| 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 | 36.3 | Very low | 38.8 | Very low | 236 Ų | 236 | 139 Ų | 139 | 100% | 1.163 | 80% | 0.801 | S | S | * | * | 0 | 122 | 0 | 177.5 | 170 | 170.6 | 0 | 0 | 106.2 | |||||
| 2 | V | 35.6 | Very low | 38.2 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 71.7 | 140.7 | -172.6 | -170 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | P | 53.8 | Low | 38 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 170.1 | 176.3 | -0.4 | 23.2 | 0 | 0 | 0 | 112.3 | ||||
| 4 | M | 37.6 | Very low | 38.6 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | cis | 77.1 | 130.7 | 45.6 | -114.4 | -57.5 | -174.8 | 0 | 0 | 115.4 | ||||
| 5 | S | 38 | Very low | 38 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | 65.6 | 154.3 | 167.1 | -71.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 6 | E | 36.9 | Very low | 37.5 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -171 | 165.8 | -24.4 | -158.5 | 157.8 | 109.9 | 0 | 0 | 111.2 | ||||
| 7 | Q | 30.9 | Very low | 37.2 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 64.4 | 162.7 | 158.9 | -132.9 | 66.2 | -15.3 | 0 | 0 | 119.6 | ||||
| 8 | A | 42.9 | Very low | 36.8 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -145.7 | 159.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | D | 32.2 | Very low | 36.4 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -159.4 | 169.9 | 159 | -149.2 | -14.3 | 0 | 0 | 0 | 112.1 | ||||
| 10 | A | 36.8 | Very low | 36.1 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | 75.2 | 142.5 | 172 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 11 | P | 46.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -143.7 | -172.5 | -142.1 | 43.7 | -22.5 | 0 | 0 | 0 | 117.8 | ||||
| 12 | L | 31.3 | Very low | 36.3 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 73.6 | 106.3 | 157.9 | -66 | 175 | 0 | 0 | 0 | 121.3 | ||||
| 13 | T | 35.9 | Very low | 36 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -63.7 | 178.9 | 139.9 | 19.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | P | 45.8 | Very low | 34.9 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -143.3 | -177.1 | 12.3 | 45.5 | -26.6 | 0 | 0 | 0 | 117.9 | ||||
| 15 | L | 29.4 | Very low | 34.5 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | 40.9 | 132.3 | 136.3 | -75.6 | 165.3 | 0 | 0 | 0 | 125 | ||||
| 16 | S | 30.5 | Very low | 34.4 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 102.9 | 97.8 | 123.2 | -172.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 17 | A | 31.5 | Very low | 34.1 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | 84.7 | 157.1 | 124.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 18 | A | 29.9 | Very low | 34 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 74.9 | 101.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 19 | D | 29.2 | Very low | 33.4 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -169.4 | 131.2 | 106.6 | -100.3 | -21.9 | 0 | 0 | 0 | 108.6 | |||||
| 20 | Q | 30.6 | Very low | 33.2 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 71.1 | 102.5 | 65.3 | -63.9 | -165.6 | 106.4 | 0 | 0 | 115.1 | |||||
| 21 | L | 37.7 | Very low | 32.8 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -107.7 | 114.2 | 168.7 | -84.2 | 164.1 | 0 | 0 | 0 | 109.9 | ||||
| 22 | P | 38.5 | Very low | 31.9 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -89.7 | 134 | 172.3 | 33 | -31.2 | 0 | 0 | 0 | 111.9 | ||||
| 23 | C | 31 | Very low | 31.7 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -82.5 | 159.4 | 166.8 | -164 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 24 | K | 29 | Very low | 31.4 | Very low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -150.2 | 113.6 | 171.6 | -158.9 | 169.7 | -173.2 | 175.8 | 0 | 114 | ||||
| 25 | D | 30.3 | Very low | 30.7 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -72.7 | 154.2 | 173.5 | -71.2 | -68.5 | 0 | 0 | 0 | 114.5 | ||||
| 26 | S | 36.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -160.5 | 117 | 135.7 | -75 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 27 | R | 30.6 | Very low | 30.6 | Very low | 239 Ų | 239 | 136.9 Ų | 136.9 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | 65.2 | 118.1 | 61.6 | -169.4 | -167.1 | -63.7 | -167.2 | 0.1 | 111.2 | |||||
| 28 | G | 28.3 | Very low | 30.5 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 161.6 | -166.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 29 | K | 31.3 | Very low | 30.6 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | trans | 77.5 | 152 | 177.6 | -58.2 | 179.8 | -179.9 | -177.2 | 0 | 115.4 | ||||
| 30 | S | 26.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | -166.8 | 163.4 | -14.9 | 172 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 31 | L | 29.9 | Very low | 31.1 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -7.2 | 152.1 | 156.1 | -47.6 | 165.2 | 0 | 0 | 0 | 118.3 | ||||
| 32 | T | 27.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | cis | -164 | 153.9 | 47.5 | 50 | 0 | 0 | 0 | 0 | 116 | ||||
| 33 | S | 27.1 | Very low | 30.5 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 56 | 142.4 | 135.2 | 67.7 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 34 | S | 28.2 | Very low | 30.6 | Very low | 91 Ų | 91 | 148.9 Ų | 148.9 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 87.2 | 109.7 | 142.4 | -69.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 35 | E | 30.9 | Very low | 30.6 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | 43.8 | 131.1 | 113.9 | -61.3 | 159.9 | 112.2 | 0 | 0 | 121.4 | |||||
| 36 | G | 28.7 | Very low | 30.7 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 177.9 | 130.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 37 | N | 30.6 | Very low | 30.2 | Very low | 155 Ų | 155 | 158.6 Ų | 158.6 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -109.2 | 169.6 | 179.4 | -75.8 | -33.2 | 0 | 0 | 0 | 111.9 | ||||
| 38 | N | 29.5 | Very low | 30 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 74.6 | 115.7 | 157 | -63 | 0.8 | 0 | 0 | 0 | 120.4 | ||||
| 39 | E | 31.6 | Very low | 30 | Very low | 177 Ų | 177 | 156 Ų | 156 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | 49.9 | 150.1 | 114.3 | -88.7 | -179 | 143.5 | 0 | 0 | 126 | |||||
| 40 | E | 34.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 87 | 141.4 | 154.8 | -70.8 | -145.5 | 111.2 | 0 | 0 | 124.5 | ||||
| 41 | E | 34.5 | Very low | 30.7 | Very low | 122 Ų | 122 | 151 Ų | 151 | 57% | 0.57 | 78% | 0.779 | S | S | * | * | trans | 38.3 | 133 | 156.6 | -73.8 | -143.6 | 114.6 | 0 | 0 | 120.9 | ||||
| 42 | R | 33.1 | Very low | 30.6 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | cis | 179.3 | 146 | 42.4 | -132 | 169.8 | -169.7 | 164.7 | 29.4 | 115.1 | ||||
| 43 | R | 30.5 | Very low | 30.6 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 42.1 | 128.2 | 142.3 | -72.1 | 166.6 | -171.1 | -171.9 | 1.8 | 122.1 | ||||
| 44 | Q | 33 | Very low | 30.7 | Very low | 204 Ų | 204 | 150.4 Ų | 150.4 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | -141 | 170.3 | 119.2 | -114.5 | 176.1 | 11.7 | 0 | 0 | 112 | |||||
| 45 | K | 29.3 | Very low | 30.8 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | trans | -144.4 | 121.4 | -144.3 | 177.7 | -175.3 | 174.4 | -175 | 0 | 116 | ||||
| 46 | R | 32.5 | Very low | 30.6 | Very low | 225 Ų | 225 | 152 Ų | 152 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | trans | 38.5 | 130.9 | 150.6 | -61.9 | -174.5 | 179.7 | -174.3 | -0.1 | 121.7 | ||||
| 47 | R | 27.2 | Very low | 30.5 | Very low | 248 Ų | 248 | 155.4 Ų | 155.4 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | -166.3 | 148.2 | 126.6 | -94.3 | 161.3 | -134.8 | -119.5 | 9.4 | 106 | |||||
| 48 | G | 26 | Very low | 30.5 | Very low | 71 Ų | 71 | 154.3 Ų | 154.3 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | cis | 94.2 | 130.9 | 17.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 49 | L | 26.7 | Very low | 30.3 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | cis | -161.3 | 170.9 | -0.2 | -167.2 | 70.7 | 0 | 0 | 0 | 108.3 | ||||
| 50 | A | 29.1 | Very low | 30.1 | Very low | 80 Ų | 80 | 151 Ų | 151 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | -88.9 | -179.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 51 | P | 43.7 | Very low | 29.8 | Very low | 130 Ų | 130 | 152 Ų | 152 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | cis | -138.7 | -143.7 | 12.5 | 44.4 | -22.2 | 0 | 0 | 0 | 115.6 | ||||
| 52 | A | 28.7 | Very low | 29.5 | Very low | 82 Ų | 82 | 152 Ų | 152 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -54.7 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 53 | D | 26.9 | Very low | 29.1 | Very low | 147 Ų | 147 | 152.3 Ų | 152.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -173.1 | 175.6 | 41.1 | -141.1 | -32.8 | 0 | 0 | 0 | 115.5 | ||||
| 54 | L | 30.4 | Very low | 29.4 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | trans | 77 | 132.3 | 154.9 | -70 | 172.6 | 0 | 0 | 0 | 125.8 | ||||
| 55 | Q | 29.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 159.6 | 144.8 | -69.8 | -178.8 | 37.4 | 0 | 0 | 121.5 | ||||
| 56 | L | 27.4 | Very low | 29 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | cis | 175.6 | 139.9 | -41.9 | -117.1 | -178.5 | 0 | 0 | 0 | 108.4 | ||||
| 57 | L | 25.8 | Very low | 28.8 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 167.2 | 138.3 | 136.1 | -111.5 | 72.6 | 0 | 0 | 0 | 116.1 | ||||
| 58 | L | 30 | Very low | 28.8 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 64.7 | 123.5 | 147.5 | -56.7 | -171.6 | 0 | 0 | 0 | 126.3 | ||||
| 59 | D | 25.4 | Very low | 29.1 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | 68.6 | 117.2 | 123.8 | -55.4 | -9 | 0 | 0 | 0 | 124.9 | |||||
| 60 | S | 28.7 | Very low | 29.5 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | -164.7 | 156.6 | 93.4 | -74.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 61 | E | 27.1 | Very low | 29.8 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -96.9 | 159.3 | -168.1 | -56.7 | -174.3 | 96.9 | 0 | 0 | 116.1 | ||||
| 62 | S | 28.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -169.6 | 102.3 | 133.1 | 57.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 63 | E | 24.4 | Very low | 29.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -88.5 | -178.2 | 160.5 | -95.8 | -75.7 | 120.5 | 0 | 0 | 109 | S65 | E63-S65 PolarHBondContact OE2-N 3.41Š| ||
| 64 | P | 38.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -144.9 | 176.5 | 19.3 | 45 | -25.5 | 0 | 0 | 0 | 120.2 | ||||
| 65 | S | 26.7 | Very low | 29.4 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | trans | 95.6 | 113.5 | 131.6 | 69.1 | 0 | 0 | 0 | 0 | 122.9 | E63 | E63-S65 PolarHBondContact OE2-N 3.41Š| ||
| 66 | E | 26.1 | Very low | 29.4 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | 65 | 171.2 | 123.9 | -63.4 | -155.6 | 156.8 | 0 | 0 | 123.6 | |||||
| 67 | S | 27.9 | Very low | 29.7 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | -160.9 | 152.4 | -55.6 | 79.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 68 | R | 28.6 | Very low | 29.9 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | trans | 58 | 105 | 132.1 | -164.2 | -179.2 | -119.7 | -158.2 | 2.3 | 122.3 | ||||
