | 50.4 | -174.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 855 | D | 28.8 | Very low | 29 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 167.6 | 155 | 139.1 | -104.8 | 3.1 | 0 | 0 | 0 | 111.4 | ||||
| 856 | H | 30.1 | Very low | 28.8 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -160.5 | -178.4 | -44.6 | -139.3 | -93.8 | 0 | 0 | 0 | 109.8 | ||||
| 857 | L | 26.4 | Very low | 27.8 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 77.3 | 135.6 | 176.4 | -47.2 | 178.1 | 0 | 0 | 0 | 115.6 | ||||
| 858 | L | 25.3 | Very low | 27.7 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | cis | -150.3 | 145.3 | -3.7 | -134.6 | 153.7 | 0 | 0 | 0 | 109.1 | ||||
| 859 | G | 25.3 | Very low | 27.6 | Very low | 63 Ų | 63 | 149.2 Ų | 149.2 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -85.7 | -157.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 860 | P | 36.3 | Very low | 27.7 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -148.7 | -179.4 | 16.3 | 44.3 | -24.7 | 0 | 0 | 0 | 119.3 | ||||
| 861 | R | 24.7 | Very low | 27.5 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 83.8 | 124.8 | 142.2 | -93.2 | -174.4 | 175 | -172.3 | 1.7 | 123.2 | ||||
| 862 | R | 23.1 | Very low | 27.2 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | 72.5 | 150.8 | 141.5 | -64.2 | -163.3 | 176.4 | -175.9 | -1.6 | 118.8 | ||||
| 863 | Y | 24.5 | Very low | 26.9 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | cis | -168.5 | 151 | -31.5 | -125.8 | -47.8 | 0 | 0 | 0 | 109.7 | ||||
| 864 | M | 23.6 | Very low | 27.2 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | 72.4 | 127.8 | 152.4 | -65.3 | -166.8 | 83.3 | 0 | 0 | 122.8 | ||||
| 865 | Y | 24.1 | Very low | 27.3 | Very low | 212 Ų | 212 | 145.5 Ų | 145.5 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | 39.6 | 140.2 | 137.5 | -65.6 | -108.7 | 0 | 0 | 0 | 121.6 | ||||
| 866 | G | 26.6 | Very low | 27.5 | Very low | 64 Ų | 64 | 143.6 Ų | 143.6 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | cis | 140.3 | 163 | -5.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 867 | R | 25 | Very low | 27.8 | Very low | 241 Ų | 241 | 142.8 Ų | 142.8 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | 70.2 | 144 | 176.2 | -162.6 | -171 | -58.3 | -100.6 | 2.7 | 114.7 | ||||
| 868 | G | 27.3 | Very low | 28 | Very low | 57 Ų | 57 | 144.1 Ų | 144.1 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | cis | 147.7 | 153.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 869 | L | 28.1 | Very low | 28.5 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 166.9 | 179.7 | -72.6 | 70.5 | 0 | 0 | 0 | 116.1 | ||||
| 870 | K | 30.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 145 Ų | 145 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -178.3 | 128.7 | -46.1 | 175.8 | 172 | 178.4 | -179.7 | 0 | 106.7 | H872 | K870-H872 WeakPolarHBondContact CE-NE2 3.25Š| ||
| 871 | G | 26.7 | Very low | 29.7 | Very low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -162.1 | 138.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 872 | H | 27.7 | Very low | 31.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -93.9 | 166.5 | 171 | -57.7 | -102.4 | 0 | 0 | 0 | 107.5 | K870 | K870-H872 WeakPolarHBondContact CE-NE2 3.25Š| ||
| 873 | S | 25 | Very low | 33.7 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | cis | -157.5 | 164.8 | 36 | -98.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 874 | E | 33.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 38.2 | 113.4 | 143.6 | -64 | 141.3 | -111.5 | 0 | 0 | 121.1 | ||||
| 875 | T | 30.8 | Very low | 37.7 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | -172.6 | 132 | 105.3 | 20.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 876 | S | 32.6 | Very low | 40.2 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -93.2 | 172.6 | 165.9 | -58.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 877 | T | 36.4 | Very low | 42.8 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 83% | 0.828 | 71% | 0.707 | S | S | * | * | -172 | 124.7 | 85.5 | 27.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 878 | L | 30.3 | Very low | 45.3 | Very low | 174 Ų | 174 | 119.9 Ų | 119.9 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -144.5 | 133.9 | 142.5 | -81.3 | -176.3 | 0 | 0 | 0 | 107.6 | ||
| 879 | S | 36.7 | Very low | 47.5 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | trans | 60.9 | 104.4 | 170.3 | -172.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 880 | S | 38.9 | Very low | 50 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | trans | -135.9 | 140.9 | 143.4 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 881 | Q | 46.9 | Very low | 52.3 | Low | 175 Ų | 175 | 118.3 Ų | 118.3 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 153 | 164.5 | -68.2 | 165.1 | -86.7 | 0 | 0 | 108.5 | S883 | Q881-S883 PolarHBondContact O-N 3.38Š|
| 882 | P | 62.4 | Low | 54.6 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 137.2 | 169.7 | 27.7 | -34.6 | 0 | 0 | 0 | 109.2 | E886 V887 | P882-E886 HydrophobicContact CB-CB 4.48Å; P882-V887 HydrophobicContact CB-CG2 4.07Å; P882-V887 HydrophobicContact CG-CG2 4.03Å |
| 883 | S | 69.1 | Low | 57.2 | Low | 55 Ų | 55 | 118 Ų | 118 | 39% | 0.385 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 157.8 | 177.1 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | Q881 D885 E886 V887 | Q881-S883 PolarHBondContact O-N 3.38Å; S883-D885 PolarHBondContact O-N 3.05Å; S883-D885 VanDerWaalsContact O-N 3.12Å; S883-E886 VanDerWaalsContact CB-OE2 3.25Å; S883-E886 WeakPolarHBondContact CB-OE2 3.3Å; S883-E886 PolarHBondContact N-OE2 3.36Å; S883-E886 PolarHBondContact O-N 3.17Å; S883-E886 VanDerWaalsContact O-N 3.17Å; S883-E886 VanDerWaalsContact OG-CG 3.3Å; S883-E886 WeakPolarHBondContact OG-CG 3.31Å; S883-E886 PolarHBondContact OG-N 2.87Å; S883-E886 PolarHBondContact OG-OE2 2.97Å; S883-V887 WeakPolarHBondContact O-CG2 3.49Å; S883-V887 PolarHBondContact O-N 2.81Å |
| 884 | I | 65.9 | Low | 59.8 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.9 | -23.9 | -176.8 | -149 | 165.3 | 0 | 0 | 0 | 112.2 | R888 | I884-R888 WeakPolarHBondContact O-CB 3.46Å; I884-R888 PolarHBondContact O-N 3.41Å; I884-R888 VanDerWaalsContact O-N 3.09Å |
| 885 | D | 66.8 | Low | 61.9 | Low | 87 Ų | 87 | 114.8 Ų | 114.8 | 47% | 0.465 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -88.8 | -30.1 | 177.8 | -63 | -49.4 | 0 | 0 | 0 | 113.1 | S883 V887 R888 Q889 | S883-D885 PolarHBondContact O-N 3.05Å; S883-D885 VanDerWaalsContact O-N 3.12Å; D885-V887 VanDerWaalsContact C-N 3.34Å; D885-R888 PolarHBondContact O-N 3.28Å; D885-R888 IonicContact OD1-CZ 2.69Å; D885-R888 VanDerWaalsContact OD1-CZ 3.25Å; D885-R888 IonicContact OD1-NE 2.95Å; D885-R888 PolarHBondContact OD1-NE 3.35Å; D885-R888 IonicContact OD1-NH2 2.68Å; D885-R888 PolarHBondContact OD1-NH2 3.08Å; D885-Q889 WeakPolarHBondContact O-CB 3.3Å; D885-Q889 PolarHBondContact O-N 3.25Å |
| 886 | E | 77.8 | Confident | 63.6 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 50% | 0.495 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.2 | -44 | 164.9 | -76.4 | 163.5 | 120.9 | 0 | 0 | 110.7 | P882 S883 R888 Q889 Q890 | P882-E886 HydrophobicContact CB-CB 4.48Å; S883-E886 VanDerWaalsContact CB-OE2 3.25Å; S883-E886 WeakPolarHBondContact CB-OE2 3.3Å; S883-E886 PolarHBondContact N-OE2 3.36Å; S883-E886 PolarHBondContact O-N 3.17Å; S883-E886 VanDerWaalsContact O-N 3.17Å; S883-E886 VanDerWaalsContact OG-CG 3.3Å; S883-E886 WeakPolarHBondContact OG-CG 3.31Å; S883-E886 PolarHBondContact OG-N 2.87Å; S883-E886 PolarHBondContact OG-OE2 2.97Å; E886-R888 VanDerWaalsContact C-N 3.35Å; E886-R888 PolarHBondContact O-N 3.5Å; E886-Q889 PolarHBondContact O-N 3.24Å; E886-Q890 VanDerWaalsContact O-CB 3.25Å; E886-Q890 WeakPolarHBondContact O-CB 3.44Å; E886-Q890 PolarHBondContact O-N 3.21Å |
| 887 | V | 80.9 | Confident | 65.6 | Low | 76 Ų | 76 | 114.3 Ų | 114.3 | 46% | 0.461 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.9 | -41.2 | 175 | 177 | 0 | 0 | 0 | 0 | 111.1 | P882 S883 D885 M891 | P882-V887 HydrophobicContact CB-CG2 4.07Å; P882-V887 HydrophobicContact CG-CG2 4.03Å; S883-V887 WeakPolarHBondContact O-CG2 3.49Å; S883-V887 PolarHBondContact O-N 2.81Å; D885-V887 VanDerWaalsContact C-N 3.34Å; V887-M891 WeakPolarHBondContact O-CB 3.28Å; V887-M891 PolarHBondContact O-N 3.18Å |
| 888 | R | 76.1 | Confident | 67 | Low | 131 Ų | 131 | 110.3 Ų | 110.3 | 49% | 0.494 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.5 | -42.9 | 175.7 | -160.3 | -162.6 | -50 | -107.3 | 4.5 | 111.7 | I884 D885 E886 M891 H892 | I884-R888 WeakPolarHBondContact O-CB 3.46Å; I884-R888 PolarHBondContact O-N 3.41Å; I884-R888 VanDerWaalsContact O-N 3.09Å; D885-R888 PolarHBondContact O-N 3.28Å; D885-R888 IonicContact OD1-CZ 2.69Å; D885-R888 VanDerWaalsContact OD1-CZ 3.25Å; D885-R888 IonicContact OD1-NE 2.95Å; D885-R888 PolarHBondContact OD1-NE 3.35Å; D885-R888 IonicContact OD1-NH2 2.68Å; D885-R888 PolarHBondContact OD1-NH2 3.08Å; E886-R888 VanDerWaalsContact C-N 3.35Å; E886-R888 PolarHBondContact O-N 3.5Å; R888-M891 PolarHBondContact O-N 3.4Å; R888-H892 PolarHBondContact O-CD2 3.5Å; R888-H892 PolarHBondContact O-N 3.38Å |