| 69 | K | 32 | Very low | 30.5 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 83.4 | 159.3 | 138.2 | -67.5 | 177.1 | -176.3 | -177.5 | 0 | 121.6 | ||||
| 70 | K | 35.5 | Very low | 30.7 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -83.4 | 168.9 | 179.3 | -53.8 | 174.6 | 178.2 | 179.4 | 0 | 112.7 | ||||
| 71 | P | 34.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | -133.7 | -172.2 | 111.3 | 38 | -28.3 | 0 | 0 | 0 | 114.4 | |||||
| 72 | A | 27.9 | Very low | 31.7 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -113.7 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 73 | S | 30.3 | Very low | 31.7 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 166.1 | 165.9 | 67.7 | 52.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 74 | I | 34.5 | Very low | 32.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | 71.1 | 140.9 | 151.7 | -70.9 | 158.9 | 0 | 0 | 0 | 116.6 | ||||
| 75 | S | 28 | Very low | 32 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | cis | -153.7 | 160.7 | 10.5 | 101.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 76 | R | 30 | Very low | 32.1 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | 65.9 | 148.9 | 156.1 | -71.1 | 174.4 | 172 | 158.2 | -1.9 | 117.9 | ||||
| 77 | Q | 33.3 | Very low | 32.3 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | cis | -150.1 | 160.8 | 7.5 | -135.4 | 156 | -28 | 0 | 0 | 112.4 | ||||
| 78 | K | 30.2 | Very low | 32.3 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 63% | 0.63 | 76% | 0.76 | S | S | * | * | trans | -131.7 | 164.9 | 170.4 | -137.9 | -156.3 | 174.8 | 177.3 | 0 | 107.1 | E81 | K78-E81 IonicContact NZ-OE2 2.69Å; K78-E81 PolarHBondContact NZ-OE2 2.93Å | ||
| 79 | P | 42.7 | Very low | 33 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -130.3 | -168.6 | 49.7 | 33.6 | -10.5 | 0 | 0 | 0 | 112.2 | ||||
| 80 | V | 30.8 | Very low | 33.5 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -138.8 | 174.8 | 18.7 | -179 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 81 | E | 30.7 | Very low | 33.4 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | -131.7 | -173.8 | -173.9 | -111.4 | -178.3 | 88.5 | 0 | 0 | 111.1 | K78 | K78-E81 IonicContact NZ-OE2 2.69Å; K78-E81 PolarHBondContact NZ-OE2 2.93Å | ||
| 82 | P | 44.8 | Very low | 33.7 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -122.5 | -152.1 | 4.7 | 21.5 | 7 | 0 | 0 | 0 | 111.6 | ||||
| 83 | L | 28.8 | Very low | 34.1 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | cis | -150.8 | 139.2 | 13.8 | -84.7 | 170.2 | 0 | 0 | 0 | 113.2 | ||||
| 84 | S | 32 | Very low | 34.5 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 65.1 | 171.9 | 146.4 | 79.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 85 | P | 36.4 | Very low | 34.9 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | -127.1 | 156.6 | -86.5 | 35.6 | -19.1 | 0 | 0 | 0 | 116.8 | |||||
| 86 | M | 28.5 | Very low | 35.9 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 86% | 0.862 | 74% | 0.744 | S | S | * | * | trans | -15.2 | 133.4 | 164.8 | 176.6 | 179.3 | -179.5 | 0 | 0 | 119.2 | ||||
| 87 | L | 30.8 | Very low | 36.2 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | -165.9 | 167.5 | 127.2 | -106.3 | 172.8 | 0 | 0 | 0 | 114.5 | |||||
| 88 | S | 28.3 | Very low | 36.9 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | trans | -34.7 | 148.6 | -166 | -156.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 89 | L | 43.8 | Very low | 37.7 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 88% | 0.88 | 72% | 0.722 | S | S | * | * | trans | -88.8 | 101.6 | 160 | -177.7 | 172.4 | 0 | 0 | 0 | 109.8 | ||||
| 90 | S | 41.7 | Very low | 37.8 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | trans | 171.9 | 114.6 | 157.7 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 91 | D | 33.1 | Very low | 38.8 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | -168.9 | 18.8 | 152.3 | -117.8 | -25.2 | 0 | 0 | 0 | 118.3 | ||||
| 92 | F | 42 | Very low | 39.9 | Very low | 212 Ų | 212 | 132.1 Ų | 132.1 | 93% | 0.93 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -101.6 | -2.6 | -179.4 | -83.4 | -75.8 | 0 | 0 | 0 | 116.3 | ||
| 93 | E | 35.7 | Very low | 40.3 | Very low | 144 Ų | 144 | 131 Ų | 131 | 67% | 0.673 | 68% | 0.682 | S | S | * | * | trans | -104.5 | 11.2 | -172.1 | -76.8 | -100.7 | 84.6 | 0 | 0 | 114.9 | K95 | E93-K95 PolarHBondContact O-N 3.43Š| ||
| 94 | T | 39.2 | Very low | 41.6 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -0.7 | -176.7 | 52.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 95 | K | 42.4 | Very low | 43 | Very low | 191 Ų | 191 | 130.3 Ų | 130.3 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -9.5 | 179.1 | -93.3 | -179.8 | 178.5 | 170.8 | 0 | 116.2 | E93 | E93-K95 PolarHBondContact O-N 3.43Š|
| 96 | L | 48.2 | Very low | 44.4 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 49% | 0.487 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.8 | -50.5 | -176.3 | -158.1 | 77.3 | 0 | 0 | 0 | 113.4 | R98 K99 K100 | L96-R98 PolarHBondContact O-N 2.91Å; L96-K99 WeakPolarHBondContact O-CA 3.43Å; L96-K99 WeakPolarHBondContact O-CB 3.35Å; L96-K99 PolarHBondContact O-N 3.26Å; L96-K100 PolarHBondContact O-N 2.79Å |
| 97 | D | 37 | Very low | 46.3 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 40% | 0.401 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.4 | -29.6 | -165.6 | -86.7 | -96.1 | 0 | 0 | 0 | 115 | K99 K100 S101 | D97-K99 PolarHBondContact O-N 3.34Å; D97-K99 VanDerWaalsContact O-N 3.15Å; D97-K100 VanDerWaalsContact CG-NZ 3.31Å; D97-K100 PolarHBondContact O-N 2.89Å; D97-K100 VanDerWaalsContact O-N 3.14Å; D97-K100 WeakPolarHBondContact OD1-CD 3.48Å; D97-K100 IonicContact OD1-NZ 3.63Å; D97-K100 PolarHBondContact OD1-NZ 2.84Å; D97-K100 IonicContact OD2-NZ 2.63Å; D97-K100 PolarHBondContact OD2-NZ 2.86Å; D97-S101 PolarHBondContact O-N 3.31Å; D97-S101 VanDerWaalsContact O-N 3.16Å |
| 98 | R | 48.9 | Very low | 48.3 | Very low | 212 Ų | 212 | 122.3 Ų | 122.3 | 80% | 0.8 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.6 | -29.7 | 167.8 | -173.2 | 169.6 | 176.4 | 142.7 | -0.1 | 111.9 | L96 Q102 | L96-R98 PolarHBondContact O-N 2.91Å; R98-Q102 WeakPolarHBondContact O-CB 3.3Å; R98-Q102 PolarHBondContact O-N 3.01Å |
| 99 | K | 45.9 | Very low | 50.7 | Low | 143 Ų | 143 | 119.7 Ų | 119.7 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.4 | -35.4 | 178 | -161 | 177.6 | 179.4 | -177.5 | 0 | 112.4 | L96 D97 T103 | L96-K99 WeakPolarHBondContact O-CA 3.43Å; L96-K99 WeakPolarHBondContact O-CB 3.35Å; L96-K99 PolarHBondContact O-N 3.26Å; D97-K99 PolarHBondContact O-N 3.34Å; D97-K99 VanDerWaalsContact O-N 3.15Å; K99-T103 WeakPolarHBondContact O-CB 3.28Å; K99-T103 PolarHBondContact O-N 3.46Å; K99-T103 PolarHBondContact O-OG1 2.96Å |
| 100 | K | 45.9 | Very low | 52.7 | Low | 99 Ų | 99 | 112.9 Ų | 112.9 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.9 | -51.8 | 173.9 | -68.6 | 178.5 | -166.8 | 145.8 | 0 | 111 | L96 D97 Q102 T103 N104 | L96-K100 PolarHBondContact O-N 2.79Å; D97-K100 VanDerWaalsContact CG-NZ 3.31Å; D97-K100 PolarHBondContact O-N 2.89Å; D97-K100 VanDerWaalsContact O-N 3.14Å; D97-K100 WeakPolarHBondContact OD1-CD 3.48Å; D97-K100 IonicContact OD1-NZ 3.63Å; D97-K100 PolarHBondContact OD1-NZ 2.84Å; D97-K100 IonicContact OD2-NZ 2.63Å; D97-K100 PolarHBondContact OD2-NZ 2.86Å; K100-Q102 PolarHBondContact O-N 3Å; K100-T103 PolarHBondContact O-N 3.15Å; K100-N104 PolarHBondContact O-N 3.25Å |
| 101 | S | 50.7 | Low | 54.7 | Low | 82 Ų | 82 | 111.9 Ų | 111.9 | 57% | 0.573 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.1 | -40.3 | 179.8 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | D97 N104 Q105 | D97-S101 PolarHBondContact O-N 3.31Å; D97-S101 VanDerWaalsContact O-N 3.16Å; S101-N104 PolarHBondContact O-N 3.22Å; S101-Q105 PolarHBondContact O-N 3.12Å |
| 102 | Q | 53.6 | Low | 57.1 | Low | 110 Ų | 110 | 110.2 Ų | 110.2 | 51% | 0.514 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.1 | -168.9 | 172.2 | 6.6 | 0 | 0 | 112.1 | R98 K100 N104 Q105 L106 | R98-Q102 WeakPolarHBondContact O-CB 3.3Å; R98-Q102 PolarHBondContact O-N 3.01Å; K100-Q102 PolarHBondContact O-N 3Å; Q102-N104 PolarHBondContact O-N 3.31Å; Q102-Q105 PolarHBondContact O-N 3.1Å; Q102-L106 HydrophobicContact CG-CD1 4.17Å; Q102-L106 WeakPolarHBondContact O-CB 3.34Å; Q102-L106 VanDerWaalsContact O-CG 3.3Å; Q102-L106 WeakPolarHBondContact O-CG 3.49Å; Q102-L106 PolarHBondContact O-N 3.24Å |
| 103 | T | 53.4 | Low | 59.3 | Low | 78 Ų | 78 | 100.1 Ų | 100.1 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | K99 K100 Q105 L106 S107 | K99-T103 WeakPolarHBondContact O-CB 3.28Å; K99-T103 PolarHBondContact O-N 3.46Å; K99-T103 PolarHBondContact O-OG1 2.96Å; K100-T103 PolarHBondContact O-N 3.15Å; T103-Q105 VanDerWaalsContact C-N 3.32Å; T103-Q105 PolarHBondContact O-N 3.09Å; T103-L106 PolarHBondContact O-N 3.22Å; T103-S107 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-OG 2.9Å |
| 104 | N | 56 | Low | 61.8 | Low | 102 Ų | 102 | 94.8 Ų | 94.8 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.5 | -24.2 | 177.9 | -75.8 | -22.7 | 0 | 0 | 0 | 114.1 | K100 S101 Q102 S107 K108 | K100-N104 PolarHBondContact O-N 3.25Å; S101-N104 PolarHBondContact O-N 3.22Å; Q102-N104 PolarHBondContact O-N 3.31Å; N104-S107 PolarHBondContact O-OG 3.38Å; N104-K108 WeakPolarHBondContact O-CG 3.11Å |
| 105 | Q | 61.3 | Low | 64 | Low | 137 Ų | 137 | 97.7 Ų | 97.7 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -80.2 | -40.1 | 170.8 | -168.3 | -178.2 | 61.9 | 0 | 0 | 111.2 | S101 Q102 T103 T109 | S101-Q105 PolarHBondContact O-N 3.12Å; Q102-Q105 PolarHBondContact O-N 3.1Å; T103-Q105 VanDerWaalsContact C-N 3.32Å; T103-Q105 PolarHBondContact O-N 3.09Å; Q105-T109 WeakPolarHBondContact O-CB 3.47Å; Q105-T109 PolarHBondContact O-N 3.17Å; Q105-T109 PolarHBondContact O-OG1 3.41Å |
| 106 | L | 66.2 | Low | 66 | Low | 69 Ų | 69 | 89.8 Ų | 89.8 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.2 | -75 | 168.3 | 0 | 0 | 0 | 112 | Q102 T103 T109 N110 | Q102-L106 HydrophobicContact CG-CD1 4.17Å; Q102-L106 WeakPolarHBondContact O-CB 3.34Å; Q102-L106 VanDerWaalsContact O-CG 3.3Å; Q102-L106 WeakPolarHBondContact O-CG 3.49Å; Q102-L106 PolarHBondContact O-N 3.24Å; T103-L106 PolarHBondContact O-N 3.22Å; L106-T109 PolarHBondContact O-N 3.47Å; L106-N110 VanDerWaalsContact O-CB 3.22Å; L106-N110 WeakPolarHBondContact O-CB 3.45Å; L106-N110 PolarHBondContact O-N 3.05Å |
| 107 | S | 68.4 | Low | 67.9 | Low | 61 Ų | 61 | 85.7 Ų | 85.7 | 43% | 0.427 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.9 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | T103 N104 T109 N110 A111 | T103-S107 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-OG 2.9Å; N104-S107 PolarHBondContact O-OG 3.38Å; S107-T109 VanDerWaalsContact C-N 3.32Å; S107-T109 PolarHBondContact O-N 3.33Å; S107-N110 PolarHBondContact O-N 3.2Å; S107-A111 PolarHBondContact O-N 2.84Å |
| 108 | K | 73.6 | Confident | 70 | Confident | 160 Ų | 160 | 91.5 Ų | 91.5 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 173.5 | -69.6 | 176.5 | -178.4 | -179.1 | 0 | 112.3 | N104 H112 | N104-K108 WeakPolarHBondContact O-CG 3.11Å; K108-H112 PolarHBondContact O-N 3.38Å |
| 109 | T | 78.9 | Confident | 71.4 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 27% | 0.27 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.6 | -34.6 | 179.2 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | Q105 L106 S107 H112 Y113 L126 | Q105-T109 WeakPolarHBondContact O-CB 3.47Å; Q105-T109 PolarHBondContact O-N 3.17Å; Q105-T109 PolarHBondContact O-OG1 3.41Å; L106-T109 PolarHBondContact O-N 3.47Å; S107-T109 VanDerWaalsContact C-N 3.32Å; S107-T109 PolarHBondContact O-N 3.33Å; T109-H112 WeakPolarHBondContact O-CB 3.32Å; T109-H112 PolarHBondContact O-N 3.46Å; T109-Y113 PolarHBondContact O-N 3.22Å; T109-L126 HydrophobicContact CG2-CD2 3.6Å |
| 110 | N | 84.5 | Confident | 73.1 | Confident | 24 Ų | 24 | 78.7 Ų | 78.7 | 13% | 0.128 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69 | -41.1 | 175.3 | 173.6 | -105.6 | 0 | 0 | 0 | 112 | L106 S107 H112 Y113 H114 E124 L126 | L106-N110 VanDerWaalsContact O-CB 3.22Å; L106-N110 WeakPolarHBondContact O-CB 3.45Å; L106-N110 PolarHBondContact O-N 3.05Å; S107-N110 PolarHBondContact O-N 3.2Å; N110-H112 VanDerWaalsContact C-N 3.27Å; N110-H112 PolarHBondContact O-N 2.77Å; N110-Y113 WeakPolarHBondContact O-CA 3.07Å; N110-Y113 WeakPolarHBondContact O-CB 3.37Å; N110-Y113 PolarHBondContact O-N 2.81Å; N110-H114 PolarHBondContact ND2-CD2 3.45Å; N110-H114 PolarHBondContact ND2-NE2 2.79Å; N110-H114 PolarHBondContact O-CD2 2.78Å; N110-H114 PolarHBondContact O-N 3.24Å; N110-H114 PolarHBondContact OD1-NE2 2.91Å; N110-E124 PolarHBondContact ND2-O 2.92Å; N110-L126 HydrophobicContact CB-CB 4.29Å; N110-L126 PolarHBondContact ND2-N 3.47Å |
| 111 | A | 83.1 | Confident | 74.8 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S107 K115 | S107-A111 PolarHBondContact O-N 2.84Å; A111-K115 WeakPolarHBondContact O-CB 3.21Å; A111-K115 PolarHBondContact O-N 3.37Å |
| 112 | H | 85.3 | Confident | 76.1 | Confident | 99 Ų | 99 | 81.2 Ų | 81.2 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 172.2 | -174.2 | 75.4 | 0 | 0 | 0 | 112.4 | K108 T109 N110 K115 L116 | K108-H112 PolarHBondContact O-N 3.38Å; T109-H112 WeakPolarHBondContact O-CB 3.32Å; T109-H112 PolarHBondContact O-N 3.46Å; N110-H112 VanDerWaalsContact C-N 3.27Å; N110-H112 PolarHBondContact O-N 2.77Å; H112-K115 PolarHBondContact O-N 2.8Å; H112-L116 WeakPolarHBondContact O-CG 3.26Å; H112-L116 PolarHBondContact O-N 3.38Å |
| 113 | Y | 87 | Confident | 77.3 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.5 | -52.3 | 176.3 | 171 | -103.6 | 0 | 0 | 0 | 112.4 | T109 N110 K115 L116 F117 V120 L126 F145 S147 C152 | T109-Y113 PolarHBondContact O-N 3.22Å; N110-Y113 WeakPolarHBondContact O-CA 3.07Å; N110-Y113 WeakPolarHBondContact O-CB 3.37Å; N110-Y113 PolarHBondContact O-N 2.81Å; Y113-K115 VanDerWaalsContact C-N 3.26Å; Y113-K115 PolarHBondContact O-N 3.03Å; Y113-L116 WeakPolarHBondContact O-CB 3.49Å; Y113-L116 PolarHBondContact O-N 3.23Å; Y113-F117 AromaticContact CD2-CD2 3.53Å; Y113-F117 HydrophobicContact CD2-CD2 3.53Å; Y113-F117 AromaticContact CD2-CE2 3.89Å; Y113-F117 HydrophobicContact CD2-CE2 3.89Å; Y113-F117 AromaticContact CE2-CD2 3.61Å; Y113-F117 HydrophobicContact CE2-CD2 3.61Å; Y113-F117 HydrophobicContact CE2-CE2 4.03Å; Y113-F117 HydrophobicContact CE2-CG 4.41Å; Y113-F117 HydrophobicContact CG-CD2 4.35Å; Y113-F117 WeakPolarHBondContact O-CD2 3.43Å; Y113-F117 PolarHBondContact O-N 3.17Å; Y113-V120 HydrophobicContact CE1-CB 4.38Å; Y113-V120 HydrophobicContact CE1-CG1 3.98Å; Y113-L126 HydrophobicContact CD2-CD1 4.17Å; Y113-L126 HydrophobicContact CE2-CD1 4.41Å; Y113-L126 HydrophobicContact CG-CD1 4.42Å; Y113-F145 HydrophobicContact CD2-CB 3.54Å; Y113-F145 HydrophobicContact CD2-CD1 4.07Å; Y113-F145 AromaticContact CD2-CG 3.85Å; Y113-F145 HydrophobicContact CD2-CG 3.85Å; Y113-F145 HydrophobicContact CE2-CB 3.54Å; Y113-F145 HydrophobicContact CE2-CG 4.32Å; Y113-S147 WeakPolarHBondContact CE1-OG 3.43Å; Y113-S147 VanDerWaalsContact CZ-OG 3.25Å; Y113-S147 PolarHBondContact OH-OG 3.21Å; Y113-S147 VanDerWaalsContact OH-OG 3.09Å; Y113-C152 HydrophobicContact CE2-CB 3.98Å; Y113-C152 PolarHBondContact OH-SG 2.78Å; Y113-C152 VanDerWaalsContact OH-SG 3.37Å |
| 114 | H | 87.4 | Confident | 78.8 | Confident | 33 Ų | 33 | 79.7 Ų | 79.7 | 15% | 0.153 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.7 | -26.4 | 176.9 | -61.1 | -68.4 | 0 | 0 | 0 | 112.9 | N110 L116 S121 E124 | N110-H114 PolarHBondContact ND2-CD2 3.45Å; N110-H114 PolarHBondContact ND2-NE2 2.79Å; N110-H114 PolarHBondContact O-CD2 2.78Å; N110-H114 PolarHBondContact O-N 3.24Å; N110-H114 PolarHBondContact OD1-NE2 2.91Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-S121 PolarHBondContact CE1-O 2.87Å; H114-S121 PolarHBondContact ND1-O 2.86Å; H114-E124 PolarHBondContact CE1-O 2.63Å; H114-E124 VanDerWaalsContact CE1-O 3.23Å; H114-E124 PolarHBondContact NE2-O 3.29Å |
| 115 | K | 86 | Confident | 80.3 | Confident | 175 Ų | 175 | 80.2 Ų | 80.2 | 76% | 0.761 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.6 | -30.6 | 171 | -174.6 | 170.2 | -179.8 | 173.2 | 0 | 112.8 | A111 H112 Y113 | A111-K115 WeakPolarHBondContact O-CB 3.21Å; A111-K115 PolarHBondContact O-N 3.37Å; H112-K115 PolarHBondContact O-N 2.8Å; Y113-K115 VanDerWaalsContact C-N 3.26Å; Y113-K115 PolarHBondContact O-N 3.03Å |
| 116 | L | 85.5 | Confident | 81.7 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -80 | -43.2 | 173.7 | -70.1 | 175.8 | 0 | 0 | 0 | 112.6 | H112 Y113 H114 F145 H154 | H112-L116 WeakPolarHBondContact O-CG 3.26Å; H112-L116 PolarHBondContact O-N 3.38Å; Y113-L116 WeakPolarHBondContact O-CB 3.49Å; Y113-L116 PolarHBondContact O-N 3.23Å; H114-L116 VanDerWaalsContact C-N 3.34Å; L116-F145 HydrophobicContact CD1-CE2 4.06Å; L116-F145 HydrophobicContact CD1-CZ 4.11Å; L116-H154 HydrophobicContact CD1-CB 4.21Å |
| 117 | F | 86.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | trans | -117.3 | 75 | -170.1 | -56.6 | -77.3 | 0 | 0 | 0 | 111.9 | Y113 A119 V120 F145 C152 F153 H154 K163 S165 | Y113-F117 AromaticContact CD2-CD2 3.53Å; Y113-F117 HydrophobicContact CD2-CD2 3.53Å; Y113-F117 AromaticContact CD2-CE2 3.89Å; Y113-F117 HydrophobicContact CD2-CE2 3.89Å; Y113-F117 AromaticContact CE2-CD2 3.61Å; Y113-F117 HydrophobicContact CE2-CD2 3.61Å; Y113-F117 HydrophobicContact CE2-CE2 4.03Å; Y113-F117 HydrophobicContact CE2-CG 4.41Å; Y113-F117 HydrophobicContact CG-CD2 4.35Å; Y113-F117 WeakPolarHBondContact O-CD2 3.43Å; Y113-F117 PolarHBondContact O-N 3.17Å; F117-A119 PolarHBondContact O-N 3.09Å; F117-V120 HydrophobicContact CB-CG2 4.05Å; F117-V120 PolarHBondContact O-N 3.03Å; F117-V120 VanDerWaalsContact O-N 3.09Å; F117-F145 AromaticContact CE2-CD2 3.75Å; F117-F145 HydrophobicContact CE2-CD2 3.75Å; F117-F145 HydrophobicContact CE2-CE2 4.24Å; F117-F145 HydrophobicContact CE2-CG 4.31Å; F117-F145 HydrophobicContact CZ-CD2 4.2Å; F117-C152 HydrophobicContact CD1-CB 3.9Å; F117-C152 HydrophobicContact CD2-CB 4.02Å; F117-C152 HydrophobicContact CE1-CB 3.66Å; F117-C152 HydrophobicContact CE2-CB 3.78Å; F117-C152 HydrophobicContact CG-CB 4.07Å; F117-C152 HydrophobicContact CZ-CB 3.58Å; F117-F153 WeakPolarHBondContact CE1-O 3.49Å; F117-H154 HydrophobicContact CE1-CB 4.33Å; F117-H154 HydrophobicContact CE2-CB 4.3Å; F117-H154 HydrophobicContact CZ-CB 3.6Å; F117-K163 HydrophobicContact CE1-CB 4.12Å; F117-K163 HydrophobicContact CE1-CG 4.08Å; F117-S165 WeakPolarHBondContact CD1-OG 3.34Å | ||
| 118 | K | 82.4 | Confident | 83.9 | Confident | 198 Ų | 198 | 76.6 Ų | 76.6 | 86% | 0.861 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.3 | 177.5 | -64.3 | -173.8 | 179.4 | -177.2 | 0 | 115 | ||
| 119 | A | 77.3 | Confident | 84.8 | Confident | 79 Ų | 79 | 71.1 Ų | 71.1 | 65% | 0.653 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F117 | F117-A119 PolarHBondContact O-N 3.09Š|
| 120 | V | 83.1 | Confident | 85.5 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -91.5 | 137.7 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | Y113 F117 E124 W150 | Y113-V120 HydrophobicContact CE1-CB 4.38Å; Y113-V120 HydrophobicContact CE1-CG1 3.98Å; F117-V120 HydrophobicContact CB-CG2 4.05Å; F117-V120 PolarHBondContact O-N 3.03Å; F117-V120 VanDerWaalsContact O-N 3.09Å; V120-E124 HydrophobicContact CG1-CB 3.91Å; V120-W150 HydrophobicContact CG1-CG 4.28Å; V120-W150 HydrophobicContact CG2-CB 4.39Å; V120-W150 HydrophobicContact CG2-CD2 4.05Å; V120-W150 HydrophobicContact CG2-CE3 4.43Å; V120-W150 HydrophobicContact CG2-CG 4.03Å |
| 121 | S | 80.4 | Confident | 86 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 38% | 0.378 | 38% | 0.377 | S | S | . | . | trans | -56.2 | 150 | 178.1 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | H114 D123 E124 | H114-S121 PolarHBondContact CE1-O 2.87Å; H114-S121 PolarHBondContact ND1-O 2.86Å; S121-D123 PolarHBondContact O-N 2.97Å; S121-E124 PolarHBondContact O-N 3.3Å | ||
| 122 | K | 77.7 | Confident | 86.5 | Confident | 179 Ų | 179 | 69.5 Ų | 69.5 | 78% | 0.778 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.4 | -177.8 | -65.1 | 178.4 | -176.5 | 172.2 | 0 | 112.8 | E124 | K122-E124 VanDerWaalsContact C-N 3.31Š|
| 123 | D | 79.3 | Confident | 86.9 | Confident | 141 Ų | 141 | 65.1 Ų | 65.1 | 75% | 0.754 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -12.1 | -176.5 | -38.7 | -79.7 | 0 | 0 | 0 | 112 | S121 L125 | S121-D123 PolarHBondContact O-N 2.97Å; D123-L125 PolarHBondContact O-N 3.24Å |
| 124 | E | 86.1 | Confident | 87.2 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | trans | -84.1 | 94.6 | -177.6 | -92.5 | -159.8 | -122.4 | 0 | 0 | 114.2 | N110 H114 V120 S121 K122 L126 S147 Q148 N149 W150 | N110-E124 PolarHBondContact ND2-O 2.92Å; H114-E124 PolarHBondContact CE1-O 2.63Å; H114-E124 VanDerWaalsContact CE1-O 3.23Å; H114-E124 PolarHBondContact NE2-O 3.29Å; V120-E124 HydrophobicContact CG1-CB 3.91Å; S121-E124 PolarHBondContact O-N 3.3Å; K122-E124 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 2.89Å; E124-S147 VanDerWaalsContact OE2-CB 3.31Å; E124-S147 WeakPolarHBondContact OE2-CB 3.4Å; E124-Q148 PolarHBondContact OE2-N 2.99Å; E124-N149 WeakPolarHBondContact OE1-CB 3.3Å; E124-N149 PolarHBondContact OE1-ND2 2.98Å; E124-N149 PolarHBondContact OE2-N 3.18Å; E124-W150 PolarHBondContact OE1-NE1 3.14Å | ||
| 125 | L | 87.3 | Confident | 87.4 | Confident | 114 Ų | 114 | 67.2 Ų | 67.2 | 60% | 0.597 | 34% | 0.343 | S | S | * | . | trans | -61.9 | 122.6 | 173.7 | -59.9 | 178.8 | 0 | 0 | 0 | 112.3 | D123 K127 | D123-L125 PolarHBondContact O-N 3.24Å; L125-K127 PolarHBondContact O-N 2.89Å | ||
| 126 | L | 90.3 | Very high | 87.5 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | trans | -59.9 | 119.8 | 171.1 | 177.3 | 69.1 | 0 | 0 | 0 | 109.9 | T109 N110 Y113 E124 Q128 F145 | T109-L126 HydrophobicContact CG2-CD2 3.6Å; N110-L126 HydrophobicContact CB-CB 4.29Å; N110-L126 PolarHBondContact ND2-N 3.47Å; Y113-L126 HydrophobicContact CD2-CD1 4.17Å; Y113-L126 HydrophobicContact CE2-CD1 4.41Å; Y113-L126 HydrophobicContact CG-CD1 4.42Å; E124-L126 PolarHBondContact O-N 2.89Å; L126-Q128 WeakPolarHBondContact CD1-O 3.44Å; L126-F145 HydrophobicContact CD1-CB 3.71Å; L126-F145 HydrophobicContact CD1-CD1 3.95Å; L126-F145 HydrophobicContact CD1-CG 4.35Å; L126-F145 HydrophobicContact CD2-CD1 3.92Å | ||