| 889 | Q | 74.5 | Confident | 68.3 | Low | 134 Ų | 134 | 109.1 Ų | 109.1 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.7 | -36.7 | -179 | -164.7 | 167.2 | 38.6 | 0 | 0 | 111.7 | D885 E886 H892 L893 | D885-Q889 WeakPolarHBondContact O-CB 3.3Å; D885-Q889 PolarHBondContact O-N 3.25Å; E886-Q889 PolarHBondContact O-N 3.24Å; Q889-H892 PolarHBondContact O-N 2.86Å; Q889-L893 PolarHBondContact O-N 3.45Å |
| 890 | Q | 79.6 | Confident | 69.2 | Low | 125 Ų | 125 | 106.9 Ų | 106.9 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.4 | -34.8 | 172.6 | -169.5 | 171.3 | 4 | 0 | 0 | 112.2 | E886 L893 L894 | E886-Q890 VanDerWaalsContact O-CB 3.25Å; E886-Q890 WeakPolarHBondContact O-CB 3.44Å; E886-Q890 PolarHBondContact O-N 3.21Å; Q890-L893 PolarHBondContact O-N 2.8Å; Q890-L894 WeakPolarHBondContact O-CG 3.38Å; Q890-L894 PolarHBondContact O-N 2.98Å |
| 891 | M | 80.1 | Confident | 69.9 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 50% | 0.498 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.5 | -41.8 | 169.4 | -176.8 | -170.9 | 73.9 | 0 | 0 | 111.7 | V887 R888 L894 L895 | V887-M891 WeakPolarHBondContact O-CB 3.28Å; V887-M891 PolarHBondContact O-N 3.18Å; R888-M891 PolarHBondContact O-N 3.4Å; M891-L894 PolarHBondContact O-N 3.26Å; M891-L895 HydrophobicContact CG-CD1 4.21Å; M891-L895 WeakPolarHBondContact O-CG 3.11Å; M891-L895 PolarHBondContact O-N 3.49Å |
| 892 | H | 74.6 | Confident | 70.1 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 173.4 | -83.7 | -67.9 | 0 | 0 | 0 | 112 | R888 Q889 L894 L895 E896 | R888-H892 PolarHBondContact O-CD2 3.5Å; R888-H892 PolarHBondContact O-N 3.38Å; Q889-H892 PolarHBondContact O-N 2.86Å; H892-L894 PolarHBondContact O-N 3.32Å; H892-L895 PolarHBondContact O-N 2.92Å; H892-E896 WeakPolarHBondContact O-CB 3.46Å; H892-E896 PolarHBondContact O-N 3.17Å |
| 893 | L | 82.9 | Confident | 69.5 | Low | 109 Ų | 109 | 104.4 Ų | 104.4 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.4 | -44.5 | 174.2 | -116.1 | 95.5 | 0 | 0 | 0 | 112.2 | Q889 Q890 L895 E896 E897 | Q889-L893 PolarHBondContact O-N 3.45Å; Q890-L893 PolarHBondContact O-N 2.8Å; L893-L895 VanDerWaalsContact C-N 3.32Å; L893-L895 PolarHBondContact O-N 3.22Å; L893-E896 PolarHBondContact O-N 3.17Å; L893-E897 VanDerWaalsContact O-CB 3.3Å; L893-E897 WeakPolarHBondContact O-CB 3.48Å; L893-E897 PolarHBondContact O-N 2.93Å |
| 894 | L | 78.9 | Confident | 68 | Low | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -33 | 178.4 | -79.6 | 165.2 | 0 | 0 | 0 | 112.7 | Q890 M891 H892 A898 | Q890-L894 WeakPolarHBondContact O-CG 3.38Å; Q890-L894 PolarHBondContact O-N 2.98Å; M891-L894 PolarHBondContact O-N 3.26Å; H892-L894 PolarHBondContact O-N 3.32Å; L894-A898 WeakPolarHBondContact O-CB 3.38Å; L894-A898 PolarHBondContact O-N 3.48Å |
| 895 | L | 78.6 | Confident | 66.3 | Low | 80 Ų | 80 | 102.3 Ų | 102.3 | 42% | 0.419 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.1 | -42 | 172.9 | -71.2 | 167.4 | 0 | 0 | 0 | 111.4 | M891 H892 L893 A898 F899 | M891-L895 HydrophobicContact CG-CD1 4.21Å; M891-L895 WeakPolarHBondContact O-CG 3.11Å; M891-L895 PolarHBondContact O-N 3.49Å; H892-L895 PolarHBondContact O-N 2.92Å; L893-L895 VanDerWaalsContact C-N 3.32Å; L893-L895 PolarHBondContact O-N 3.22Å; L895-A898 PolarHBondContact O-N 3.42Å; L895-F899 WeakPolarHBondContact O-CD2 3.43Å; L895-F899 PolarHBondContact O-N 3.3Å |
| 896 | E | 66.1 | Low | 64.6 | Low | 130 Ų | 130 | 106.9 Ų | 106.9 | 61% | 0.607 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 176.9 | -170.2 | 166.8 | -153.2 | 0 | 0 | 111.8 | H892 L893 S900 | H892-E896 WeakPolarHBondContact O-CB 3.46Å; H892-E896 PolarHBondContact O-N 3.17Å; L893-E896 PolarHBondContact O-N 3.17Å; E896-S900 VanDerWaalsContact O-CB 3.28Å; E896-S900 WeakPolarHBondContact O-CB 3.28Å; E896-S900 PolarHBondContact O-N 3.28Å; E896-S900 PolarHBondContact O-OG 3Å |
| 897 | E | 74.5 | Confident | 62.1 | Low | 111 Ų | 111 | 107.1 Ų | 107.1 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.9 | -45.1 | 170.3 | -174 | 174.5 | -165.9 | 0 | 0 | 111.3 | L893 F899 S900 L901 | L893-E897 VanDerWaalsContact O-CB 3.3Å; L893-E897 WeakPolarHBondContact O-CB 3.48Å; L893-E897 PolarHBondContact O-N 2.93Å; E897-F899 PolarHBondContact O-N 3.37Å; E897-S900 PolarHBondContact O-N 2.94Å; E897-L901 HydrophobicContact CG-CD1 4.01Å; E897-L901 HydrophobicContact CG-CG 4.49Å; E897-L901 WeakPolarHBondContact O-CB 3.42Å; E897-L901 VanDerWaalsContact O-CG 3.28Å; E897-L901 WeakPolarHBondContact O-CG 3.5Å; E897-L901 PolarHBondContact O-N 3.01Å |
| 898 | A | 66 | Low | 59.8 | Low | 52 Ų | 52 | 110.8 Ų | 110.8 | 43% | 0.43 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L894 L895 L901 A902 | L894-A898 WeakPolarHBondContact O-CB 3.38Å; L894-A898 PolarHBondContact O-N 3.48Å; L895-A898 PolarHBondContact O-N 3.42Å; A898-L901 PolarHBondContact O-N 3.23Å; A898-A902 WeakPolarHBondContact O-CB 3.32Å; A898-A902 PolarHBondContact O-N 2.75Å |
| 899 | F | 56.7 | Low | 57.5 | Low | 149 Ų | 149 | 110.4 Ų | 110.4 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.4 | -32 | 174.6 | -73.7 | -60.5 | 0 | 0 | 0 | 112.4 | L895 E897 A902 S903 | L895-F899 WeakPolarHBondContact O-CD2 3.43Å; L895-F899 PolarHBondContact O-N 3.3Å; E897-F899 PolarHBondContact O-N 3.37Å; F899-A902 PolarHBondContact O-N 2.76Å; F899-S903 VanDerWaalsContact O-CB 3.32Å; F899-S903 WeakPolarHBondContact O-CB 3.33Å; F899-S903 PolarHBondContact O-N 3.31Å |
| 900 | S | 55.7 | Low | 55.2 | Low | 77 Ų | 77 | 106.9 Ų | 106.9 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66 | -42 | 171.2 | -61 | 0 | 0 | 0 | 0 | 112 | E896 E897 A902 S903 | E896-S900 VanDerWaalsContact O-CB 3.28Å; E896-S900 WeakPolarHBondContact O-CB 3.28Å; E896-S900 PolarHBondContact O-N 3.28Å; E896-S900 PolarHBondContact O-OG 3Å; E897-S900 PolarHBondContact O-N 2.94Å; S900-A902 VanDerWaalsContact C-N 3.32Å; S900-A902 PolarHBondContact O-N 3.01Å; S900-S903 CarbonylContact O-C 3.55Å; S900-S903 PolarHBondContact O-N 2.99Å; S900-S903 VanDerWaalsContact O-N 3.14Å |
| 901 | L | 54.2 | Low | 52.8 | Low | 136 Ų | 136 | 112.2 Ų | 112.2 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.4 | -28.7 | 175.1 | -71.4 | 169.2 | 0 | 0 | 0 | 112.8 | E897 A898 S903 | E897-L901 HydrophobicContact CG-CD1 4.01Å; E897-L901 HydrophobicContact CG-CG 4.49Å; E897-L901 WeakPolarHBondContact O-CB 3.42Å; E897-L901 VanDerWaalsContact O-CG 3.28Å; E897-L901 WeakPolarHBondContact O-CG 3.5Å; E897-L901 PolarHBondContact O-N 3.01Å; A898-L901 PolarHBondContact O-N 3.23Å; L901-S903 VanDerWaalsContact C-N 3.29Å |
| 902 | A | 50.3 | Low | 50.4 | Low | 85 Ų | 85 | 115.7 Ų | 115.7 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.3 | -13.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A898 F899 S900 | A898-A902 WeakPolarHBondContact O-CB 3.32Å; A898-A902 PolarHBondContact O-N 2.75Å; F899-A902 PolarHBondContact O-N 2.76Å; S900-A902 VanDerWaalsContact C-N 3.32Å; S900-A902 PolarHBondContact O-N 3.01Å |
| 903 | S | 51.4 | Low | 48.5 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -124.3 | 47.6 | -172.5 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | F899 S900 L901 | F899-S903 VanDerWaalsContact O-CB 3.32Å; F899-S903 WeakPolarHBondContact O-CB 3.33Å; F899-S903 PolarHBondContact O-N 3.31Å; S900-S903 CarbonylContact O-C 3.55Å; S900-S903 PolarHBondContact O-N 2.99Å; S900-S903 VanDerWaalsContact O-N 3.14Å; L901-S903 VanDerWaalsContact C-N 3.29Å |
| 904 | G | 35.7 | Very low | 46.1 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | trans | -128.5 | 31.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 905 | G | 32.1 | Very low | 43.9 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -80.9 | 115.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 906 | Q | 30.4 | Very low | 41.6 | Very low | 183 Ų | 183 | 121.3 Ų | 121.3 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | 70.5 | 108.9 | 169.5 | -59.8 | -171 | -8 | 0 | 0 | 119.3 | ||||
| 907 | S | 25.6 | Very low | 40 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | 48.9 | 111.9 | 124 | -53.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 908 | T | 32 | Very low | 39 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 93% | 0.933 | 73% | 0.729 | S | S | * | * | -159.9 | 150.5 | 113.5 | 21 | 0 | 0 | 0 | 0 | 114 | |||||
| 909 | S | 28.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -39 | 138.4 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 910 | G | 26.4 | Very low | 38.3 | Very low | 61 Ų | 61 | 124.6 Ų | 124.6 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | 115.5 | 109 | 103.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 911 | R | 28.9 | Very low | 37 | Very low | 236 Ų | 236 | 128.9 Ų | 128.9 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 136.7 | 154 | -64.8 | -175.5 | 172.9 | -173.3 | -2.7 | 116.8 | ||||