| 127 | K | 90.4 | Very high | 87.6 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | trans | -86.3 | -45.2 | -179.3 | -54.6 | -75.9 | 170.8 | 146.5 | 0 | 111.5 | L125 V146 Q148 F210 | L125-K127 PolarHBondContact O-N 2.89Å; K127-V146 WeakPolarHBondContact CA-O 3.39Å; K127-V146 WeakPolarHBondContact CB-O 3.39Å; K127-V146 PolarHBondContact N-O 3.4Å; K127-Q148 VanDerWaalsContact CE-OE1 3.22Å; K127-F210 HydrophobicContact CB-CZ 3.84Å | ||
| 128 | Q | 90.6 | Very high | 87.6 | Confident | 83 Ų | 83 | 75.1 Ų | 75.1 | 39% | 0.388 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 151.4 | -175.2 | -173.2 | 56.4 | 58.6 | 0 | 0 | 111.6 | L126 Y130 V146 F210 | L126-Q128 WeakPolarHBondContact CD1-O 3.44Å; Q128-Y130 HydrophobicContact CB-CE2 4.15Å; Q128-Y130 HydrophobicContact CG-CD2 4.14Å; Q128-Y130 HydrophobicContact CG-CE1 3.9Å; Q128-Y130 HydrophobicContact CG-CE2 3.49Å; Q128-Y130 VanDerWaalsContact CG-CE2 3.49Å; Q128-V146 PolarHBondContact N-O 3.13Å; Q128-V146 PolarHBondContact O-N 3.1Å; Q128-F210 HydrophobicContact CB-CD1 4.31Å; Q128-F210 HydrophobicContact CB-CE1 3.5Å; Q128-F210 VanDerWaalsContact CB-CE1 3.5Å; Q128-F210 HydrophobicContact CB-CE2 4.44Å; Q128-F210 HydrophobicContact CB-CZ 3.57Å; Q128-F210 HydrophobicContact CG-CE1 4.24Å; Q128-F210 HydrophobicContact CG-CZ 4.45Å |
| 129 | S | 92.6 | Very high | 87.9 | Confident | 46 Ų | 46 | 70 Ų | 70 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.7 | 168.4 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | M144 | S129-M144 CarbonylContact C-O 3.53Å; S129-M144 VanDerWaalsContact CA-O 3.32Å; S129-M144 WeakPolarHBondContact CA-O 3.35Å |
| 130 | Y | 93.9 | Very high | 88.7 | Confident | 27 Ų | 27 | 67 Ų | 67 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 125.6 | -179.1 | -60.3 | -79 | 0 | 0 | 0 | 110.8 | Q128 K143 M144 V146 T207 F210 | Q128-Y130 HydrophobicContact CB-CE2 4.15Å; Q128-Y130 HydrophobicContact CG-CD2 4.14Å; Q128-Y130 HydrophobicContact CG-CE1 3.9Å; Q128-Y130 HydrophobicContact CG-CE2 3.49Å; Q128-Y130 VanDerWaalsContact CG-CE2 3.49Å; Y130-K143 WeakPolarHBondContact O-CA 3.33Å; Y130-M144 HydrophobicContact CD2-CE 3.51Å; Y130-M144 HydrophobicContact CE2-CE 4.14Å; Y130-M144 HydrophobicContact CG-CE 4.23Å; Y130-M144 PolarHBondContact N-O 3.36Å; Y130-M144 PolarHBondContact O-N 3.11Å; Y130-V146 HydrophobicContact CD2-CG2 4.28Å; Y130-V146 HydrophobicContact CE2-CG2 4.23Å; Y130-T207 HydrophobicContact CD1-CG2 4.24Å; Y130-T207 VanDerWaalsContact CD1-OG1 3.27Å; Y130-T207 WeakPolarHBondContact CD1-OG1 3.19Å; Y130-T207 HydrophobicContact CD2-CG2 3.89Å; Y130-T207 HydrophobicContact CE1-CG2 4.15Å; Y130-T207 WeakPolarHBondContact CE1-OG1 3.48Å; Y130-T207 HydrophobicContact CE2-CG2 3.76Å; Y130-T207 HydrophobicContact CG-CG2 4.1Å; Y130-F210 HydrophobicContact CE2-CD1 4.02Å; Y130-F210 HydrophobicContact CE2-CE1 4.43Å; Y130-F210 WeakPolarHBondContact OH-CB 3.48Å; Y130-F210 VanDerWaalsContact OH-CD1 3.28Å; Y130-F210 WeakPolarHBondContact OH-CD1 3.43Å; Y130-F210 WeakPolarHBondContact OH-CG 3.3Å |
| 131 | T | 94.3 | Very high | 89.2 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.6 | 166.4 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 132 | C | 93.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 174.1 | -179.1 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | G142 M144 V199 F201 | C132-G142 PolarHBondContact N-O 3.36Å; C132-G142 CarbonylContact O-C 3.53Å; C132-G142 PolarHBondContact O-N 3.01Å; C132-M144 VanDerWaalsContact SG-CB 3.59Å; C132-V199 WeakPolarHBondContact CA-O 3.37Å; C132-V199 WeakPolarHBondContact CB-O 3.4Å; C132-F201 HydrophobicContact CB-CD1 3.76Å; C132-F201 HydrophobicContact CB-CE1 3.53Å; C132-F201 HydrophobicContact CB-CE2 4.31Å; C132-F201 HydrophobicContact CB-CG 4.25Å; C132-F201 HydrophobicContact CB-CZ 3.84Å |
| 133 | A | 93.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y140 F198 V199 | A133-Y140 CarbonylContact C-O 3.59Å; A133-Y140 WeakPolarHBondContact CA-O 3.48Å; A133-F198 CarbonylContact O-C 3.58Å; A133-F198 WeakPolarHBondContact O-CA 3.46Å; A133-V199 HydrophobicContact CB-CG2 3.92Å; A133-V199 PolarHBondContact N-O 2.9Å; A133-V199 PolarHBondContact O-N 2.86Å |
| 134 | L | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 132.7 | 169.8 | 174.4 | 76.6 | 0 | 0 | 0 | 109.1 | R136 Y140 F153 I162 I164 F198 | L134-R136 HydrophobicContact CD2-CG 4.12Å; L134-R136 HydrophobicContact CG-CG 4.24Å; L134-Y140 PolarHBondContact N-O 3.15Å; L134-Y140 PolarHBondContact O-N 2.96Å; L134-F153 HydrophobicContact CB-CD1 4.16Å; L134-F153 HydrophobicContact CB-CE1 3.6Å; L134-F153 HydrophobicContact CB-CZ 3.83Å; L134-F153 HydrophobicContact CD2-CD1 4.41Å; L134-F153 HydrophobicContact CD2-CE1 4.29Å; L134-I162 HydrophobicContact CD2-CG2 4.46Å; L134-I164 HydrophobicContact CD1-CD1 4.12Å; L134-I164 HydrophobicContact CD2-CD1 3.47Å; L134-I164 VanDerWaalsContact CD2-CD1 3.47Å; L134-I164 HydrophobicContact CG-CD1 4.43Å; L134-F198 HydrophobicContact CB-CD1 4.26Å; L134-F198 HydrophobicContact CB-CE1 4.24Å; L134-F198 HydrophobicContact CD1-CD1 3.97Å; L134-F198 HydrophobicContact CD1-CE1 3.62Å; L134-F198 HydrophobicContact CD1-CZ 3.94Å |
| 135 | Q | 91.3 | Very high | 91.8 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.5 | 173.3 | -174.2 | 172.5 | 0.4 | 0 | 0 | 110 | L139 V197 V199 | Q135-L139 HydrophobicContact CB-CD2 3.8Å; Q135-L139 HydrophobicContact CG-CD2 3.98Å; Q135-V197 HydrophobicContact CB-CB 4.16Å; Q135-V197 HydrophobicContact CB-CG1 4.15Å; Q135-V197 PolarHBondContact N-O 2.77Å; Q135-V199 HydrophobicContact CB-CG1 4.3Å |
| 136 | R | 88.4 | Confident | 92.1 | Very high | 117 Ų | 117 | 55.2 Ų | 55.2 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -129.1 | -135.6 | 163.2 | -66.6 | -179 | 174.5 | 175 | -1.5 | 106.6 | L134 M138 Y140 I164 | L134-R136 HydrophobicContact CD2-CG 4.12Å; L134-R136 HydrophobicContact CG-CG 4.24Å; R136-M138 PolarHBondContact N-O 3.22Å; R136-M138 VanDerWaalsContact N-O 3.12Å; R136-M138 PolarHBondContact O-N 2.89Å; R136-M138 VanDerWaalsContact O-N 3.14Å; R136-Y140 HydrophobicContact CB-CE2 4.22Å; R136-I164 VanDerWaalsContact NH2-CD1 3.34Å |
| 137 | D | 86.4 | Confident | 92.2 | Very high | 154 Ų | 154 | 54.7 Ų | 54.7 | 82% | 0.824 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -52.4 | -31.7 | 172.4 | -29.1 | -39.2 | 0 | 0 | 0 | 112.7 | ||
| 138 | M | 86.5 | Confident | 92.3 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 50% | 0.498 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -136.8 | 171.1 | 172.6 | -59.1 | -175.1 | 81 | 0 | 0 | 110.5 | R136 Y140 F158 | R136-M138 PolarHBondContact N-O 3.22Å; R136-M138 VanDerWaalsContact N-O 3.12Å; R136-M138 PolarHBondContact O-N 2.89Å; R136-M138 VanDerWaalsContact O-N 3.14Å; M138-Y140 HydrophobicContact CB-CE1 4.34Å; M138-Y140 HydrophobicContact CB-CE2 4.44Å; M138-F158 HydrophobicContact CE-CE2 4.1Å; M138-F158 HydrophobicContact CE-CZ 4.4Å |
| 139 | L | 89.1 | Confident | 92.3 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 113.8 | 170.5 | -70 | 176.8 | 0 | 0 | 0 | 110.8 | Q135 V199 | Q135-L139 HydrophobicContact CB-CD2 3.8Å; Q135-L139 HydrophobicContact CG-CD2 3.98Å; L139-V199 HydrophobicContact CD2-CG2 3.66Å |
| 140 | Y | 93.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 101.4 | 178.2 | -62.8 | -65 | 0 | 0 | 0 | 109.9 | A133 L134 R136 M138 F153 I162 | A133-Y140 CarbonylContact C-O 3.59Å; A133-Y140 WeakPolarHBondContact CA-O 3.48Å; L134-Y140 PolarHBondContact N-O 3.15Å; L134-Y140 PolarHBondContact O-N 2.96Å; R136-Y140 HydrophobicContact CB-CE2 4.22Å; M138-Y140 HydrophobicContact CB-CE1 4.34Å; M138-Y140 HydrophobicContact CB-CE2 4.44Å; Y140-F153 WeakPolarHBondContact O-CZ 3.31Å; Y140-I162 HydrophobicContact CD1-CD1 3.47Å; Y140-I162 VanDerWaalsContact CD1-CD1 3.47Å; Y140-I162 HydrophobicContact CD2-CD1 3.74Å; Y140-I162 HydrophobicContact CE1-CD1 3.59Å; Y140-I162 HydrophobicContact CE2-CD1 3.82Å; Y140-I162 HydrophobicContact CG-CD1 3.55Å |
| 141 | Q | 93.5 | Very high | 92.4 | Very high | 137 Ų | 137 | 53.7 Ų | 53.7 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 130.7 | 179.5 | -175.3 | 178.6 | -2.8 | 0 | 0 | 111.5 | S155 V157 | Q141-S155 WeakPolarHBondContact O-CB 3.17Å; Q141-S155 PolarHBondContact O-OG 3.19Å; Q141-S155 VanDerWaalsContact O-OG 3.04Å; Q141-V157 HydrophobicContact CB-CG2 4.28Å; Q141-V157 VanDerWaalsContact O-CG2 3.23Å; Q141-V157 WeakPolarHBondContact O-CG2 3.48Å |
| 142 | G | 94.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | -153.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C132 H154 | C132-G142 PolarHBondContact N-O 3.36Å; C132-G142 CarbonylContact O-C 3.53Å; C132-G142 PolarHBondContact O-N 3.01Å; G142-H154 CarbonylContact C-O 3.47Å; G142-H154 VanDerWaalsContact CA-O 3.26Å; G142-H154 WeakPolarHBondContact CA-O 3.44Å |
| 143 | K | 94.3 | Very high | 92.5 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.8 | 175.4 | -69.1 | -176.6 | 178.7 | -179.1 | 0 | 110.2 | Y130 F145 F153 H154 | Y130-K143 WeakPolarHBondContact O-CA 3.33Å; K143-F145 HydrophobicContact CB-CD2 4.34Å; K143-F145 HydrophobicContact CB-CE2 3.63Å; K143-F145 HydrophobicContact CB-CZ 3.86Å; K143-F145 HydrophobicContact CD-CZ 4.4Å; K143-F145 WeakPolarHBondContact O-CD2 3.43Å; K143-F145 WeakPolarHBondContact O-CE2 3.05Å; K143-F153 WeakPolarHBondContact O-CA 3.39Å; K143-F153 WeakPolarHBondContact O-CD2 3.36Å; K143-H154 PolarHBondContact N-O 2.93Å; K143-H154 PolarHBondContact O-N 2.84Å |
| 144 | M | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 138.8 | 165.2 | -174.8 | 176 | 75 | 0 | 0 | 108.8 | S129 Y130 C132 V146 I151 C152 F153 I189 F201 T207 L211 | S129-M144 CarbonylContact C-O 3.53Å; S129-M144 VanDerWaalsContact CA-O 3.32Å; S129-M144 WeakPolarHBondContact CA-O 3.35Å; Y130-M144 HydrophobicContact CD2-CE 3.51Å; Y130-M144 HydrophobicContact CE2-CE 4.14Å; Y130-M144 HydrophobicContact CG-CE 4.23Å; Y130-M144 PolarHBondContact N-O 3.36Å; Y130-M144 PolarHBondContact O-N 3.11Å; C132-M144 VanDerWaalsContact SG-CB 3.59Å; M144-V146 HydrophobicContact CE-CG2 3.93Å; M144-V146 HydrophobicContact CG-CG2 4.18Å; M144-V146 HydrophobicContact SD-CG2 4.48Å; M144-I151 HydrophobicContact CG-CG2 4.07Å; M144-I151 HydrophobicContact SD-CG2 3.83Å; M144-C152 CarbonylContact C-O 3.6Å; M144-C152 VanDerWaalsContact CA-O 3.32Å; M144-C152 WeakPolarHBondContact CA-O 3.49Å; M144-C152 WeakPolarHBondContact CG-O 3.32Å; M144-F153 HydrophobicContact CB-CD2 4.26Å; M144-I189 HydrophobicContact SD-CD1 4.43Å; M144-F201 HydrophobicContact CE-CE1 3.76Å; M144-F201 HydrophobicContact CE-CZ 4.15Å; M144-F201 HydrophobicContact SD-CE1 4.44Å; M144-F201 HydrophobicContact SD-CZ 4.38Å; M144-T207 HydrophobicContact CE-CG2 3.63Å; M144-L211 HydrophobicContact CE-CD1 4.05Å; M144-L211 HydrophobicContact CE-CD2 4.18Å; M144-L211 HydrophobicContact CE-CG 4.43Å |
| 145 | F | 94.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.5 | -178.7 | -65.6 | -88.6 | 0 | 0 | 0 | 107.4 | Y113 L116 F117 L126 K143 C152 H154 | Y113-F145 HydrophobicContact CD2-CB 3.54Å; Y113-F145 HydrophobicContact CD2-CD1 4.07Å; Y113-F145 AromaticContact CD2-CG 3.85Å; Y113-F145 HydrophobicContact CD2-CG 3.85Å; Y113-F145 HydrophobicContact CE2-CB 3.54Å; Y113-F145 HydrophobicContact CE2-CG 4.32Å; L116-F145 HydrophobicContact CD1-CE2 4.06Å; L116-F145 HydrophobicContact CD1-CZ 4.11Å; F117-F145 AromaticContact CE2-CD2 3.75Å; F117-F145 HydrophobicContact CE2-CD2 3.75Å; F117-F145 HydrophobicContact CE2-CE2 4.24Å; F117-F145 HydrophobicContact CE2-CG 4.31Å; F117-F145 HydrophobicContact CZ-CD2 4.2Å; L126-F145 HydrophobicContact CD1-CB 3.71Å; L126-F145 HydrophobicContact CD1-CD1 3.95Å; L126-F145 HydrophobicContact CD1-CG 4.35Å; L126-F145 HydrophobicContact CD2-CD1 3.92Å; K143-F145 HydrophobicContact CB-CD2 4.34Å; K143-F145 HydrophobicContact CB-CE2 3.63Å; K143-F145 HydrophobicContact CB-CZ 3.86Å; K143-F145 HydrophobicContact CD-CZ 4.4Å; K143-F145 WeakPolarHBondContact O-CD2 3.43Å; K143-F145 WeakPolarHBondContact O-CE2 3.05Å; F145-C152 PolarHBondContact N-O 3.22Å; F145-C152 PolarHBondContact O-N 3.12Å; F145-H154 HydrophobicContact CE2-CB 4.39Å |
| 146 | V | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.4 | -174.2 | -172 | 0 | 0 | 0 | 0 | 109 | K127 Q128 Y130 M144 I151 F210 L211 I214 | K127-V146 WeakPolarHBondContact CA-O 3.39Å; K127-V146 WeakPolarHBondContact CB-O 3.39Å; K127-V146 PolarHBondContact N-O 3.4Å; Q128-V146 PolarHBondContact N-O 3.13Å; Q128-V146 PolarHBondContact O-N 3.1Å; Y130-V146 HydrophobicContact CD2-CG2 4.28Å; Y130-V146 HydrophobicContact CE2-CG2 4.23Å; M144-V146 HydrophobicContact CE-CG2 3.93Å; M144-V146 HydrophobicContact CG-CG2 4.18Å; M144-V146 HydrophobicContact SD-CG2 4.48Å; V146-I151 HydrophobicContact CG1-CG1 4.29Å; V146-F210 HydrophobicContact CB-CE1 4.03Å; V146-F210 HydrophobicContact CG1-CD1 4.47Å; V146-F210 HydrophobicContact CG1-CE1 3.87Å; V146-L211 HydrophobicContact CG1-CD2 4.06Å; V146-L211 HydrophobicContact CG2-CD2 3.83Å; V146-I214 HydrophobicContact CG1-CD1 3.59Å |
| 147 | S | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -105.2 | -167.7 | 175.1 | -65 | 0 | 0 | 0 | 0 | 109.9 | Y113 E124 W150 | Y113-S147 WeakPolarHBondContact CE1-OG 3.43Å; Y113-S147 VanDerWaalsContact CZ-OG 3.25Å; Y113-S147 PolarHBondContact OH-OG 3.21Å; Y113-S147 VanDerWaalsContact OH-OG 3.09Å; E124-S147 VanDerWaalsContact OE2-CB 3.31Å; E124-S147 WeakPolarHBondContact OE2-CB 3.4Å; S147-W150 PolarHBondContact N-O 3.34Å | ||
| 148 | Q | 90.8 | Very high | 92.3 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -72.6 | -38.6 | -178 | -168.3 | 62.3 | 54.8 | 0 | 0 | 112.3 | E124 K127 | E124-Q148 PolarHBondContact OE2-N 2.99Å; K127-Q148 VanDerWaalsContact CE-OE1 3.22Å |
| 149 | N | 91.5 | Very high | 92.1 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -120.7 | 0.8 | -175.5 | -37.1 | -55 | 0 | 0 | 0 | 113.4 | E124 V168 | E124-N149 WeakPolarHBondContact OE1-CB 3.3Å; E124-N149 PolarHBondContact OE1-ND2 2.98Å; E124-N149 PolarHBondContact OE2-N 3.18Å; N149-V168 WeakPolarHBondContact O-CB 3.45Å; N149-V168 WeakPolarHBondContact O-CG2 3.48Å; N149-V168 PolarHBondContact O-N 3.41Å |
| 150 | W | 93.5 | Very high | 91.9 | Very high | 60 Ų | 60 | 52 Ų | 52 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.4 | 179 | -62.3 | 78 | 0 | 0 | 0 | 113.8 | V120 E124 S147 I166 P167 | V120-W150 HydrophobicContact CG1-CG 4.28Å; V120-W150 HydrophobicContact CG2-CB 4.39Å; V120-W150 HydrophobicContact CG2-CD2 4.05Å; V120-W150 HydrophobicContact CG2-CE3 4.43Å; V120-W150 HydrophobicContact CG2-CG 4.03Å; E124-W150 PolarHBondContact OE1-NE1 3.14Å; S147-W150 PolarHBondContact N-O 3.34Å; W150-I166 WeakPolarHBondContact CA-O 3.4Å; W150-P167 HydrophobicContact CE3-CG 4.08Å; W150-P167 HydrophobicContact CH2-CG 3.88Å; W150-P167 HydrophobicContact CZ2-CG 4.49Å; W150-P167 HydrophobicContact CZ3-CG 3.64Å |
| 151 | I | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108.3 | 165.8 | -61.2 | 158.3 | 0 | 0 | 0 | 106.8 | M144 V146 I166 V168 V171 I189 L211 | M144-I151 HydrophobicContact CG-CG2 4.07Å; M144-I151 HydrophobicContact SD-CG2 3.83Å; V146-I151 HydrophobicContact CG1-CG1 4.29Å; I151-I166 HydrophobicContact CB-CB 4.45Å; I151-I166 HydrophobicContact CG2-CD1 4.5Å; I151-I166 PolarHBondContact N-O 2.86Å; I151-I166 WeakPolarHBondContact O-CB 3.49Å; I151-I166 PolarHBondContact O-N 3.23Å; I151-V168 HydrophobicContact CD1-CG2 4.32Å; I151-V168 HydrophobicContact CG1-CG2 4.18Å; I151-V171 HydrophobicContact CD1-CG2 4.05Å; I151-I189 HydrophobicContact CD1-CD1 4.41Å; I151-I189 HydrophobicContact CG2-CD1 4.03Å; I151-L211 HydrophobicContact CD1-CD2 3.86Å; I151-L211 HydrophobicContact CG1-CD2 3.95Å; I151-L211 HydrophobicContact CG2-CD2 4.45Å |
| 152 | C | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 153 | -178.9 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | Y113 F117 M144 F145 I164 | Y113-C152 HydrophobicContact CE2-CB 3.98Å; Y113-C152 PolarHBondContact OH-SG 2.78Å; Y113-C152 VanDerWaalsContact OH-SG 3.37Å; F117-C152 HydrophobicContact CD1-CB 3.9Å; F117-C152 HydrophobicContact CD2-CB 4.02Å; F117-C152 HydrophobicContact CE1-CB 3.66Å; F117-C152 HydrophobicContact CE2-CB 3.78Å; F117-C152 HydrophobicContact CG-CB 4.07Å; F117-C152 HydrophobicContact CZ-CB 3.58Å; M144-C152 CarbonylContact C-O 3.6Å; M144-C152 VanDerWaalsContact CA-O 3.32Å; M144-C152 WeakPolarHBondContact CA-O 3.49Å; M144-C152 WeakPolarHBondContact CG-O 3.32Å; F145-C152 PolarHBondContact N-O 3.22Å; F145-C152 PolarHBondContact O-N 3.12Å; C152-I164 CarbonylContact C-O 3.42Å; C152-I164 WeakPolarHBondContact CA-O 3.46Å; C152-I164 WeakPolarHBondContact CB-O 3.49Å |
| 153 | F | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.7 | 175.7 | 175.1 | -94.5 | 0 | 0 | 0 | 110.5 | F117 L134 Y140 K143 M144 K163 I164 F198 | F117-F153 WeakPolarHBondContact CE1-O 3.49Å; L134-F153 HydrophobicContact CB-CD1 4.16Å; L134-F153 HydrophobicContact CB-CE1 3.6Å; L134-F153 HydrophobicContact CB-CZ 3.83Å; L134-F153 HydrophobicContact CD2-CD1 4.41Å; L134-F153 HydrophobicContact CD2-CE1 4.29Å; Y140-F153 WeakPolarHBondContact O-CZ 3.31Å; K143-F153 WeakPolarHBondContact O-CA 3.39Å; K143-F153 WeakPolarHBondContact O-CD2 3.36Å; M144-F153 HydrophobicContact CB-CD2 4.26Å; F153-K163 CarbonylContact O-C 3.42Å; F153-K163 WeakPolarHBondContact O-CA 3.43Å; F153-I164 HydrophobicContact CB-CB 4.33Å; F153-I164 PolarHBondContact N-O 3.34Å; F153-I164 PolarHBondContact O-N 3.27Å; F153-F198 HydrophobicContact CB-CE1 3.83Å; F153-F198 HydrophobicContact CB-CZ 4.28Å; F153-F198 HydrophobicContact CD1-CE1 4.31Å; F153-F198 HydrophobicContact CD2-CD1 4.19Å; F153-F198 AromaticContact CD2-CE1 3.79Å; F153-F198 HydrophobicContact CD2-CE1 3.79Å; F153-F198 HydrophobicContact CE2-CE1 4.45Å; F153-F198 AromaticContact CG-CE1 3.71Å; F153-F198 HydrophobicContact CG-CE1 3.71Å |
| 154 | H | 94.9 | Very high | 91.7 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.8 | 176.2 | 162.7 | -116.7 | 0 | 0 | 0 | 110.5 | L116 F117 G142 K143 F145 D161 I162 K163 | L116-H154 HydrophobicContact CD1-CB 4.21Å; F117-H154 HydrophobicContact CE1-CB 4.33Å; F117-H154 HydrophobicContact CE2-CB 4.3Å; F117-H154 HydrophobicContact CZ-CB 3.6Å; G142-H154 CarbonylContact C-O 3.47Å; G142-H154 VanDerWaalsContact CA-O 3.26Å; G142-H154 WeakPolarHBondContact CA-O 3.44Å; K143-H154 PolarHBondContact N-O 2.93Å; K143-H154 PolarHBondContact O-N 2.84Å; F145-H154 HydrophobicContact CE2-CB 4.39Å; H154-D161 IonicContact CD2-OD1 3.19Å; H154-D161 PolarHBondContact CD2-OD1 2.9Å; H154-D161 IonicContact NE2-OD1 3.81Å; H154-I162 WeakPolarHBondContact CA-O 3.18Å; H154-K163 HydrophobicContact CB-CG 4.36Å |
| 155 | S | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.4 | 176.8 | 161.3 | 0 | 0 | 0 | 0 | 109.5 | Q141 V157 I162 | Q141-S155 WeakPolarHBondContact O-CB 3.17Å; Q141-S155 PolarHBondContact O-OG 3.19Å; Q141-S155 VanDerWaalsContact O-OG 3.04Å; S155-V157 WeakPolarHBondContact OG-CG2 3.35Å; S155-I162 PolarHBondContact N-O 3.29Å; S155-I162 PolarHBondContact O-N 3.29Å |
| 156 | K | 91.5 | Very high | 91.6 | Very high | 160 Ų | 160 | 51.3 Ų | 51.3 | 70% | 0.696 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 88.5 | 172.9 | -172.4 | -179.4 | 178.8 | -178.6 | 0 | 109.3 | K160 | K156-K160 WeakPolarHBondContact CA-O 3.49Å |
| 157 | V | 87.2 | Confident | 91.5 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.9 | -173.2 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | Q141 S155 G159 K160 | Q141-V157 HydrophobicContact CB-CG2 4.28Å; Q141-V157 VanDerWaalsContact O-CG2 3.23Å; Q141-V157 WeakPolarHBondContact O-CG2 3.48Å; S155-V157 WeakPolarHBondContact OG-CG2 3.35Å; V157-G159 PolarHBondContact O-N 3.42Å; V157-K160 PolarHBondContact N-O 2.85Å; V157-K160 PolarHBondContact O-N 2.94Å; V157-K160 VanDerWaalsContact O-N 3.09Å |
| 158 | F | 80.6 | Confident | 91.5 | Very high | 147 Ų | 147 | 53.6 Ų | 53.6 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.8 | -174.5 | -52.5 | -66.4 | 0 | 0 | 0 | 113.5 | M138 K160 | M138-F158 HydrophobicContact CE-CE2 4.1Å; M138-F158 HydrophobicContact CE-CZ 4.4Å; F158-K160 PolarHBondContact O-N 2.87Å |
| 159 | G | 82.1 | Confident | 91.6 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 75% | 0.753 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -15.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V157 | V157-G159 PolarHBondContact O-N 3.42Š|
| 160 | K | 86.1 | Confident | 91.7 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128 | -179.7 | -63.5 | -179.6 | 179.6 | -179.3 | 0 | 110.7 | K156 V157 F158 I162 | K156-K160 WeakPolarHBondContact CA-O 3.49Å; V157-K160 PolarHBondContact N-O 2.85Å; V157-K160 PolarHBondContact O-N 2.94Å; V157-K160 VanDerWaalsContact O-N 3.09Å; F158-K160 PolarHBondContact O-N 2.87Å; K160-I162 HydrophobicContact CB-CG1 4.47Å |
| 161 | D | 91.2 | Very high | 91.7 | Very high | 86 Ų | 86 | 50 Ų | 50 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.1 | 169.5 | 178.7 | 7.3 | 0 | 0 | 0 | 108.5 | H154 K163 | H154-D161 IonicContact CD2-OD1 3.19Å; H154-D161 PolarHBondContact CD2-OD1 2.9Å; H154-D161 IonicContact NE2-OD1 3.81Å; D161-K163 WeakPolarHBondContact OD1-CE 3.34Å; D161-K163 IonicContact OD1-NZ 2.79Å; D161-K163 PolarHBondContact OD1-NZ 3.09Å; D161-K163 IonicContact OD2-NZ 2.88Å; D161-K163 PolarHBondContact OD2-NZ 3.33Å |
| 162 | I | 92 | Very high | 91.7 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.5 | -178.9 | -64.3 | 174.8 | 0 | 0 | 0 | 108.1 | L134 Y140 H154 S155 K160 | L134-I162 HydrophobicContact CD2-CG2 4.46Å; Y140-I162 HydrophobicContact CD1-CD1 3.47Å; Y140-I162 VanDerWaalsContact CD1-CD1 3.47Å; Y140-I162 HydrophobicContact CD2-CD1 3.74Å; Y140-I162 HydrophobicContact CE1-CD1 3.59Å; Y140-I162 HydrophobicContact CE2-CD1 3.82Å; Y140-I162 HydrophobicContact CG-CD1 3.55Å; H154-I162 WeakPolarHBondContact CA-O 3.18Å; S155-I162 PolarHBondContact N-O 3.29Å; S155-I162 PolarHBondContact O-N 3.29Å; K160-I162 HydrophobicContact CB-CG1 4.47Å |
| 163 | K | 94 | Very high | 91.5 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.9 | 175.5 | -74.7 | 158.7 | -179.9 | 149.4 | 0 | 110 | F117 F153 H154 D161 | F117-K163 HydrophobicContact CE1-CB 4.12Å; F117-K163 HydrophobicContact CE1-CG 4.08Å; F153-K163 CarbonylContact O-C 3.42Å; F153-K163 WeakPolarHBondContact O-CA 3.43Å; H154-K163 HydrophobicContact CB-CG 4.36Å; D161-K163 WeakPolarHBondContact OD1-CE 3.34Å; D161-K163 IonicContact OD1-NZ 2.79Å; D161-K163 PolarHBondContact OD1-NZ 3.09Å; D161-K163 IonicContact OD2-NZ 2.88Å; D161-K163 PolarHBondContact OD2-NZ 3.33Å |
| 164 | I | 92.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.1 | 174.9 | -63.8 | 175.4 | 0 | 0 | 0 | 106.9 | L134 R136 C152 F153 I166 | L134-I164 HydrophobicContact CD1-CD1 4.12Å; L134-I164 HydrophobicContact CD2-CD1 3.47Å; L134-I164 VanDerWaalsContact CD2-CD1 3.47Å; L134-I164 HydrophobicContact CG-CD1 4.43Å; R136-I164 VanDerWaalsContact NH2-CD1 3.34Å; C152-I164 CarbonylContact C-O 3.42Å; C152-I164 WeakPolarHBondContact CA-O 3.46Å; C152-I164 WeakPolarHBondContact CB-O 3.49Å; F153-I164 HydrophobicContact CB-CB 4.33Å; F153-I164 PolarHBondContact N-O 3.34Å; F153-I164 PolarHBondContact O-N 3.27Å; I164-I166 HydrophobicContact CG2-CD1 3.74Å; I164-I166 HydrophobicContact CG2-CG1 3.69Å |