| 912 | H | 28.9 | Very low | 36.1 | Very low | 175 Ų | 175 | 130 Ų | 130 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | 62.5 | 135.7 | 55.9 | -65.2 | 21.1 | 0 | 0 | 0 | 113 | |||||
| 913 | G | 35.2 | Very low | 35 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | cis | 152.9 | -168.3 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 914 | H | 32.7 | Very low | 34 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | 72.1 | 172.6 | 170 | -37.6 | -78.9 | 0 | 0 | 0 | 116.3 | ||||
| 915 | H | 32.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | cis | -144.2 | 179.9 | 12.2 | -105.9 | -49.4 | 0 | 0 | 0 | 110.2 | ||||
| 916 | Q | 29.3 | Very low | 34.2 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | cis | -154.7 | 173.3 | 20.6 | -143.1 | 148.5 | 38.7 | 0 | 0 | 114.4 | ||||
| 917 | Q | 32.7 | Very low | 35.3 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -120.4 | -115.4 | -179.1 | -68.1 | 161.3 | -102.4 | 0 | 0 | 111.4 | ||||
| 918 | P | 53.3 | Low | 36.2 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | cis | -117.6 | -86.4 | 6 | 20.5 | 6.9 | 0 | 0 | 0 | 118.2 | ||||
| 919 | P | 52.8 | Low | 36 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -129.1 | -146.9 | -158.7 | 46.3 | -24.7 | 0 | 0 | 0 | 112 | ||||
| 920 | P | 56.3 | Low | 36.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | cis | -133.2 | 171.6 | -19.8 | 41.5 | -25.7 | 0 | 0 | 0 | 115.9 | ||||
| 921 | D | 28.1 | Very low | 37 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | -163 | 164.4 | 120.5 | -147 | -13.9 | 0 | 0 | 0 | 110.3 | |||||
| 922 | Q | 33.8 | Very low | 37.3 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -152 | 153.4 | -150.4 | -161.7 | 169.5 | 30.2 | 0 | 0 | 118.1 | ||||
| 923 | Y | 27.7 | Very low | 37.5 | Very low | 234 Ų | 234 | 133.2 Ų | 133.2 | 92% | 0.918 | 74% | 0.744 | S | S | * | * | trans | -145.1 | 163.1 | 155.1 | -121.2 | -88.8 | 0 | 0 | 0 | 112.5 | ||||
| 924 | S | 30 | Very low | 37.6 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | -146.6 | -165.1 | -168.5 | -134.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 925 | P | 46.7 | Very low | 37.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | cis | -144.9 | -179.6 | 25.9 | 43.4 | -22.3 | 0 | 0 | 0 | 119.4 | ||||
| 926 | A | 26 | Very low | 37.4 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 99.9 | 146.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 927 | P | 53.7 | Low | 37.3 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -127.8 | -160.8 | -151.8 | 41.5 | -20 | 0 | 0 | 0 | 112.8 | ||||
| 928 | P | 44.1 | Very low | 37 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -146 | 162.9 | 8.7 | 46 | -26.1 | 0 | 0 | 0 | 120.8 | ||||
| 929 | L | 28.6 | Very low | 36.6 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | 28.5 | 165.9 | 127.1 | -59.8 | 175.7 | 0 | 0 | 0 | 123.4 | |||||
| 930 | P | 47.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -144.4 | -157.2 | -29.4 | 39.4 | -18.3 | 0 | 0 | 0 | 115.2 | ||||
| 931 | Y | 28.6 | Very low | 34 | Very low | 207 Ų | 207 | 127.6 Ų | 127.6 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 82.7 | 133 | 162 | -103.1 | -124.2 | 0 | 0 | 0 | 117.2 | ||||
| 932 | A | 34.4 | Very low | 33.8 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | cis | -163.9 | 169.9 | 3.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 933 | D | 33.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | cis | -155 | -125 | -6.8 | -157.7 | 70.7 | 0 | 0 | 0 | 112.5 | ||||
| 934 | V | 36.6 | Very low | 33.4 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | -128.5 | 152.6 | -167.8 | 171 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 935 | V | 32.1 | Very low | 33.1 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -175.6 | 174.5 | 97.9 | -122.9 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 936 | S | 29.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -156.6 | -172.2 | 11.6 | -147.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 937 | S | 27.9 | Very low | 32 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -90 | 152.7 | 178.7 | 49.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 938 | V | 27.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | cis | 77.3 | 144 | 40.6 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 939 | P | 43.6 | Very low | 29.8 | Very low | 128 Ų | 128 | 125 Ų | 125 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -131.1 | -178.8 | 9.2 | 37.5 | -18 | 0 | 0 | 0 | 117.9 | ||||
| 940 | G | 25.6 | Very low | 29.5 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -177 | 145.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 941 | T | 29.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -157.6 | 168.9 | -175.3 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 942 | M | 24.7 | Very low | 28.3 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | 70.7 | 148.6 | 164.4 | -60.8 | -60.1 | 101.7 | 0 | 0 | 118.5 | ||||
| 943 | S | 26 | Very low | 28.2 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -167.2 | 157.6 | -17.3 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 944 | S | 25.4 | Very low | 27.9 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | 66.9 | 167.7 | 156.3 | 81.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 945 | G | 24.5 | Very low | 27.4 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 131.5 | 109 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 946 | R | 26.2 | Very low | 27.3 | Very low | 251 Ų | 251 | 127 Ų | 127 | 95% | 0.947 | 78% | 0.777 | S | S | * | * | trans | -102.9 | 119.9 | -179.3 | 169.9 | -159.4 | -87.5 | -113.3 | 0.3 | 112.6 | ||||
| 947 | G | 24.2 | Very low | 27.4 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 78.1 | 155.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 948 | G | 24.4 | Very low | 27.4 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 159.8 | 152.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 949 | L | 26.8 | Very low | 27.4 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -131.8 | 140.5 | -178.2 | -85.9 | 166.4 | 0 | 0 | 0 | 112.2 | ||||
| 950 | H | 21.9 | Very low | 26.7 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | 75.9 | 133 | 150.1 | -86.1 | -65 | 0 | 0 | 0 | 124.1 | ||||
| 951 | W | 22.5 | Very low | 26.8 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 95.9 | 146.9 | -62.8 | 124.6 | 0 | 0 | 0 | 123.4 | ||||
| 952 | V | 29.1 | Very low | 26.6 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | 47.2 | 130 | 117.8 | 175.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 953 | P | 32.5 | Very low | 26.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -119.6 | 148.2 | 116.6 | -2.5 | 23.8 | 0 | 0 | 0 | 112.3 | |||||
| 954 | S | 25.5 | Very low | 27 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | 72 | 139.1 | 64.6 | -45.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 955 | Y | 27.6 | Very low | 27.5 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | cis | -136.5 | 176.8 | 9.6 | -82.5 | -89.4 | 0 | 0 | 0 | 109.1 | ||||
| 956 | G | 29.4 | Very low | 27.5 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 136.1 | 161.2 | 5.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 957 | A | 30.6 | Very low | 28.1 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | cis | -117.9 | -98 | -20.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 958 | D | 28.9 | Very low | 28.1 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -166.7 | 158.9 | -20.1 | -144.7 | 18.2 | 0 | 0 | 0 | 106.5 | ||||
| 959 | I | 27.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | cis | -140.5 | -169.9 | 5.9 | -17.9 | 78.7 | 0 | 0 | 0 | 109.6 | ||||
| 960 | Y | 28.2 | Very low | 28 | Very low | 221 Ų | 221 | 145.4 Ų | 145.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | 82.2 | 141.6 | 168.6 | -68.1 | -63 | 0 | 0 | 0 | 118.9 | ||||
| 961 | Q | 27.1 | Very low | 28.3 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -157.3 | 176.5 | -139.4 | -153.8 | 176 | 22.7 | 0 | 0 | 112.4 | ||||
| 962 | C | 24.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 84.4 | 136.9 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 963 | S | 27.4 | Very low | 28.3 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -166.1 | 155.1 | -22.5 | 37.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 964 | L | 31.8 | Very low | 28.1 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -71.8 | 173.2 | 175.9 | -75.1 | 163 | 0 | 0 | 0 | 112.6 | ||||
| 965 | P | 35.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -148 | -173.5 | 24.9 | 43.6 | -21.4 | 0 | 0 | 0 | 120 | ||||
| 966 | K | 25.3 | Very low | 28.5 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -28.3 | 171.7 | 157.4 | -80.5 | 174.8 | -178.9 | 175.5 | 0 | 119 | ||||
| 967 | P | 38.7 | Very low | 28.3 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -143.8 | 175.9 | -17.3 | 37.9 | -18 | 0 | 0 | 0 | 118 | ||||