| 165 | S | 94 | Very high | 91.3 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 106.4 | 172.9 | -62.9 | 0 | 0 | 0 | 0 | 108.1 | F117 | F117-S165 WeakPolarHBondContact CD1-OG 3.34Å |
| 166 | I | 93.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.6 | -179.4 | -59.1 | 143.3 | 0 | 0 | 0 | 107.8 | W150 I151 I164 V168 V171 T191 F198 | W150-I166 WeakPolarHBondContact CA-O 3.4Å; I151-I166 HydrophobicContact CB-CB 4.45Å; I151-I166 HydrophobicContact CG2-CD1 4.5Å; I151-I166 PolarHBondContact N-O 2.86Å; I151-I166 WeakPolarHBondContact O-CB 3.49Å; I151-I166 PolarHBondContact O-N 3.23Å; I164-I166 HydrophobicContact CG2-CD1 3.74Å; I164-I166 HydrophobicContact CG2-CG1 3.69Å; I166-V168 PolarHBondContact O-N 3.26Å; I166-V171 HydrophobicContact CG2-CG2 3.85Å; I166-T191 HydrophobicContact CG2-CG2 4Å; I166-F198 HydrophobicContact CD1-CZ 4.47Å |
| 167 | P | 93.4 | Very high | 90.9 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 133.5 | 166.8 | -21 | 30.8 | 0 | 0 | 0 | 110.3 | W150 M169 S170 | W150-P167 HydrophobicContact CE3-CG 4.08Å; W150-P167 HydrophobicContact CH2-CG 3.88Å; W150-P167 HydrophobicContact CZ2-CG 4.49Å; W150-P167 HydrophobicContact CZ3-CG 3.64Å; P167-M169 PolarHBondContact O-N 2.9Å; P167-S170 WeakPolarHBondContact CD-OG 3.27Å; P167-S170 PolarHBondContact O-N 3.04Å; P167-S170 PolarHBondContact O-OG 3.15Å |
| 168 | V | 93.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -55.3 | -39.5 | 176.7 | 161.6 | 0 | 0 | 0 | 0 | 110.9 | N149 I151 I166 S170 V171 I214 C215 H217 | N149-V168 WeakPolarHBondContact O-CB 3.45Å; N149-V168 WeakPolarHBondContact O-CG2 3.48Å; N149-V168 PolarHBondContact O-N 3.41Å; I151-V168 HydrophobicContact CD1-CG2 4.32Å; I151-V168 HydrophobicContact CG1-CG2 4.18Å; I166-V168 PolarHBondContact O-N 3.26Å; V168-S170 PolarHBondContact O-N 3.31Å; V168-V171 WeakPolarHBondContact O-CB 3.43Å; V168-V171 PolarHBondContact O-N 3.43Å; V168-V171 VanDerWaalsContact O-N 3.15Å; V168-I214 HydrophobicContact CG1-CG2 4.32Å; V168-I214 VanDerWaalsContact CG1-O 3.26Å; V168-I214 WeakPolarHBondContact CG1-O 3.36Å; V168-I214 HydrophobicContact CG2-CG2 3.77Å; V168-C215 HydrophobicContact CG1-CB 4.3Å; V168-H217 PolarHBondContact O-CE1 3.46Å; V168-H217 PolarHBondContact O-NE2 3.23Å |
| 169 | M | 91.7 | Very high | 89.9 | Confident | 134 Ų | 134 | 64.8 Ų | 64.8 | 66% | 0.66 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.1 | -19.9 | 177.2 | -57.6 | -70.1 | 89.7 | 0 | 0 | 114.3 | P167 | P167-M169 PolarHBondContact O-N 2.9Š|
| 170 | S | 93.4 | Very high | 88.4 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -91.4 | -5.4 | 176.4 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | P167 V168 K172 T191 T192 | P167-S170 WeakPolarHBondContact CD-OG 3.27Å; P167-S170 PolarHBondContact O-N 3.04Å; P167-S170 PolarHBondContact O-OG 3.15Å; V168-S170 PolarHBondContact O-N 3.31Å; S170-K172 PolarHBondContact O-N 3.07Å; S170-T191 CarbonylContact O-C 3.6Å; S170-T191 VanDerWaalsContact O-C 3.28Å; S170-T191 VanDerWaalsContact O-CA 3.3Å; S170-T191 WeakPolarHBondContact O-CA 3.43Å; S170-T191 WeakPolarHBondContact OG-CG2 3.47Å; S170-T192 PolarHBondContact O-N 2.72Å |
| 171 | V | 94.8 | Very high | 87 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.5 | 173.3 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | I151 I166 V168 I174 I189 G190 H217 L218 | I151-V171 HydrophobicContact CD1-CG2 4.05Å; I166-V171 HydrophobicContact CG2-CG2 3.85Å; V168-V171 WeakPolarHBondContact O-CB 3.43Å; V168-V171 PolarHBondContact O-N 3.43Å; V168-V171 VanDerWaalsContact O-N 3.15Å; V171-I174 HydrophobicContact CG1-CD1 4.24Å; V171-I174 HydrophobicContact CG1-CG1 3.79Å; V171-I189 HydrophobicContact CB-CG2 4.47Å; V171-I189 HydrophobicContact CG1-CG2 3.78Å; V171-I189 HydrophobicContact CG2-CG2 3.87Å; V171-G190 CarbonylContact C-O 3.28Å; V171-G190 WeakPolarHBondContact CA-O 3.32Å; V171-H217 PolarHBondContact O-CD2 3.25Å; V171-H217 PolarHBondContact O-NE2 2.99Å; V171-L218 HydrophobicContact CG1-CD1 3.87Å; V171-L218 HydrophobicContact CG1-CD2 4.36Å; V171-L218 WeakPolarHBondContact O-CD2 3.45Å |
| 172 | K | 93.5 | Very high | 85.3 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | -27.3 | 173.6 | -72.1 | 177.2 | 173.6 | 161.2 | 0 | 113.2 | S170 G190 T192 L218 | S170-K172 PolarHBondContact O-N 3.07Å; K172-G190 PolarHBondContact N-O 3.45Å; K172-T192 PolarHBondContact NZ-O 2.91Å; K172-L218 VanDerWaalsContact O-CD2 3.28Å; K172-L218 WeakPolarHBondContact O-CD2 3.29Å |
| 173 | L | 91.9 | Very high | 83.7 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 143.5 | -175.4 | -178.1 | 61.8 | 0 | 0 | 0 | 112 | K175 I189 G190 | L173-K175 HydrophobicContact CD2-CB 4.41Å; L173-K175 HydrophobicContact CG-CB 4.4Å; L173-I189 CarbonylContact O-C 3.55Å; L173-G190 PolarHBondContact N-O 3.39Å; L173-G190 PolarHBondContact O-N 2.94Å |
| 174 | I | 94.1 | Very high | 82.4 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.051 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.3 | 164.6 | -60.9 | 175.5 | 0 | 0 | 0 | 108.3 | V171 L187 V188 F208 L211 C215 L218 | V171-I174 HydrophobicContact CG1-CD1 4.24Å; V171-I174 HydrophobicContact CG1-CG1 3.79Å; I174-L187 HydrophobicContact CG2-CD1 4.36Å; I174-L187 HydrophobicContact CG2-CD2 4.09Å; I174-L187 HydrophobicContact CG2-CG 4.29Å; I174-V188 WeakPolarHBondContact CA-O 3.49Å; I174-F208 HydrophobicContact CG2-CD2 3.73Å; I174-F208 HydrophobicContact CG2-CE2 3.81Å; I174-F208 WeakPolarHBondContact O-CE2 3.38Å; I174-L211 HydrophobicContact CD1-CB 3.84Å; I174-C215 HydrophobicContact CD1-CB 4.42Å; I174-L218 HydrophobicContact CB-CD1 4.29Å; I174-L218 HydrophobicContact CD1-CD1 3.54Å; I174-L218 HydrophobicContact CG1-CD1 3.59Å |
| 175 | K | 91.8 | Very high | 82 | Confident | 122 Ų | 122 | 73.3 Ų | 73.3 | 53% | 0.53 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.9 | -174.6 | -174.2 | 174.3 | 179.6 | 178.4 | 0 | 111.2 | L173 L187 V188 | L173-K175 HydrophobicContact CD2-CB 4.41Å; L173-K175 HydrophobicContact CG-CB 4.4Å; K175-L187 WeakPolarHBondContact O-CA 3.21Å; K175-V188 HydrophobicContact CB-CB 4.44Å; K175-V188 PolarHBondContact N-O 3.35Å; K175-V188 PolarHBondContact O-N 2.8Å |
| 176 | K | 91.7 | Very high | 81.7 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.6 | 167.2 | -60.5 | 177.7 | -170.1 | 168.8 | 0 | 108.5 | F208 | K176-F208 HydrophobicContact CD-CD1 4.43Å; K176-F208 HydrophobicContact CD-CD2 4.24Å; K176-F208 HydrophobicContact CD-CE2 4.46Å; K176-F208 HydrophobicContact CD-CG 4.21Å; K176-F208 HydrophobicContact CG-CB 4.42Å; K176-F208 HydrophobicContact CG-CD1 4.5Å; K176-F208 HydrophobicContact CG-CD2 3.46Å; K176-F208 VanDerWaalsContact CG-CD2 3.46Å; K176-F208 HydrophobicContact CG-CE2 3.7Å; K176-F208 HydrophobicContact CG-CG 3.89Å; K176-F208 HydrophobicContact CG-CZ 4.3Å |
| 177 | T | 85.4 | Confident | 81.7 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.8 | 178.7 | -62 | 0 | 0 | 0 | 0 | 109.4 | A186 V188 | T177-A186 PolarHBondContact N-O 3.48Å; T177-A186 VanDerWaalsContact N-O 3.07Å; T177-A186 WeakPolarHBondContact O-CB 3.27Å; T177-A186 PolarHBondContact O-N 2.86Å; T177-V188 WeakPolarHBondContact OG1-CG2 3.4Å |
| 178 | K | 79.4 | Confident | 81.7 | Confident | 160 Ų | 160 | 69.5 Ų | 69.5 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.1 | 162.3 | -64.9 | 179.4 | 179.2 | -180 | 0 | 105.9 | A180 P184 | K178-A180 PolarHBondContact O-N 3.18Å; K178-P184 HydrophobicContact CG-CB 4.37Å |
| 179 | T | 67.4 | Low | 81.8 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.9 | 179 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | L181 L182 V183 | T179-L181 PolarHBondContact O-N 3.07Å; T179-L182 PolarHBondContact O-N 3.03Å; T179-V183 PolarHBondContact N-O 2.65Å; T179-V183 PolarHBondContact O-N 3.28Å |
| 180 | A | 51.8 | Low | 81.9 | Confident | 100 Ų | 100 | 63.1 Ų | 63.1 | 83% | 0.826 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -9.7 | -146.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | K178 | K178-A180 PolarHBondContact O-N 3.18Š|
| 181 | L | 55.1 | Low | 82 | Confident | 168 Ų | 168 | 62.8 Ų | 62.8 | 88% | 0.88 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -20.5 | -174.7 | -117.1 | 71 | 0 | 0 | 0 | 116.1 | T179 | T179-L181 PolarHBondContact O-N 3.07Š|
| 182 | L | 55.6 | Low | 81.8 | Confident | 160 Ų | 160 | 65.6 Ų | 65.6 | 84% | 0.838 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.1 | -24.3 | -176 | -147.9 | 68.4 | 0 | 0 | 0 | 116.8 | T179 P184 | T179-L182 PolarHBondContact O-N 3.03Å; L182-P184 VanDerWaalsContact O-CD 3.31Å; L182-P184 WeakPolarHBondContact O-CD 3.28Å |
| 183 | V | 59.2 | Low | 81.6 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 95.2 | -168.9 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | T179 N185 V199 | T179-V183 PolarHBondContact N-O 2.65Å; T179-V183 PolarHBondContact O-N 3.28Å; V183-N185 PolarHBondContact O-N 2.87Å; V183-V199 HydrophobicContact CG1-CB 4.1Å |
| 184 | P | 66.3 | Low | 81.6 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -16.3 | 174.5 | 30.1 | -35.3 | 0 | 0 | 0 | 112.9 | K178 L182 A186 R204 | K178-P184 HydrophobicContact CG-CB 4.37Å; L182-P184 VanDerWaalsContact O-CD 3.31Å; L182-P184 WeakPolarHBondContact O-CD 3.28Å; P184-A186 VanDerWaalsContact C-N 3.31Å; P184-A186 PolarHBondContact O-N 3.35Å; P184-R204 PolarHBondContact O-NH1 3.01Å |
| 185 | N | 83.9 | Confident | 81.5 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 34% | 0.342 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 44.4 | -174.5 | -72.2 | -18.1 | 0 | 0 | 0 | 113.4 | V183 V199 S200 F201 | V183-N185 PolarHBondContact O-N 2.87Å; N185-V199 CarbonylContact O-C 3.55Å; N185-S200 PolarHBondContact O-N 3.36Å; N185-F201 WeakPolarHBondContact CB-O 3.38Å; N185-F201 PolarHBondContact ND2-O 2.91Å; N185-F201 PolarHBondContact O-N 3.48Å |
| 186 | A | 89.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 146.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | T177 P184 F198 V199 R204 | T177-A186 PolarHBondContact N-O 3.48Å; T177-A186 VanDerWaalsContact N-O 3.07Å; T177-A186 WeakPolarHBondContact O-CB 3.27Å; T177-A186 PolarHBondContact O-N 2.86Å; P184-A186 VanDerWaalsContact C-N 3.31Å; P184-A186 PolarHBondContact O-N 3.35Å; A186-F198 CarbonylContact C-O 3.52Å; A186-F198 WeakPolarHBondContact CA-O 3.4Å; A186-V199 HydrophobicContact CB-CG1 3.91Å; A186-R204 WeakPolarHBondContact O-CD 3.49Å |
| 187 | L | 93.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 129.2 | 177.5 | -178.5 | 153.3 | 0 | 0 | 0 | 108.1 | I174 K175 I189 F198 F201 R204 F208 L211 | I174-L187 HydrophobicContact CG2-CD1 4.36Å; I174-L187 HydrophobicContact CG2-CD2 4.09Å; I174-L187 HydrophobicContact CG2-CG 4.29Å; K175-L187 WeakPolarHBondContact O-CA 3.21Å; L187-I189 HydrophobicContact CD2-CD1 4.09Å; L187-I189 HydrophobicContact CD2-CG1 3.52Å; L187-F198 PolarHBondContact N-O 2.85Å; L187-F198 PolarHBondContact O-N 2.87Å; L187-F198 VanDerWaalsContact O-O 3.06Å; L187-F201 HydrophobicContact CB-CD2 4.18Å; L187-F201 HydrophobicContact CB-CE2 3.76Å; L187-R204 HydrophobicContact CB-CG 4.44Å; L187-F208 HydrophobicContact CD1-CB 3.85Å; L187-F208 HydrophobicContact CD1-CD2 4.03Å; L187-F208 HydrophobicContact CD1-CG 4.46Å; L187-L211 HydrophobicContact CD1-CD1 4.07Å; L187-L211 HydrophobicContact CD2-CD1 3.94Å |
| 188 | V | 93.7 | Very high | 82.1 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 9% | 0.085 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.8 | 178.7 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | I174 K175 T177 D195 H196 V197 | I174-V188 WeakPolarHBondContact CA-O 3.49Å; K175-V188 HydrophobicContact CB-CB 4.44Å; K175-V188 PolarHBondContact N-O 3.35Å; K175-V188 PolarHBondContact O-N 2.8Å; T177-V188 WeakPolarHBondContact OG1-CG2 3.4Å; V188-D195 HydrophobicContact CG1-CB 4.16Å; V188-H196 WeakPolarHBondContact CA-O 3.36Å; V188-V197 HydrophobicContact CG1-CG2 4.36Å; V188-V197 HydrophobicContact CG2-CG1 4.41Å; V188-V197 HydrophobicContact CG2-CG2 4.12Å |
| 189 | I | 95.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 103.6 | 170.6 | -56.5 | -177.9 | 0 | 0 | 0 | 106.4 | M144 I151 V171 L173 L187 H196 F198 L211 | M144-I189 HydrophobicContact SD-CD1 4.43Å; I151-I189 HydrophobicContact CD1-CD1 4.41Å; I151-I189 HydrophobicContact CG2-CD1 4.03Å; V171-I189 HydrophobicContact CB-CG2 4.47Å; V171-I189 HydrophobicContact CG1-CG2 3.78Å; V171-I189 HydrophobicContact CG2-CG2 3.87Å; L173-I189 CarbonylContact O-C 3.55Å; L187-I189 HydrophobicContact CD2-CD1 4.09Å; L187-I189 HydrophobicContact CD2-CG1 3.52Å; I189-H196 PolarHBondContact N-O 2.91Å; I189-H196 PolarHBondContact O-N 3.23Å; I189-F198 HydrophobicContact CB-CE2 4.41Å; I189-F198 HydrophobicContact CD1-CD2 4.01Å; I189-F198 HydrophobicContact CD1-CE2 3.87Å; I189-F198 HydrophobicContact CG1-CD2 4.18Å; I189-F198 HydrophobicContact CG1-CE2 4.25Å; I189-L211 HydrophobicContact CD1-CD1 4.11Å |
| 190 | G | 93.6 | Very high | 83.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | V171 K172 L173 D195 | V171-G190 CarbonylContact C-O 3.28Å; V171-G190 WeakPolarHBondContact CA-O 3.32Å; K172-G190 PolarHBondContact N-O 3.45Å; L173-G190 PolarHBondContact N-O 3.39Å; L173-G190 PolarHBondContact O-N 2.94Å; G190-D195 WeakPolarHBondContact CA-OD1 3.41Å |
| 191 | T | 93.9 | Very high | 85.6 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -179.1 | -179.2 | -45.3 | 0 | 0 | 0 | 0 | 109.5 | I166 S170 D193 I194 | I166-T191 HydrophobicContact CG2-CG2 4Å; S170-T191 CarbonylContact O-C 3.6Å; S170-T191 VanDerWaalsContact O-C 3.28Å; S170-T191 VanDerWaalsContact O-CA 3.3Å; S170-T191 WeakPolarHBondContact O-CA 3.43Å; S170-T191 WeakPolarHBondContact OG-CG2 3.47Å; T191-D193 PolarHBondContact O-N 3.37Å; T191-I194 WeakPolarHBondContact CB-O 3.49Å; T191-I194 PolarHBondContact N-O 3.06Å; T191-I194 PolarHBondContact OG1-O 3.44Å |
| 192 | T | 90.9 | Very high | 87.3 | Confident | 61 Ų | 61 | 48 Ų | 48 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -54.7 | -39.2 | 172.1 | 41.1 | 0 | 0 | 0 | 0 | 112.6 | S170 K172 | S170-T192 PolarHBondContact O-N 2.72Å; K172-T192 PolarHBondContact NZ-O 2.91Å |
| 193 | D | 89 | Confident | 88.9 | Confident | 134 Ų | 134 | 43.6 Ų | 43.6 | 72% | 0.717 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -110.4 | -39 | -164 | -28.8 | -43.1 | 0 | 0 | 0 | 112.7 | T191 | T191-D193 PolarHBondContact O-N 3.37Š|
| 194 | I | 92.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 43.8 Ų | 43.8 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | trans | -149.2 | 150.1 | -174.2 | 52.4 | -178.3 | 0 | 0 | 0 | 112.9 | T191 H196 | T191-I194 WeakPolarHBondContact CB-O 3.49Å; T191-I194 PolarHBondContact N-O 3.06Å; T191-I194 PolarHBondContact OG1-O 3.44Å; I194-H196 WeakPolarHBondContact CD1-CE1 3.26Å | ||
| 195 | D | 92.1 | Very high | 91.6 | Very high | 105 Ų | 105 | 44.7 Ų | 44.7 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.1 | 173.1 | -89.1 | 22.6 | 0 | 0 | 0 | 111.4 | V188 G190 | V188-D195 HydrophobicContact CG1-CB 4.16Å; G190-D195 WeakPolarHBondContact CA-OD1 3.41Å |
| 196 | H | 94.3 | Very high | 92 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 109.6 | 176.9 | -69.9 | -36.4 | 0 | 0 | 0 | 111.1 | V188 I189 I194 F198 | V188-H196 WeakPolarHBondContact CA-O 3.36Å; I189-H196 PolarHBondContact N-O 2.91Å; I189-H196 PolarHBondContact O-N 3.23Å; I194-H196 WeakPolarHBondContact CD1-CE1 3.26Å; H196-F198 HydrophobicContact CB-CD2 4.24Å; H196-F198 HydrophobicContact CB-CE2 3.55Å; H196-F198 HydrophobicContact CB-CZ 4.13Å |
| 197 | V | 93.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 113 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | Q135 V188 V199 | Q135-V197 HydrophobicContact CB-CB 4.16Å; Q135-V197 HydrophobicContact CB-CG1 4.15Å; Q135-V197 PolarHBondContact N-O 2.77Å; V188-V197 HydrophobicContact CG1-CG2 4.36Å; V188-V197 HydrophobicContact CG2-CG1 4.41Å; V188-V197 HydrophobicContact CG2-CG2 4.12Å; V197-V199 HydrophobicContact CG1-CG1 4.06Å |
| 198 | F | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.1 | 173.1 | -63.5 | -85.4 | 0 | 0 | 0 | 110.1 | A133 L134 F153 I166 A186 L187 I189 H196 F201 | A133-F198 CarbonylContact O-C 3.58Å; A133-F198 WeakPolarHBondContact O-CA 3.46Å; L134-F198 HydrophobicContact CB-CD1 4.26Å; L134-F198 HydrophobicContact CB-CE1 4.24Å; L134-F198 HydrophobicContact CD1-CD1 3.97Å; L134-F198 HydrophobicContact CD1-CE1 3.62Å; L134-F198 HydrophobicContact CD1-CZ 3.94Å; F153-F198 HydrophobicContact CB-CE1 3.83Å; F153-F198 HydrophobicContact CB-CZ 4.28Å; F153-F198 HydrophobicContact CD1-CE1 4.31Å; F153-F198 HydrophobicContact CD2-CD1 4.19Å; F153-F198 AromaticContact CD2-CE1 3.79Å; F153-F198 HydrophobicContact CD2-CE1 3.79Å; F153-F198 HydrophobicContact CE2-CE1 4.45Å; F153-F198 AromaticContact CG-CE1 3.71Å; F153-F198 HydrophobicContact CG-CE1 3.71Å; I166-F198 HydrophobicContact CD1-CZ 4.47Å; A186-F198 CarbonylContact C-O 3.52Å; A186-F198 WeakPolarHBondContact CA-O 3.4Å; L187-F198 PolarHBondContact N-O 2.85Å; L187-F198 PolarHBondContact O-N 2.87Å; L187-F198 VanDerWaalsContact O-O 3.06Å; I189-F198 HydrophobicContact CB-CE2 4.41Å; I189-F198 HydrophobicContact CD1-CD2 4.01Å; I189-F198 HydrophobicContact CD1-CE2 3.87Å; I189-F198 HydrophobicContact CG1-CD2 4.18Å; I189-F198 HydrophobicContact CG1-CE2 4.25Å; H196-F198 HydrophobicContact CB-CD2 4.24Å; H196-F198 HydrophobicContact CB-CE2 3.55Å; H196-F198 HydrophobicContact CB-CZ 4.13Å; F198-F201 HydrophobicContact CB-CE2 3.42Å; F198-F201 VanDerWaalsContact CB-CE2 3.42Å; F198-F201 HydrophobicContact CB-CZ 3.5Å; F198-F201 HydrophobicContact CG-CZ 4.33Å |
| 199 | V | 92.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 174 | -172.6 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | C132 A133 Q135 L139 V183 N185 A186 V197 F201 | C132-V199 WeakPolarHBondContact CA-O 3.37Å; C132-V199 WeakPolarHBondContact CB-O 3.4Å; A133-V199 HydrophobicContact CB-CG2 3.92Å; A133-V199 PolarHBondContact N-O 2.9Å; A133-V199 PolarHBondContact O-N 2.86Å; Q135-V199 HydrophobicContact CB-CG1 4.3Å; L139-V199 HydrophobicContact CD2-CG2 3.66Å; V183-V199 HydrophobicContact CG1-CB 4.1Å; N185-V199 CarbonylContact O-C 3.55Å; A186-V199 HydrophobicContact CB-CG1 3.91Å; V197-V199 HydrophobicContact CG1-CG1 4.06Å; V199-F201 VanDerWaalsContact C-N 3.27Å; V199-F201 PolarHBondContact O-N 2.88Å |
| 200 | S | 89.6 | Confident | 92.1 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | trans | 59.7 | 30.3 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 115 | N185 L202 | N185-S200 PolarHBondContact O-N 3.36Å; S200-L202 PolarHBondContact O-N 2.86Å | ||
| 201 | F | 90.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | trans | -68.5 | 126.1 | 170.5 | -69.2 | -78.9 | 0 | 0 | 0 | 111.4 | C132 M144 N185 L187 F198 V199 S203 R204 T207 | C132-F201 HydrophobicContact CB-CD1 3.76Å; C132-F201 HydrophobicContact CB-CE1 3.53Å; C132-F201 HydrophobicContact CB-CE2 4.31Å; C132-F201 HydrophobicContact CB-CG 4.25Å; C132-F201 HydrophobicContact CB-CZ 3.84Å; M144-F201 HydrophobicContact CE-CE1 3.76Å; M144-F201 HydrophobicContact CE-CZ 4.15Å; M144-F201 HydrophobicContact SD-CE1 4.44Å; M144-F201 HydrophobicContact SD-CZ 4.38Å; N185-F201 WeakPolarHBondContact CB-O 3.38Å; N185-F201 PolarHBondContact ND2-O 2.91Å; N185-F201 PolarHBondContact O-N 3.48Å; L187-F201 HydrophobicContact CB-CD2 4.18Å; L187-F201 HydrophobicContact CB-CE2 3.76Å; F198-F201 HydrophobicContact CB-CE2 3.42Å; F198-F201 VanDerWaalsContact CB-CE2 3.42Å; F198-F201 HydrophobicContact CB-CZ 3.5Å; F198-F201 HydrophobicContact CG-CZ 4.33Å; V199-F201 VanDerWaalsContact C-N 3.27Å; V199-F201 PolarHBondContact O-N 2.88Å; F201-S203 PolarHBondContact O-N 2.89Å; F201-R204 HydrophobicContact CB-CB 4.06Å; F201-T207 HydrophobicContact CD1-CG2 4.01Å; F201-T207 HydrophobicContact CE1-CG2 3.84Å; F201-T207 HydrophobicContact CZ-CG2 4.46Å | ||
| 202 | L | 88.9 | Confident | 92.1 | Very high | 141 Ų | 141 | 58.7 Ų | 58.7 | 74% | 0.738 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.6 | 172.7 | -78 | 69.2 | 0 | 0 | 0 | 112.1 | S200 | S200-L202 PolarHBondContact O-N 2.86Š|
| 203 | S | 89.3 | Confident | 92.1 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 50.1 | -173.4 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | F201 N205 N206 T207 | F201-S203 PolarHBondContact O-N 2.89Å; S203-N205 PolarHBondContact O-N 3.02Å; S203-N206 WeakPolarHBondContact O-CA 3.48Å; S203-N206 WeakPolarHBondContact O-CB 3.22Å; S203-N206 PolarHBondContact O-N 2.85Å; S203-T207 PolarHBondContact O-N 2.9Å; S203-T207 VanDerWaalsContact O-N 3.09Å; S203-T207 PolarHBondContact O-OG1 3.04Å |
| 204 | R | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -39.1 | -44.9 | -177.8 | -174.3 | -154.8 | 61.4 | -167.4 | -1.1 | 113.9 | P184 A186 L187 F201 N206 F208 | P184-R204 PolarHBondContact O-NH1 3.01Å; A186-R204 WeakPolarHBondContact O-CD 3.49Å; L187-R204 HydrophobicContact CB-CG 4.44Å; F201-R204 HydrophobicContact CB-CB 4.06Å; R204-N206 PolarHBondContact O-N 2.94Å; R204-F208 VanDerWaalsContact O-CB 3.27Å; R204-F208 WeakPolarHBondContact O-CB 3.5Å; R204-F208 PolarHBondContact O-N 3.25Å |
| 205 | N | 91.6 | Very high | 92.2 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | -178.3 | -79.6 | 5.4 | 0 | 0 | 0 | 113.6 | S203 K209 | S203-N205 PolarHBondContact O-N 3.02Å; N205-K209 PolarHBondContact O-N 3.22Å |
| 206 | N | 92.5 | Very high | 91.8 | Very high | 100 Ų | 100 | 48.5 Ų | 48.5 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -75.6 | -48.9 | 175.3 | -169 | 20.4 | 0 | 0 | 0 | 110.5 | S203 R204 F208 K209 F210 | S203-N206 WeakPolarHBondContact O-CA 3.48Å; S203-N206 WeakPolarHBondContact O-CB 3.22Å; S203-N206 PolarHBondContact O-N 2.85Å; R204-N206 PolarHBondContact O-N 2.94Å; N206-F208 PolarHBondContact O-N 3.09Å; N206-K209 PolarHBondContact O-N 2.91Å; N206-F210 WeakPolarHBondContact O-CB 3.35Å; N206-F210 PolarHBondContact O-N 2.78Å |
| 207 | T | 93.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.2 | -41.5 | 174.5 | -52.5 | 0 | 0 | 0 | 0 | 112 | Y130 M144 F201 S203 F210 L211 | Y130-T207 HydrophobicContact CD1-CG2 4.24Å; Y130-T207 VanDerWaalsContact CD1-OG1 3.27Å; Y130-T207 WeakPolarHBondContact CD1-OG1 3.19Å; Y130-T207 HydrophobicContact CD2-CG2 3.89Å; Y130-T207 HydrophobicContact CE1-CG2 4.15Å; Y130-T207 WeakPolarHBondContact CE1-OG1 3.48Å; Y130-T207 HydrophobicContact CE2-CG2 3.76Å; Y130-T207 HydrophobicContact CG-CG2 4.1Å; M144-T207 HydrophobicContact CE-CG2 3.63Å; F201-T207 HydrophobicContact CD1-CG2 4.01Å; F201-T207 HydrophobicContact CE1-CG2 3.84Å; F201-T207 HydrophobicContact CZ-CG2 4.46Å; S203-T207 PolarHBondContact O-N 2.9Å; S203-T207 VanDerWaalsContact O-N 3.09Å; S203-T207 PolarHBondContact O-OG1 3.04Å; T207-F210 PolarHBondContact O-N 3.34Å; T207-L211 HydrophobicContact CG2-CD1 3.93Å; T207-L211 HydrophobicContact CG2-CG 4.3Å; T207-L211 WeakPolarHBondContact O-CB 3.31Å; T207-L211 VanDerWaalsContact O-CG 3.27Å; T207-L211 WeakPolarHBondContact O-CG 3.37Å; T207-L211 PolarHBondContact O-N 3.02Å |