| 968 | A | 23.7 | Very low | 28.2 | Very low | 86 Ų | 86 | 151.5 Ų | 151.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 71.3 | 173.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 969 | F | 26.6 | Very low | 28.1 | Very low | 207 Ų | 207 | 152.4 Ų | 152.4 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | 86 | 158.4 | 172.4 | -73 | -82.7 | 0 | 0 | 0 | 120.8 | ||||
| 970 | R | 24.3 | Very low | 28.1 | Very low | 223 Ų | 223 | 149.9 Ų | 149.9 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -100.7 | 158.3 | -178 | -56.5 | 176.1 | 176.1 | -174.3 | -1.8 | 109.5 | ||||
| 971 | F | 26.3 | Very low | 28 | Very low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | -179.7 | 125.5 | 118.9 | -94.6 | -65.2 | 0 | 0 | 0 | 111.4 | |||||
| 972 | T | 24.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 2.2 | 134.9 | 140.2 | 57.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 973 | Q | 27.2 | Very low | 29.4 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | -157 | 118.2 | 107.5 | -114.5 | 171.9 | -11.2 | 0 | 0 | 113.6 | |||||
| 974 | L | 28.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -77.8 | 158.1 | 151.5 | -98.3 | 164.8 | 0 | 0 | 0 | 107.4 | ||||
| 975 | P | 33.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | -147.7 | 148.4 | 60.5 | 38.7 | -18.9 | 0 | 0 | 0 | 118.5 | |||||
| 976 | E | 28.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 124.1 | 134.6 | 174.7 | -179.8 | -145.8 | 0 | 0 | 107.4 | ||||
| 977 | M | 26.3 | Very low | 30.9 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | trans | 179.2 | 158.8 | 148.6 | -102.6 | -70.6 | 102 | 0 | 0 | 112.7 | ||||
| 978 | A | 27.9 | Very low | 30.4 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | -83 | 174.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 979 | V | 26.6 | Very low | 30.7 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 93% | 0.933 | 80% | 0.801 | S | S | * | * | -177.9 | 139.2 | 127.5 | 145 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 980 | G | 26.7 | Very low | 30.7 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 168.9 | 69 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 981 | S | 26.2 | Very low | 31.4 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -144 | 144.5 | 168.6 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 982 | P | 38 | Very low | 32.2 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -144.9 | 169.9 | 112.8 | 29 | -8.9 | 0 | 0 | 0 | 115.3 | |||||
| 983 | P | 44.5 | Very low | 32.4 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -102.4 | -173.9 | -172.1 | 41.8 | -37 | 0 | 0 | 0 | 114.3 | ||||
| 984 | P | 35.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -138.6 | -171.6 | 100.6 | 38.8 | -25.5 | 0 | 0 | 0 | 115.3 | |||||
| 985 | L | 29.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -109.7 | -152 | -161.5 | -58.6 | 165.6 | 0 | 0 | 0 | 114 | ||||
| 986 | P | 46.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -120.9 | -167 | -119.6 | 39.4 | -17.8 | 0 | 0 | 0 | 113.8 | |||||
| 987 | P | 39.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -156.2 | 155.8 | 90.9 | 40.4 | -21.2 | 0 | 0 | 0 | 119.1 | |||||
| 988 | R | 29.5 | Very low | 31.7 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 66.3 | 137.8 | 142.7 | -93.2 | -172.6 | 157.4 | 92.5 | -0.9 | 124.2 | ||||
| 989 | T | 29 | Very low | 31.6 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 60.7 | 111.6 | 145.1 | 51.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 990 | G | 26.5 | Very low | 31.4 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -99.7 | -149.8 | 137.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 991 | P | 39.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | cis | -122.4 | -140.2 | -10.7 | 35.1 | -11.8 | 0 | 0 | 0 | 108.8 | ||||
| 992 | P | 42.7 | Very low | 31.5 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | cis | -145.4 | 172.1 | -13.7 | 43.5 | -24.4 | 0 | 0 | 0 | 119.3 | ||||
| 993 | H | 29.2 | Very low | 31 | Very low | 178 Ų | 178 | 137 Ų | 137 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | 63.7 | 157.4 | 133.4 | -70.5 | -30.2 | 0 | 0 | 0 | 127.5 | ||||
| 994 | R | 27.3 | Very low | 30.3 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 78.7 | 127.7 | 159.4 | -70.1 | -168.3 | 174 | 178.8 | -3.2 | 117.7 | ||||
| 995 | T | 26.5 | Very low | 30 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | 68.4 | 141.7 | 52.9 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 996 | S | 22.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | cis | -179.1 | -176.5 | -8.6 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 997 | L | 26.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 76 | 134.2 | 164 | -61.3 | 161 | 0 | 0 | 0 | 116.3 | ||||
| 998 | R | 26.5 | Very low | 29 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | 70.1 | 133.6 | 71.9 | -127.4 | -172 | -176.9 | -170.2 | 2.9 | 111.7 | |||||
| 999 | R | 24.8 | Very low | 29 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -139.3 | 162.2 | 19.8 | -74.8 | 174.9 | 174.1 | 112.7 | -6.1 | 109 | ||||
| 1000 | S | 23.9 | Very low | 28.8 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | 78.5 | 142.7 | 38.9 | -173.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1001 | T | 26.3 | Very low | 28.7 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | 85.8 | 137.8 | 179.1 | 63.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1002 | S | 28.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | cis | -167.7 | 166.3 | -15.4 | 45.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1003 | D | 26.9 | Very low | 27 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | 173.1 | 144.3 | 113.4 | -92.8 | 7.4 | 0 | 0 | 0 | 117.1 | |||||
| 1004 | L | 29.1 | Very low | 26.7 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 54.3 | 137.2 | 147.6 | -59 | 170.5 | 0 | 0 | 0 | 123.1 | ||||
| 1005 | G | 29.4 | Very low | 26.7 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -137.6 | -178.6 | 160 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1006 | P | 39 | Very low | 26.7 | Very low | 135 Ų | 135 | 136 Ų | 136 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | -154.7 | -170.7 | 117.5 | 38.6 | -18.9 | 0 | 0 | 0 | 117 | |||||
| 1007 | K | 28.6 | Very low | 26.8 | Very low | 211 Ų | 211 | 138.1 Ų | 138.1 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -26.5 | 161.6 | 169.3 | -58.9 | 168.5 | -179.1 | 172 | 0 | 117.8 | ||||
| 1008 | G | 26.5 | Very low | 26.8 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | cis | -173.7 | -148.9 | 18.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1009 | R | 30.4 | Very low | 26.7 | Very low | 259 Ų | 259 | 139.2 Ų | 139.2 | 98% | 0.977 | 78% | 0.776 | S | S | * | * | trans | -97.2 | 145.2 | -162.5 | -67.3 | 175.4 | 170.4 | 172.2 | -5.1 | 117.4 | ||||
| 1010 | S | 24.2 | Very low | 26.7 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -163.5 | 132.8 | 147 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1011 | S | 24.6 | Very low | 26.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | 85.4 | 117.9 | 58.3 | -64.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1012 | E | 22.9 | Very low | 26.9 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 69.6 | 117.2 | 146.5 | -65.7 | -171.8 | 120.4 | 0 | 0 | 124.9 | ||||
| 1013 | I | 23.4 | Very low | 26.7 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | 71.8 | 87.7 | 119.4 | -59.7 | 171.9 | 0 | 0 | 0 | 120.7 | |||||
| 1014 | S | 23.6 | Very low | 26.5 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 82.3 | 164.4 | 117.4 | 80.7 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1015 | V | 25.7 | Very low | 26.5 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | 82.6 | 105.7 | 162.1 | -175.1 | 0 | 0 | 0 | 0 | 120.7 | E1017 | V1015-E1017 HydrophobicContact CG1-CB 4.41Š| ||
| 1016 | A | 26.2 | Very low | 26.8 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | -166.9 | 110 | 118.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 1017 | E | 25.8 | Very low | 26.3 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 64% | 0.64 | 78% | 0.78 | S | S | * | * | cis | 60.6 | 105.9 | 46.6 | -167.6 | 158.1 | -149.8 | 0 | 0 | 115.5 | V1015 R1019 | V1015-E1017 HydrophobicContact CG1-CB 4.41Å; E1017-R1019 WeakPolarHBondContact OE1-CD 3.38Å; E1017-R1019 IonicContact OE1-NH1 2.71Å | ||
| 1018 | M | 26.3 | Very low | 26.1 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 96% | 0.961 | 77% | 0.768 | S | S | * | * | trans | -143.2 | 144 | 143.8 | -172.5 | 161.6 | -83.8 | 0 | 0 | 109.1 | ||||
| 1019 | R | 25 | Very low | 26.6 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -155.2 | 126.1 | -158.1 | 172 | -173.8 | 176.1 | 168.7 | 0.7 | 113.6 | E1017 | E1017-R1019 WeakPolarHBondContact OE1-CD 3.38Å; E1017-R1019 IonicContact OE1-NH1 2.71Å | ||
| 1020 | S | 25.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -166.2 | 135.2 | 156.3 | -156.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1021 | Q | 26.7 | Very low | 26.5 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 61% | 0.607 | 76% | 0.758 | S | S | * | * | cis | 65.2 | 138.4 | 38.7 | -57 | -163.5 | -21.6 | 0 | 0 | 112.5 | ||||
| 1022 | R | 26.1 | Very low | 26.6 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | cis | -160.6 | 151.4 | 27.6 | -157.4 | 173.2 | -171.7 | 151.8 | 6.9 | 115.1 | ||||
| 1023 | E | 24.3 | Very low | 26.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | 4.3 | 138.6 | 157.1 | -53.4 | 164.3 | 85.3 | 0 | 0 | 122.7 | ||||
| 1024 | K | 24.3 | Very low | 26.8 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | 179.3 | 146.6 | 102.9 | -97.2 | 173.4 | -178.4 | 178.5 | 0 | 115.5 | |||||
| 1025 | N | 28.2 | Very low | 27 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -87.4 | 168 | 166.2 | -69.1 | -7.3 | 0 | 0 | 0 | 111.3 | ||||
| 1026 | P | 36.7 | Very low | 27.8 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | -153.9 | 162.2 | 102.7 | 41.7 | -25.2 | 0 | 0 | 0 | 118.1 | |||||
| 1027 | Y | 26.7 | Very low | 27.7 | Very low | 241 Ų | 241 | 147.6 Ų | 147.6 | 95% | 0.945 | 77% | 0.774 | S | S | * | * | trans | 61.9 | 159.2 | 163.4 | -66.2 | -68 | 0 | 0 | 0 | 120.9 | ||||
| 1028 | G | 25.1 | Very low | 27.7 | Very low | 64 Ų | 64 | 148.5 Ų | 148.5 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -164.9 | -175.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1029 | P | 37.1 | Very low | 27.7 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -145.3 | 172.4 | 144.1 | 31.7 | -11.9 | 0 | 0 | 0 | 116.8 | ||||
| 1030 | F | 27.8 | Very low | 27.8 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -29.2 | 167.9 | 169.8 | -54.4 | -87.9 | 0 | 0 | 0 | 119.7 | ||||
| 1031 | T | 25.5 | Very low | 27.9 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | cis | -163 | 139.7 | 25.6 | -21.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1032 | R | 27.1 | Very low | 28 | Very low | 226 Ų | 226 | 145.2 Ų | 145.2 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 34.4 | 108.5 | 135 | -173.1 | 177.1 | -83.6 | 154.2 | -6.6 | 124.1 | ||||
| 1033 | A | 25.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | 39.4 | 145.9 | 120 | 0 | 0 | 0 | 0 | 0 | 126 | |||||
| 1034 | A | 24.1 | Very low | 28.4 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -148.1 | 163.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1035 | L | 28.1 | Very low | 29.2 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -133.5 | -147.6 | -179 | -68.9 | 169.1 | 0 | 0 | 0 | 111.3 | ||||
| 1036 | P | 42.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | -131 | -176.8 | -106.1 | 43.1 | -25.2 | 0 | 0 | 0 | 116.3 | |||||
| 1037 | S | 23.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -142.6 | 139.2 | 158.7 | 46.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1038 | I | 25.5 | Very low | 28.8 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | cis | 76.2 | 121.5 | 39.1 | -59.3 | 173.2 | 0 | 0 | 0 | 111.5 | ||||
| 1039 | A | 25.7 | Very low | 29 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | cis | -165.5 | 165.4 | -14 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1040 | A | 27.5 | Very low | 28.8 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -158.5 | 110.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1041 | E | 27 | Very low | 29.4 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 31.7 | 145.8 | 149.7 | -63.9 | -57.4 | 102.5 | 0 | 0 | 124.4 | ||||
| 1042 | Q | 28.5 | Very low | 29.6 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -134.8 | 139.3 | 175.8 | 176 | -172 | 18.4 | 0 | 0 | 110.1 | V1044 | Q1042-V1044 HydrophobicContact CG-CG2 4.3Š| ||
| 1043 | P | 30.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -126.3 | 156.4 | 152.1 | 35.1 | -23.6 | 0 | 0 | 0 | 113.6 | ||||
| 1044 | V | 28.3 | Very low | 30 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | -133.1 | 176.3 | 171.8 | -130.9 | 0 | 0 | 0 | 0 | 108.3 | Q1042 | Q1042-V1044 HydrophobicContact CG-CG2 4.3Š| ||
| 1045 | P | 42.2 | Very low | 30.3 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | -103.9 | 164.7 | -120.7 | 39.9 | -28.9 | 0 | 0 | 0 | 114.9 | |||||
| 1046 | N | 26.5 | Very low | 30.4 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 171.6 | 169.2 | 126.8 | -89.8 | -45.8 | 0 | 0 | 0 | 113.2 | |||||
| 1047 | Y | 27.6 | Very low | 29.7 | Very low | 215 Ų | 215 | 133.1 Ų | 133.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 75.9 | 100 | 167.5 | -81.2 | -81.2 | 0 | 0 | 0 | 121.1 | ||||
| 1048 | S | 27.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 43.3 | 124.8 | 128.5 | 66.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1049 | G | 29.1 | Very low | 30.2 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 161.2 | 130 | 155 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1050 | N | 34.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 144.5 | 168.1 | -68.3 | -17.2 | 0 | 0 | 0 | 110 | ||||
| 1051 | P | 40.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -116 | 136.7 | 148 | 34.1 | -25.9 | 0 | 0 | 0 | 111.5 | ||||
| 1052 | I | 28.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -103.5 | 137.4 | 169.7 | -73.2 | 174.5 | 0 | 0 | 0 | 107.8 | ||||
| 1053 | T | 32.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | 34.8 | 112 | 169.7 | 58.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1054 | A | 29.3 | Very low | 31 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -130.8 | 134.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1055 | V | 29.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -102.6 | 134.8 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1056 | Y | 30.5 | Very low | 30.4 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 161.5 | 157.8 | 130.6 | -101.7 | -76.3 | 0 | 0 | 0 | 114.9 | ||||
| 1057 | A | 29.3 | Very low | 30.5 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | 72.2 | 130.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1058 | I | 31.4 | Very low | 30.6 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -94.3 | 121.3 | 164.6 | -60.4 | 165.7 | 0 | 0 | 0 | 107.8 | ||||
| 1059 | P | 28.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 109.9 | 166.7 | 31.8 | -28.6 | 0 | 0 | 0 | 110.1 | ||||
| 1060 | A | 28.3 | Very low | 30.7 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -86.7 | 116.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1061 | A | 29.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -143.4 | 119.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1062 | K | 36.7 | Very low | 29.9 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -116.8 | 151.9 | 167.1 | -77.3 | -171.1 | 175.4 | -174.3 | 0 | 109.2 | ||||
| 1063 | P | 33.5 | Very low | 29.8 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | -139.2 | 159.2 | 128.5 | 37.3 | -26.1 | 0 | 0 | 0 | 113.6 | |||||
| 1064 | G | 27.6 | Very low | 29.8 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 99.6 | 145.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1065 | Y | 29.5 | Very low | 29.7 | Very low | 221 Ų | 221 | 140 Ų | 140 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -152.9 | 176.9 | -176.1 | -120.5 | -76 | 0 | 0 | 0 | 110.7 | ||||
| 1066 | S | 29 | Very low | 29.6 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | 89.8 | 127.9 | 177.4 | -167.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1067 | E | 27 | Very low | 29.5 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | cis | -165.9 | -175.6 | -17.3 | -123.8 | 155 | 135.4 | 0 | 0 | 112.4 | ||||
| 1068 | Y | 31.3 | Very low | 29.5 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | 99.6 | 127.5 | 167.9 | -65 | -77.5 | 0 | 0 | 0 | 118.9 | ||||
| 1069 | F | 28.8 | Very low | 29.4 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -105.9 | 145.4 | -173.5 | -87.6 | -106.8 | 0 | 0 | 0 | 112.5 | ||||
| 1070 | V | 28.4 | Very low | 29.9 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | -143.9 | 128 | 125.9 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1071 | P | 30.8 | Very low | 30 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -89.7 | 138 | -179.7 | 33.7 | -32.9 | 0 | 0 | 0 | 113.1 | ||||
| 1072 | T | 28.5 | Very low | 30 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -114.8 | 136 | 164.6 | 50 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1073 | S | 26.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 125.3 | -170.1 | 53.6 | 0 | 0 | 0 | 0 | 114 | ||
| 1074 | P | 32.5 | Very low | 29.3 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78 | 144.3 | 169.8 | 32.2 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 1075 | T | 27.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.7 | 176.7 | 49.3 | 0 | 0 | 0 | 0 | 112 | ||
| 1076 | S | 27.5 | Very low | 29.7 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78 | 143.8 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1077 | Y | 28.8 | Very low | 30.1 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -122.1 | 151.1 | 162.3 | -115.7 | -92.3 | 0 | 0 | 0 | 109.3 | ||||
| 1078 | H | 29.1 | Very low | 30.2 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -74.1 | 143.4 | -167.3 | -69.2 | -94.5 | 0 | 0 | 0 | 115.1 | ||||
| 1079 | S | 28.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -163.5 | 151.7 | 122.1 | 29.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1080 | P | 40.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -105.8 | 137.9 | -168.6 | 37.4 | -31.2 | 0 | 0 | 0 | 114.5 | ||||
| 1081 | S | 29.7 | Very low | 31 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -146 | 161.4 | 158.2 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1082 | W | 30 | Very low | 31.1 | Very low | 248 Ų | 248 | 148.5 Ų | 148.5 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -97.5 | 166.6 | -162.7 | -96.1 | 35 | 0 | 0 | 0 | 114.9 | ||||
| 1083 | M | 27.3 | Very low | 30.9 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 71% | 0.709 | 82% | 0.822 | S | S | * | * | trans | 77.7 | 117.2 | 170.8 | -54.2 | -169.9 | 71.2 | 0 | 0 | 116.9 | Y1085 | M1083-Y1085 HydrophobicContact CE-CE2 4.15Š| ||
| 1084 | S | 27.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -125.4 | 125.3 | 159.4 | -54.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1085 | Y | 30.8 | Very low | 31 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 149.1 | 171.2 | -84.6 | -100.6 | 0 | 0 | 0 | 110 | M1083 | M1083-Y1085 HydrophobicContact CE-CE2 4.15Š|
| 1086 | P | 35.3 | Very low | 31.2 | Very low | 108 Ų | 108 | 156.8 Ų | 156.8 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 143.9 | 169.4 | 31.1 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 1087 | P | 36.3 | Very low | 31.1 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.4 | 170.7 | 30.8 | -32.6 | 0 | 0 | 0 | 110.9 | ||
| 1088 | E | 30.7 | Very low | 31 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80 | 161 | 163.6 | -79.7 | -170.4 | 131.3 | 0 | 0 | 111.1 | E1090 | E1088-E1090 PolarHBondContact O-N 2.93Š|
| 1089 | P | 42 | Very low | 30.9 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -107 | 54.4 | -145.7 | 40.7 | -35.8 | 0 | 0 | 0 | 116.1 | ||||
| 1090 | E | 30.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 135.2 | 168.3 | -81.6 | 152.4 | -151.5 | 0 | 0 | 106.8 | E1088 | E1088-E1090 PolarHBondContact O-N 2.93Š| ||
| 1091 | D | 32.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | cis | -122.6 | 136.3 | 19.5 | -65.5 | -65.6 | 0 | 0 | 0 | 114.1 | ||||
| 1092 | V | 32.1 | Very low | 30.6 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -134.7 | 119.9 | 164.1 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1093 | H | 24.9 | Very low | 31.1 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -124.1 | 101.2 | -172.6 | -140.6 | -49.2 | 0 | 0 | 0 | 113.1 | ||||
| 1094 | P | 33.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -121.2 | 111.4 | 166.9 | 31.6 | -15.1 | 0 | 0 | 0 | 111.3 | ||||
| 1095 | Q | 26.6 | Very low | 31 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -107.7 | 97.8 | -178.8 | -176 | -169.6 | 8.3 | 0 | 0 | 112.5 | ||||
| 1096 | W | 31.2 | Very low | 30.9 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -152.4 | 105.8 | 149.4 | -74.3 | 89.8 | 0 | 0 | 0 | 105.9 | ||||
| 1097 | T | 26.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 64% | 0.638 | 79% | 0.79 | S | S | * | * | 52.1 | 132.6 | 82.7 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1098 | D | 25.6 | Very low | 30 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | cis | -163.8 | 178 | -14.8 | -163.8 | 1 | 0 | 0 | 0 | 108.8 | ||||
| 1099 | S | 27.6 | Very low | 30.1 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 74 | 121 | 165.6 | 70.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1100 | G | 26.3 | Very low | 29.6 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -91.8 | -161.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1101 | P | 38.3 | Very low | 30 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | cis | -139 | -174.1 | 24.2 | 42.1 | -23 | 0 | 0 | 0 | 117 | ||||
| 1102 | L | 26.8 | Very low | 30.4 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -55.2 | 178.8 | 161.5 | -72.2 | 161.4 | 0 | 0 | 0 | 114.5 | ||||
| 1103 | P | 40.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -138.5 | -175.5 | -28 | 33.9 | -14.6 | 0 | 0 | 0 | 114.4 | ||||
| 1104 | G | 26.4 | Very low | 30.1 | Very low | 60 Ų | 60 | 142.4 Ų | 142.4 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | 132.5 | 134.1 | 132.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1105 | Y | 27 | Very low | 30.6 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | 45.5 | 115.8 | 148.3 | -68.1 | -90.1 | 0 | 0 | 0 | 120.1 | ||||
| 1106 | A | 26.9 | Very low | 30.8 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | 82.9 | 146.5 | 77.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 1107 | E | 26.2 | Very low | 30.7 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | cis | -157.9 | 167.4 | -1.3 | -136.1 | 178.8 | 151.6 | 0 | 0 | 112 | ||||
| 1108 | A | 26.4 | Very low | 30.7 | Very low | 67 Ų | 67 | 136 Ų | 136 | 55% | 0.554 | 78% | 0.776 | S | S | * | * | trans | 46.7 | 110.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1109 | F | 33.3 | Very low | 31.6 | Very low | 200 Ų | 200 | 133.6 Ų | 133.6 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | 70.3 | 160.9 | 134.5 | -72.1 | -61.5 | 0 | 0 | 0 | 118.5 | ||||
| 1110 | P | 32.8 | Very low | 31.5 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -136.8 | -179.3 | 35.6 | 43.3 | -24.4 | 0 | 0 | 0 | 118.3 | ||||
| 1111 | N | 37.7 | Very low | 31.5 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -143.5 | 121.2 | 176.9 | 176.5 | 9.3 | 0 | 0 | 0 | 110.5 | ||||
| 1112 | P | 41.1 | Very low | 31 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | trans | -143.1 | 123 | 166 | 33.8 | -14.2 | 0 | 0 | 0 | 118.1 | ||||
| 1113 | R | 26.8 | Very low | 31.4 | Very low | 224 Ų | 224 | 141 Ų | 141 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 113.3 | 130.6 | -58.4 | -177.9 | -177.8 | -169.4 | 1.9 | 123.2 | ||||
| 1114 | Y | 24.3 | Very low | 30.7 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | 60.4 | 174.6 | 124.8 | -86.5 | -71.9 | 0 | 0 | 0 | 120.8 | |||||
| 1115 | P | 45.1 | Very low | 30.6 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | cis | -137.3 | -177.4 | -17.6 | 34.9 | -14.1 | 0 | 0 | 0 | 117.6 | ||||
| 1116 | Q | 29.1 | Very low | 30.4 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | 70.5 | 157.1 | 152.3 | -78.3 | 159.2 | -15.2 | 0 | 0 | 119.2 | ||||
| 1117 | G | 29.6 | Very low | 30.3 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | cis | -150.5 | -163 | 7.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1118 | S | 26.1 | Very low | 30.2 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -131 | -167.4 | -159.6 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1119 | P | 45.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 148 Ų | 148 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | -132.8 | -164.7 | -56.4 | 36.6 | -18 | 0 | 0 | 0 | 113.7 | |||||
| 1120 | T | 25 | Very low | 29.8 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 61.5 | 121.6 | 153.5 | 53 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1121 | R | 26.1 | Very low | 29.3 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | 179.7 | 135.9 | 101.8 | -102.8 | -175.4 | 178.1 | 175.8 | -0.3 | 115.5 | |||||
| 1122 | L | 27.9 | Very low | 28.6 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -82.8 | 173.8 | 146.4 | -74.5 | 167 | 0 | 0 | 0 | 108 | ||||
| 1123 | P | 35.3 | Very low | 28.1 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -151.9 | -170.4 | 25.7 | 46.4 | -25.2 | 0 | 0 | 0 | 117.8 | ||||
| 1124 | L | 25.9 | Very low | 28.3 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 41.7 | 149 | 137.6 | -94.8 | 68.3 | 0 | 0 | 0 | 121.7 | ||||
| 1125 | Q | 24.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | -169.2 | 153.1 | -3.1 | -154.5 | 169.1 | 22.3 | 0 | 0 | 109 | ||||
| 1126 | Y | 23 | Very low | 27.5 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -162.9 | 156.7 | 133.1 | -127.7 | -100.4 | 0 | 0 | 0 | 111.9 | ||||
| 1127 | S | 24 | Very low | 27.6 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 52% | 0.524 | 76% | 0.761 | S | S | . | * | trans | -58.2 | 144.8 | -161.7 | 53.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1128 | Q | 25.4 | Very low | 27.3 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 67.6 | 151.5 | 132.1 | -68.4 | 176.7 | -25.5 | 0 | 0 | 119.7 | ||||
| 1129 | T | 23.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | cis | -156.7 | 157.1 | 2 | -2.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1130 | L | 26.2 | Very low | 26.4 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 62.7 | 153 | 162 | -99.2 | 63.5 | 0 | 0 | 0 | 117.5 | ||||
| 1131 | E | 23.8 | Very low | 26.4 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -138.7 | 161.7 | 1.6 | -161.3 | 162 | -177.7 | 0 | 0 | 111.5 | ||||
| 1132 | Q | 22.6 | Very low | 26.4 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -128.2 | 170.6 | -175.8 | -117.2 | -174.5 | -11 | 0 | 0 | 108.6 | ||||
| 1133 | P | 29.5 | Very low | 26.4 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -145.5 | -143.1 | 45.4 | 45.9 | -21.9 | 0 | 0 | 0 | 112.8 | ||||
| 1134 | P | 31.7 | Very low | 25.8 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | -135.2 | 177.1 | -120.2 | 37.6 | -13.5 | 0 | 0 | 0 | 118.6 | |||||
| 1135 | T | 24.4 | Very low | 26 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | -15.6 | 141.6 | 151.7 | -42.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1136 | A | 27.8 | Very low | 26.6 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -145.2 | 152.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1137 | P | 32.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -129.3 | -173.6 | -170.4 | 44.2 | -28.8 | 0 | 0 | 0 | 116.3 | ||||
| 1138 | R | 22.6 | Very low | 27.1 | Very low | 228 Ų | 228 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 1 | 144.6 | 156 | -83.6 | -177.9 | 170.5 | 163.8 | -3.5 | 122.4 | ||||
| 1139 | T | 26.4 | Very low | 27.8 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 78.6 | 113.8 | 136.9 | 49.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1140 | V | 25.2 | Very low | 28.2 | Very low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | 78.8 | 132.9 | 122.8 | 176.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1141 | S | 25.6 | Very low | 28.6 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | 99.1 | 119.9 | 156.7 | -115.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1142 | E | 26.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | 68.4 | 136.2 | 134.1 | -77.2 | -176.2 | 108.7 | 0 | 0 | 126.1 | ||||
| 1143 | Q | 28.1 | Very low | 30.1 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | 46.7 | 106 | 142.6 | -57.9 | -173.7 | 42 | 0 | 0 | 120.3 | ||||
| 1144 | S | 22.9 | Very low | 30.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | 175.1 | 154.8 | 107.3 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1145 | L | 29.1 | Very low | 31.1 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -91.6 | 152.5 | 151.8 | -123.3 | 82.1 | 0 | 0 | 0 | 106.6 | ||||
| 1146 | P | 38 | Very low | 31.9 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | -152.1 | 162.1 | 61.4 | 42.4 | -22.9 | 0 | 0 | 0 | 118.3 | |||||
| 1147 | Q | 28 | Very low | 32.8 | Very low | 169 Ų | 169 | 140 Ų | 140 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 53 | 87.9 | 132.5 | -166.9 | 173.8 | -3.1 | 0 | 0 | 120.1 | ||||
| 1148 | V | 29.8 | Very low | 33.4 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -125.6 | 96.9 | 134.7 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1149 | L | 38.9 | Very low | 34.7 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -115.4 | 84.8 | 168.7 | 179 | 76.9 | 0 | 0 | 0 | 107.7 | ||||
| 1150 | K | 33.1 | Very low | 36 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | trans | -170.6 | 160.7 | 164.1 | -109.3 | 164.1 | -176 | -176.4 | 0 | 109.8 | ||||
| 1151 | D | 33.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | trans | 57.9 | 64.6 | 170.6 | -55.3 | -20.3 | 0 | 0 | 0 | 116.7 | ||||
| 1152 | M | 40.3 | Very low | 39.1 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -125.5 | 6.3 | 149.8 | -82.1 | -70.4 | 133 | 0 | 0 | 113.3 | S1154 M1155 | M1152-S1154 VanDerWaalsContact C-N 3.33Å; M1152-M1155 HydrophobicContact CE-SD 4.41Å |
| 1153 | D | 38.3 | Very low | 40.5 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -89.5 | 8.6 | 178.9 | -60.7 | -55.6 | 0 | 0 | 0 | 113.6 | ||
| 1154 | S | 43.2 | Very low | 42.1 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -134 | 9.2 | -167 | 56.7 | 0 | 0 | 0 | 0 | 115.8 | M1152 | M1152-S1154 VanDerWaalsContact C-N 3.33Š|
| 1155 | M | 39.9 | Very low | 44.3 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 60% | 0.596 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -91.4 | 134.1 | 171.7 | -73.2 | -158.6 | 74.3 | 0 | 0 | 112.2 | M1152 | M1152-M1155 HydrophobicContact CE-SD 4.41Š|
| 1156 | P | 40.9 | Very low | 46.3 | Very low | 87 Ų | 87 | 114.5 Ų | 114.5 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | trans | -70.3 | 140.4 | 177 | 29.2 | -34.4 | 0 | 0 | 0 | 111.8 | S1158 | P1156-S1158 PolarHBondContact O-N 3.37Š| ||
| 1157 | L | 46.8 | Very low | 47.4 | Very low | 159 Ų | 159 | 115.4 Ų | 115.4 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 15.3 | -175.2 | -67.2 | 170.2 | 0 | 0 | 0 | 115.2 | L1160 | L1157-L1160 HydrophobicContact CD2-CD1 4.05Š|
| 1158 | S | 45 | Very low | 49.7 | Very low | 108 Ų | 108 | 109.8 Ų | 109.8 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -4.1 | -172 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | P1156 | P1156-S1158 PolarHBondContact O-N 3.37Š|
| 1159 | S | 48.7 | Very low | 51.9 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 60% | 0.601 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -126.7 | 16 | -178.9 | 68.9 | 0 | 0 | 0 | 0 | 115 | S1161 | S1159-S1161 PolarHBondContact O-N 3.39Š|
| 1160 | L | 53.6 | Low | 53.7 | Low | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 60% | 0.601 | S | S | * | * | trans | -77 | 105 | 176.7 | -85.8 | 164.7 | 0 | 0 | 0 | 111.3 | L1157 A1164 | L1157-L1160 HydrophobicContact CD2-CD1 4.05Å; L1160-A1164 HydrophobicContact CD2-CB 4.08Å | ||
| 1161 | S | 56.6 | Low | 55.4 | Low | 65 Ų | 65 | 106.2 Ų | 106.2 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | trans | -53.2 | 141.6 | 168.6 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | S1159 S1163 A1164 L1165 | S1159-S1161 PolarHBondContact O-N 3.39Å; S1161-S1163 PolarHBondContact O-N 2.98Å; S1161-S1163 VanDerWaalsContact O-N 3.11Å; S1161-S1163 PolarHBondContact OG-N 2.88Å; S1161-S1163 PolarHBondContact OG-OG 2.68Å; S1161-A1164 WeakPolarHBondContact O-CB 3.27Å; S1161-A1164 PolarHBondContact O-N 3.1Å; S1161-L1165 PolarHBondContact O-N 3.03Å | ||
| 1162 | T | 60.4 | Low | 57.7 | Low | 113 Ų | 113 | 105.5 Ų | 105.5 | 69% | 0.693 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.9 | -26.3 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | V1166 | T1162-V1166 WeakPolarHBondContact O-CB 3.06Å; T1162-V1166 VanDerWaalsContact O-CG2 3.29Å; T1162-V1166 WeakPolarHBondContact O-CG2 3.29Å; T1162-V1166 PolarHBondContact O-N 3Å |
| 1163 | S | 55.2 | Low | 59.5 | Low | 72 Ų | 72 | 102.6 Ų | 102.6 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.3 | -41.7 | 171.8 | 56.4 | 0 | 0 | 0 | 0 | 113 | S1161 V1166 Q1167 | S1161-S1163 PolarHBondContact O-N 2.98Å; S1161-S1163 VanDerWaalsContact O-N 3.11Å; S1161-S1163 PolarHBondContact OG-N 2.88Å; S1161-S1163 PolarHBondContact OG-OG 2.68Å; S1163-V1166 PolarHBondContact O-N 3.28Å; S1163-Q1167 PolarHBondContact O-N 3.23Å |
| 1164 | A | 61.2 | Low | 61 | Low | 37 Ų | 37 | 97.4 Ų | 97.4 | 31% | 0.306 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1160 S1161 V1166 Q1167 A1168 | L1160-A1164 HydrophobicContact CD2-CB 4.08Å; S1161-A1164 WeakPolarHBondContact O-CB 3.27Å; S1161-A1164 PolarHBondContact O-N 3.1Å; A1164-V1166 VanDerWaalsContact C-N 3.34Å; A1164-V1166 PolarHBondContact O-N 3.06Å; A1164-Q1167 PolarHBondContact O-N 3.49Å; A1164-A1168 PolarHBondContact O-N 2.02Å |
| 1165 | L | 68.9 | Low | 62.4 | Low | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.6 | -45.2 | 173.5 | -170.4 | 77.9 | 0 | 0 | 0 | 111.4 | S1161 Q1167 A1168 I1169 | S1161-L1165 PolarHBondContact O-N 3.03Å; L1165-Q1167 VanDerWaalsContact C-N 3.34Å; L1165-Q1167 PolarHBondContact O-N 2.84Å; L1165-A1168 PolarHBondContact O-N 3.37Å; L1165-I1169 HydrophobicContact CD2-CD1 4.37Å; L1165-I1169 HydrophobicContact CG-CD1 3.97Å; L1165-I1169 WeakPolarHBondContact O-CB 3.06Å; L1165-I1169 VanDerWaalsContact O-CG1 3.29Å; L1165-I1169 WeakPolarHBondContact O-CG1 3.1Å; L1165-I1169 PolarHBondContact O-N 3.2Å |
| 1166 | V | 71.9 | Confident | 63.6 | Low | 64 Ų | 64 | 99.1 Ų | 99.1 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -31.9 | 178 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | T1162 S1163 A1164 R1170 | T1162-V1166 WeakPolarHBondContact O-CB 3.06Å; T1162-V1166 VanDerWaalsContact O-CG2 3.29Å; T1162-V1166 WeakPolarHBondContact O-CG2 3.29Å; T1162-V1166 PolarHBondContact O-N 3Å; S1163-V1166 PolarHBondContact O-N 3.28Å; A1164-V1166 VanDerWaalsContact C-N 3.34Å; A1164-V1166 PolarHBondContact O-N 3.06Å; V1166-R1170 WeakPolarHBondContact O-CB 3.21Å; V1166-R1170 WeakPolarHBondContact O-CG 3.21Å; V1166-R1170 PolarHBondContact O-N 2.81Å |
| 1167 | Q | 62.1 | Low | 64.9 | Low | 126 Ų | 126 | 97.4 Ų | 97.4 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.1 | -43.6 | 171.3 | -79.7 | -178.1 | -70.9 | 0 | 0 | 112.4 | S1163 A1164 L1165 R1170 Q1171 | S1163-Q1167 PolarHBondContact O-N 3.23Å; A1164-Q1167 PolarHBondContact O-N 3.49Å; L1165-Q1167 VanDerWaalsContact C-N 3.34Å; L1165-Q1167 PolarHBondContact O-N 2.84Å; Q1167-R1170 PolarHBondContact O-N 2.88Å; Q1167-Q1171 PolarHBondContact O-N 2.75Å |
| 1168 | A | 75.3 | Confident | 65.5 | Low | 52 Ų | 52 | 96.5 Ų | 96.5 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1164 L1165 R1170 Q1171 E1172 | A1164-A1168 PolarHBondContact O-N 2.02Å; L1165-A1168 PolarHBondContact O-N 3.37Å; A1168-R1170 VanDerWaalsContact C-N 3.32Å; A1168-R1170 PolarHBondContact O-N 2.81Å; A1168-Q1171 PolarHBondContact O-N 3.32Å; A1168-Q1171 VanDerWaalsContact O-N 3.15Å; A1168-E1172 PolarHBondContact O-N 2.86Å |
| 1169 | I | 76 | Confident | 66.3 | Low | 94 Ų | 94 | 98 Ų | 98 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 175.1 | -68.2 | 166.4 | 0 | 0 | 0 | 111 | L1165 Q1171 E1172 V1173 | L1165-I1169 HydrophobicContact CD2-CD1 4.37Å; L1165-I1169 HydrophobicContact CG-CD1 3.97Å; L1165-I1169 WeakPolarHBondContact O-CB 3.06Å; L1165-I1169 VanDerWaalsContact O-CG1 3.29Å; L1165-I1169 WeakPolarHBondContact O-CG1 3.1Å; L1165-I1169 PolarHBondContact O-N 3.2Å; I1169-Q1171 PolarHBondContact O-N 3.35Å; I1169-E1172 PolarHBondContact O-N 3.09Å; I1169-V1173 HydrophobicContact CG2-CG2 4.42Å; I1169-V1173 WeakPolarHBondContact O-CB 3.32Å; I1169-V1173 VanDerWaalsContact O-CG2 3.28Å; I1169-V1173 WeakPolarHBondContact O-CG2 3.28Å; I1169-V1173 PolarHBondContact O-N 2.82Å |
| 1170 | R | 76.9 | Confident | 66.5 | Low | 179 Ų | 179 | 100 Ų | 100 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -34.8 | 176.2 | -77 | 174.6 | -174.9 | -170.7 | 6.3 | 113.1 | V1166 Q1167 A1168 A1174 | V1166-R1170 WeakPolarHBondContact O-CB 3.21Å; V1166-R1170 WeakPolarHBondContact O-CG 3.21Å; V1166-R1170 PolarHBondContact O-N 2.81Å; Q1167-R1170 PolarHBondContact O-N 2.88Å; A1168-R1170 VanDerWaalsContact C-N 3.32Å; A1168-R1170 PolarHBondContact O-N 2.81Å; R1170-A1174 VanDerWaalsContact O-CB 3.24Å; R1170-A1174 WeakPolarHBondContact O-CB 3.37Å; R1170-A1174 PolarHBondContact O-N 3.04Å |
| 1171 | Q | 68.3 | Low | 66.6 | Low | 137 Ų | 137 | 100.8 Ų | 100.8 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74 | -37.2 | 176.5 | -75.9 | -176.3 | -20.6 | 0 | 0 | 112.3 | Q1167 A1168 I1169 A1174 K1175 | Q1167-Q1171 PolarHBondContact O-N 2.75Å; A1168-Q1171 PolarHBondContact O-N 3.32Å; A1168-Q1171 VanDerWaalsContact O-N 3.15Å; I1169-Q1171 PolarHBondContact O-N 3.35Å; Q1171-A1174 PolarHBondContact O-N 2.71Å; Q1171-K1175 PolarHBondContact O-N 2.73Å |
| 1172 | E | 82.3 | Confident | 66.2 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 169.9 | -92.2 | -60.2 | 118.6 | 0 | 0 | 111.6 | A1168 I1169 A1174 K1175 L1176 | A1168-E1172 PolarHBondContact O-N 2.86Å; I1169-E1172 PolarHBondContact O-N 3.09Å; E1172-A1174 VanDerWaalsContact C-N 3.28Å; E1172-A1174 PolarHBondContact O-N 3.41Å; E1172-K1175 WeakPolarHBondContact O-CB 3.47Å; E1172-K1175 PolarHBondContact O-N 2.93Å; E1172-K1175 VanDerWaalsContact O-N 3.15Å; E1172-K1175 WeakPolarHBondContact OE1-CD 3.3Å; E1172-K1175 IonicContact OE1-NZ 3.35Å; E1172-K1175 PolarHBondContact OE1-NZ 2.87Å; E1172-L1176 WeakPolarHBondContact O-CB 3.33Å; E1172-L1176 PolarHBondContact O-N 3.5Å |
| 1173 | V | 78.2 | Confident | 65.8 | Low | 91 Ų | 91 | 102.4 Ų | 102.4 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -36.8 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | I1169 L1176 A1177 | I1169-V1173 HydrophobicContact CG2-CG2 4.42Å; I1169-V1173 WeakPolarHBondContact O-CB 3.32Å; I1169-V1173 VanDerWaalsContact O-CG2 3.28Å; I1169-V1173 WeakPolarHBondContact O-CG2 3.28Å; I1169-V1173 PolarHBondContact O-N 2.82Å; V1173-L1176 PolarHBondContact O-N 3.04Å; V1173-A1177 VanDerWaalsContact O-CB 3.3Å; V1173-A1177 WeakPolarHBondContact O-CB 3.19Å; V1173-A1177 PolarHBondContact O-N 3.08Å |
| 1174 | A | 70.6 | Confident | 65.5 | Low | 60 Ų | 60 | 107.8 Ų | 107.8 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | R1170 Q1171 E1172 K1178 | R1170-A1174 VanDerWaalsContact O-CB 3.24Å; R1170-A1174 WeakPolarHBondContact O-CB 3.37Å; R1170-A1174 PolarHBondContact O-N 3.04Å; Q1171-A1174 PolarHBondContact O-N 2.71Å; E1172-A1174 VanDerWaalsContact C-N 3.28Å; E1172-A1174 PolarHBondContact O-N 3.41Å; A1174-K1178 WeakPolarHBondContact O-CB 3.35Å; A1174-K1178 PolarHBondContact O-N 3.01Å |
| 1175 | K | 71.8 | Confident | 64.7 | Low | 138 Ų | 138 | 114.3 Ų | 114.3 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -43.9 | 170.4 | -82.7 | 178.4 | -179.9 | 172.5 | 0 | 111.5 | Q1171 E1172 K1178 K1179 | Q1171-K1175 PolarHBondContact O-N 2.73Å; E1172-K1175 WeakPolarHBondContact O-CB 3.47Å; E1172-K1175 PolarHBondContact O-N 2.93Å; E1172-K1175 VanDerWaalsContact O-N 3.15Å; E1172-K1175 WeakPolarHBondContact OE1-CD 3.3Å; E1172-K1175 IonicContact OE1-NZ 3.35Å; E1172-K1175 PolarHBondContact OE1-NZ 2.87Å; K1175-K1178 PolarHBondContact O-N 2.66Å; K1175-K1179 WeakPolarHBondContact O-CB 3.5Å; K1175-K1179 PolarHBondContact O-N 2.93Å |
| 1176 | L | 65.8 | Low | 63.3 | Low | 107 Ų | 107 | 122.3 Ų | 122.3 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.3 | -43.1 | -178.5 | -149.1 | 78.9 | 0 | 0 | 0 | 111.2 | E1172 V1173 K1179 Q1180 | E1172-L1176 WeakPolarHBondContact O-CB 3.33Å; E1172-L1176 PolarHBondContact O-N 3.5Å; V1173-L1176 PolarHBondContact O-N 3.04Å; L1176-K1179 PolarHBondContact O-N 2.9Å; L1176-Q1180 PolarHBondContact O-N 3.28Å |
| 1177 | A | 67.1 | Low | 62.8 | Low | 52 Ų | 52 | 125.3 Ų | 125.3 | 43% | 0.43 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1173 Q1180 N1181 | V1173-A1177 VanDerWaalsContact O-CB 3.3Å; V1173-A1177 WeakPolarHBondContact O-CB 3.19Å; V1173-A1177 PolarHBondContact O-N 3.08Å; A1177-Q1180 PolarHBondContact O-N 3.28Å; A1177-N1181 PolarHBondContact O-N 3.08Å; A1177-N1181 VanDerWaalsContact O-N 3.11Å |
| 1178 | K | 59 | Low | 62.9 | Low | 140 Ų | 140 | 125.2 Ų | 125.2 | 61% | 0.609 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.8 | -44.9 | 173.9 | -170.6 | 178.4 | 177.6 | -175.4 | 0 | 111.3 | A1174 K1175 Q1180 N1181 D1182 | A1174-K1178 WeakPolarHBondContact O-CB 3.35Å; A1174-K1178 PolarHBondContact O-N 3.01Å; K1175-K1178 PolarHBondContact O-N 2.66Å; K1178-Q1180 PolarHBondContact O-N 2.79Å; K1178-N1181 PolarHBondContact O-N 3.29Å; K1178-N1181 VanDerWaalsContact O-N 3.1Å; K1178-D1182 VanDerWaalsContact O-CG 3.31Å; K1178-D1182 PolarHBondContact O-N 3.23Å |
| 1179 | K | 61.6 | Low | 62.2 | Low | 140 Ų | 140 | 129.3 Ų | 129.3 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.9 | -23 | 178 | -167.2 | 173.6 | -178.7 | -178.5 | 0 | 113.4 | K1175 L1176 I1183 | K1175-K1179 WeakPolarHBondContact O-CB 3.5Å; K1175-K1179 PolarHBondContact O-N 2.93Å; L1176-K1179 PolarHBondContact O-N 2.9Å; K1179-I1183 VanDerWaalsContact O-CD1 3.29Å; K1179-I1183 WeakPolarHBondContact O-CD1 3.41Å; K1179-I1183 VanDerWaalsContact O-CG1 3.26Å; K1179-I1183 WeakPolarHBondContact O-CG1 3.3Å |
| 1180 | Q | 53.8 | Low | 61.4 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 60% | 0.598 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.6 | -37.1 | 169.3 | -75.8 | -162.5 | -55.9 | 0 | 0 | 112.7 | L1176 A1177 K1178 I1183 | L1176-Q1180 PolarHBondContact O-N 3.28Å; A1177-Q1180 PolarHBondContact O-N 3.28Å; K1178-Q1180 PolarHBondContact O-N 2.79Å; Q1180-I1183 PolarHBondContact O-N 3.28Å |
| 1181 | N | 56.5 | Low | 60.4 | Low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.5 | -44.5 | 171.6 | -82 | 17.3 | 0 | 0 | 0 | 111.4 | A1177 K1178 I1183 F1184 | A1177-N1181 PolarHBondContact O-N 3.08Å; A1177-N1181 VanDerWaalsContact O-N 3.11Å; K1178-N1181 PolarHBondContact O-N 3.29Å; K1178-N1181 VanDerWaalsContact O-N 3.1Å; N1181-I1183 PolarHBondContact O-N 3.47Å; N1181-F1184 PolarHBondContact O-N 3.32Å |
| 1182 | D | 48.4 | Very low | 59.9 | Low | 100 Ų | 100 | 127.8 Ų | 127.8 | 54% | 0.535 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -0.8 | 176.8 | -59.5 | -16.4 | 0 | 0 | 0 | 113.2 | K1178 | K1178-D1182 VanDerWaalsContact O-CG 3.31Å; K1178-D1182 PolarHBondContact O-N 3.23Å |
| 1183 | I | 51.3 | Low | 58.3 | Low | 113 Ų | 113 | 129.6 Ų | 129.6 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -9 | 174.2 | -76.3 | 172.1 | 0 | 0 | 0 | 112.3 | K1179 Q1180 N1181 | K1179-I1183 VanDerWaalsContact O-CD1 3.29Å; K1179-I1183 WeakPolarHBondContact O-CD1 3.41Å; K1179-I1183 VanDerWaalsContact O-CG1 3.26Å; K1179-I1183 WeakPolarHBondContact O-CG1 3.3Å; Q1180-I1183 PolarHBondContact O-N 3.28Å; N1181-I1183 PolarHBondContact O-N 3.47Å |
| 1184 | F | 48.6 | Very low | 56.8 | Low | 185 Ų | 185 | 132.5 Ų | 132.5 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -97.7 | 0.5 | 173.8 | -90 | -82 | 0 | 0 | 0 | 114 | N1181 | N1181-F1184 PolarHBondContact O-N 3.32Š|
| 1185 | E | 45.2 | Very low | 55.6 | Low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | -115.1 | 58.6 | 166.7 | -70.9 | -165.3 | 123.2 | 0 | 0 | 111.7 | ||||
| 1186 | F | 38.3 | Very low | 54.1 | Low | 264 Ų | 264 | 138.6 Ų | 138.6 | 100% | 1.158 | 67% | 0.669 | S | S | * | * | trans | -153.2 | 0 | 162.8 | -105.7 | -68.8 | 0 | 0 | 0 | 112.5 |
Retrieved 1,186 of 1,186 residues in 321.6 ms
(Link to these results)