| 208 | F | 93.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.3 | 179.1 | -89.2 | 0 | 0 | 0 | 113.5 | I174 K176 L187 R204 N206 F210 K212 | I174-F208 HydrophobicContact CG2-CD2 3.73Å; I174-F208 HydrophobicContact CG2-CE2 3.81Å; I174-F208 WeakPolarHBondContact O-CE2 3.38Å; K176-F208 HydrophobicContact CD-CD1 4.43Å; K176-F208 HydrophobicContact CD-CD2 4.24Å; K176-F208 HydrophobicContact CD-CE2 4.46Å; K176-F208 HydrophobicContact CD-CG 4.21Å; K176-F208 HydrophobicContact CG-CB 4.42Å; K176-F208 HydrophobicContact CG-CD1 4.5Å; K176-F208 HydrophobicContact CG-CD2 3.46Å; K176-F208 VanDerWaalsContact CG-CD2 3.46Å; K176-F208 HydrophobicContact CG-CE2 3.7Å; K176-F208 HydrophobicContact CG-CG 3.89Å; K176-F208 HydrophobicContact CG-CZ 4.3Å; L187-F208 HydrophobicContact CD1-CB 3.85Å; L187-F208 HydrophobicContact CD1-CD2 4.03Å; L187-F208 HydrophobicContact CD1-CG 4.46Å; R204-F208 VanDerWaalsContact O-CB 3.27Å; R204-F208 WeakPolarHBondContact O-CB 3.5Å; R204-F208 PolarHBondContact O-N 3.25Å; N206-F208 PolarHBondContact O-N 3.09Å; F208-F210 VanDerWaalsContact C-N 3.33Å; F208-K212 HydrophobicContact CE1-CD 3.78Å; F208-K212 HydrophobicContact CZ-CD 3.98Å; F208-K212 PolarHBondContact O-N 2.95Å; F208-K212 VanDerWaalsContact O-N 3.1Å |
| 209 | K | 93.6 | Very high | 89.6 | Confident | 158 Ų | 158 | 54.5 Ų | 54.5 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 176.8 | -75.9 | -174.4 | 175.5 | -168.7 | 0 | 110.4 | N205 N206 K212 S213 | N205-K209 PolarHBondContact O-N 3.22Å; N206-K209 PolarHBondContact O-N 2.91Å; K209-K212 PolarHBondContact O-N 3.22Å; K209-S213 PolarHBondContact O-N 2.89Å; K209-S213 PolarHBondContact O-OG 3.29Å |
| 210 | F | 93.7 | Very high | 88 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | -178.7 | -175.9 | -101.1 | 0 | 0 | 0 | 112.9 | K127 Q128 Y130 V146 N206 T207 F208 K212 S213 I214 | K127-F210 HydrophobicContact CB-CZ 3.84Å; Q128-F210 HydrophobicContact CB-CD1 4.31Å; Q128-F210 HydrophobicContact CB-CE1 3.5Å; Q128-F210 VanDerWaalsContact CB-CE1 3.5Å; Q128-F210 HydrophobicContact CB-CE2 4.44Å; Q128-F210 HydrophobicContact CB-CZ 3.57Å; Q128-F210 HydrophobicContact CG-CE1 4.24Å; Q128-F210 HydrophobicContact CG-CZ 4.45Å; Y130-F210 HydrophobicContact CE2-CD1 4.02Å; Y130-F210 HydrophobicContact CE2-CE1 4.43Å; Y130-F210 WeakPolarHBondContact OH-CB 3.48Å; Y130-F210 VanDerWaalsContact OH-CD1 3.28Å; Y130-F210 WeakPolarHBondContact OH-CD1 3.43Å; Y130-F210 WeakPolarHBondContact OH-CG 3.3Å; V146-F210 HydrophobicContact CB-CE1 4.03Å; V146-F210 HydrophobicContact CG1-CD1 4.47Å; V146-F210 HydrophobicContact CG1-CE1 3.87Å; N206-F210 WeakPolarHBondContact O-CB 3.35Å; N206-F210 PolarHBondContact O-N 2.78Å; T207-F210 PolarHBondContact O-N 3.34Å; F208-F210 VanDerWaalsContact C-N 3.33Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 2.93Å; F210-S213 WeakPolarHBondContact CA-OG 3.43Å; F210-S213 PolarHBondContact O-N 3.48Å; F210-S213 PolarHBondContact O-OG 3.45Å; F210-I214 HydrophobicContact CD1-CD1 4.02Å; F210-I214 HydrophobicContact CE1-CD1 3.4Å; F210-I214 HydrophobicContact CE2-CD1 4.19Å; F210-I214 HydrophobicContact CZ-CD1 3.51Å; F210-I214 PolarHBondContact O-N 3.42Å |
| 211 | L | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 175.9 | -71.2 | 170.4 | 0 | 0 | 0 | 111.6 | M144 V146 I151 I174 L187 I189 T207 I214 C215 | M144-L211 HydrophobicContact CE-CD1 4.05Å; M144-L211 HydrophobicContact CE-CD2 4.18Å; M144-L211 HydrophobicContact CE-CG 4.43Å; V146-L211 HydrophobicContact CG1-CD2 4.06Å; V146-L211 HydrophobicContact CG2-CD2 3.83Å; I151-L211 HydrophobicContact CD1-CD2 3.86Å; I151-L211 HydrophobicContact CG1-CD2 3.95Å; I151-L211 HydrophobicContact CG2-CD2 4.45Å; I174-L211 HydrophobicContact CD1-CB 3.84Å; L187-L211 HydrophobicContact CD1-CD1 4.07Å; L187-L211 HydrophobicContact CD2-CD1 3.94Å; I189-L211 HydrophobicContact CD1-CD1 4.11Å; T207-L211 HydrophobicContact CG2-CD1 3.93Å; T207-L211 HydrophobicContact CG2-CG 4.3Å; T207-L211 WeakPolarHBondContact O-CB 3.31Å; T207-L211 VanDerWaalsContact O-CG 3.27Å; T207-L211 WeakPolarHBondContact O-CG 3.37Å; T207-L211 PolarHBondContact O-N 3.02Å; L211-I214 PolarHBondContact O-N 3.41Å; L211-C215 PolarHBondContact O-N 2.98Å; L211-C215 VanDerWaalsContact O-N 3.15Å; L211-C215 PolarHBondContact O-SG 3.21Å |
| 212 | K | 92.2 | Very high | 84.5 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 173.1 | -98.5 | -171.6 | 149.4 | -74.5 | 0 | 112.5 | F208 K209 F210 I214 C215 E219 | F208-K212 HydrophobicContact CE1-CD 3.78Å; F208-K212 HydrophobicContact CZ-CD 3.98Å; F208-K212 PolarHBondContact O-N 2.95Å; F208-K212 VanDerWaalsContact O-N 3.1Å; K209-K212 PolarHBondContact O-N 3.22Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 2.93Å; K212-I214 PolarHBondContact O-N 3.25Å; K212-I214 VanDerWaalsContact O-N 3.11Å; K212-C215 CarbonylContact O-C 3.59Å; K212-C215 PolarHBondContact O-N 3.49Å; K212-E219 IonicContact NZ-OE1 2.57Å; K212-E219 PolarHBondContact NZ-OE1 2.83Å |
| 213 | S | 92.1 | Very high | 82.6 | Confident | 86 Ų | 86 | 69.7 Ų | 69.7 | 60% | 0.601 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.4 | -14.5 | 178.5 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | K209 F210 | K209-S213 PolarHBondContact O-N 2.89Å; K209-S213 PolarHBondContact O-OG 3.29Å; F210-S213 WeakPolarHBondContact CA-OG 3.43Å; F210-S213 PolarHBondContact O-N 3.48Å; F210-S213 PolarHBondContact O-OG 3.45Å |
| 214 | I | 91.9 | Very high | 80.3 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.062 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -94.9 | -18.7 | 173.6 | -72.4 | 175.5 | 0 | 0 | 0 | 111.9 | V146 V168 F210 L211 K212 P216 | V146-I214 HydrophobicContact CG1-CD1 3.59Å; V168-I214 HydrophobicContact CG1-CG2 4.32Å; V168-I214 VanDerWaalsContact CG1-O 3.26Å; V168-I214 WeakPolarHBondContact CG1-O 3.36Å; V168-I214 HydrophobicContact CG2-CG2 3.77Å; F210-I214 HydrophobicContact CD1-CD1 4.02Å; F210-I214 HydrophobicContact CE1-CD1 3.4Å; F210-I214 HydrophobicContact CE2-CD1 4.19Å; F210-I214 HydrophobicContact CZ-CD1 3.51Å; F210-I214 PolarHBondContact O-N 3.42Å; L211-I214 PolarHBondContact O-N 3.41Å; K212-I214 PolarHBondContact O-N 3.25Å; K212-I214 VanDerWaalsContact O-N 3.11Å; I214-P216 WeakPolarHBondContact O-CD 3.27Å |
| 215 | C | 90 | Very high | 77.9 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -111.8 | 67 | -178.3 | -54 | 0 | 0 | 0 | 0 | 111.2 | V168 I174 L211 K212 H217 L218 | V168-C215 HydrophobicContact CG1-CB 4.3Å; I174-C215 HydrophobicContact CD1-CB 4.42Å; L211-C215 PolarHBondContact O-N 2.98Å; L211-C215 VanDerWaalsContact O-N 3.15Å; L211-C215 PolarHBondContact O-SG 3.21Å; K212-C215 CarbonylContact O-C 3.59Å; K212-C215 PolarHBondContact O-N 3.49Å; C215-H217 VanDerWaalsContact C-N 3.26Å; C215-H217 PolarHBondContact O-N 2.75Å; C215-L218 HydrophobicContact CB-CB 4.47Å; C215-L218 HydrophobicContact CB-CD1 3.45Å; C215-L218 VanDerWaalsContact CB-CD1 3.45Å; C215-L218 HydrophobicContact CB-CG 3.77Å; C215-L218 WeakPolarHBondContact O-CB 3.1Å; C215-L218 PolarHBondContact O-N 2.97Å; C215-L218 VanDerWaalsContact O-N 3.09Å | ||
| 216 | P | 84.8 | Confident | 75.4 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.9 | -169.7 | 26.7 | -36.3 | 0 | 0 | 0 | 113.6 | I214 L218 E219 | I214-P216 WeakPolarHBondContact O-CD 3.27Å; P216-L218 PolarHBondContact O-N 3.48Å; P216-E219 PolarHBondContact O-N 3.42Å; P216-E219 VanDerWaalsContact O-N 3.1Å |
| 217 | H | 86.3 | Confident | 73.2 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 25% | 0.245 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.4 | -29.3 | 176 | 59.5 | -64.9 | 0 | 0 | 0 | 112.9 | V168 V171 C215 E219 V220 | V168-H217 PolarHBondContact O-CE1 3.46Å; V168-H217 PolarHBondContact O-NE2 3.23Å; V171-H217 PolarHBondContact O-CD2 3.25Å; V171-H217 PolarHBondContact O-NE2 2.99Å; C215-H217 VanDerWaalsContact C-N 3.26Å; C215-H217 PolarHBondContact O-N 2.75Å; H217-E219 PolarHBondContact O-N 3.09Å; H217-E219 VanDerWaalsContact O-N 3.12Å; H217-V220 PolarHBondContact O-N 3.41Å |
| 218 | L | 82.7 | Confident | 70.7 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 11% | 0.105 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -69.3 | -4.3 | 176.4 | -60.3 | -177.7 | 0 | 0 | 0 | 114.7 | V171 K172 I174 C215 P216 | V171-L218 HydrophobicContact CG1-CD1 3.87Å; V171-L218 HydrophobicContact CG1-CD2 4.36Å; V171-L218 WeakPolarHBondContact O-CD2 3.45Å; K172-L218 VanDerWaalsContact O-CD2 3.28Å; K172-L218 WeakPolarHBondContact O-CD2 3.29Å; I174-L218 HydrophobicContact CB-CD1 4.29Å; I174-L218 HydrophobicContact CD1-CD1 3.54Å; I174-L218 HydrophobicContact CG1-CD1 3.59Å; C215-L218 HydrophobicContact CB-CB 4.47Å; C215-L218 HydrophobicContact CB-CD1 3.45Å; C215-L218 VanDerWaalsContact CB-CD1 3.45Å; C215-L218 HydrophobicContact CB-CG 3.77Å; C215-L218 WeakPolarHBondContact O-CB 3.1Å; C215-L218 PolarHBondContact O-N 2.97Å; C215-L218 VanDerWaalsContact O-N 3.09Å; P216-L218 PolarHBondContact O-N 3.48Å |
| 219 | E | 65.6 | Low | 67.9 | Low | 105 Ų | 105 | 84 Ų | 84 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -105 | -22 | 176.2 | -46.5 | -139 | 120.4 | 0 | 0 | 111.5 | K212 P216 H217 | K212-E219 IonicContact NZ-OE1 2.57Å; K212-E219 PolarHBondContact NZ-OE1 2.83Å; P216-E219 PolarHBondContact O-N 3.42Å; P216-E219 VanDerWaalsContact O-N 3.1Å; H217-E219 PolarHBondContact O-N 3.09Å; H217-E219 VanDerWaalsContact O-N 3.12Å |
| 220 | V | 59.3 | Low | 65.7 | Low | 90 Ų | 90 | 81.4 Ų | 81.4 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | H217 K222 I223 S224 | H217-V220 PolarHBondContact O-N 3.41Å; V220-K222 PolarHBondContact O-N 2.87Å; V220-I223 PolarHBondContact O-N 3.49Å; V220-S224 PolarHBondContact O-N 3.2Å |
| 221 | D | 54.4 | Low | 63.1 | Low | 110 Ų | 110 | 84.2 Ų | 84.2 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -2.9 | -179 | -87.6 | -19 | 0 | 0 | 0 | 115.1 | S224 | D221-S224 WeakPolarHBondContact CA-OG 3.23Å; D221-S224 PolarHBondContact OD1-OG 2.9Å |
| 222 | K | 52.1 | Low | 60.3 | Low | 180 Ų | 180 | 89.6 Ų | 89.6 | 78% | 0.783 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -4.4 | 167.9 | -84.6 | -172 | 160.1 | -107.6 | 0 | 114.2 | V220 | V220-K222 PolarHBondContact O-N 2.87Š|
| 223 | I | 51.1 | Low | 57.6 | Low | 144 Ų | 144 | 96.2 Ų | 96.2 | 74% | 0.738 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -23.9 | -174.8 | -53 | 172.6 | 0 | 0 | 0 | 110.4 | V220 | V220-I223 PolarHBondContact O-N 3.49Š|
| 224 | S | 40.3 | Very low | 55 | Low | 72 Ų | 72 | 99.4 Ų | 99.4 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -81.6 | -14.5 | -178.1 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | V220 D221 S226 | V220-S224 PolarHBondContact O-N 3.2Å; D221-S224 WeakPolarHBondContact CA-OG 3.23Å; D221-S224 PolarHBondContact OD1-OG 2.9Å; S224-S226 PolarHBondContact O-N 2.96Å |
| 225 | S | 39.9 | Very low | 52.4 | Low | 103 Ų | 103 | 103.5 Ų | 103.5 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | trans | -81.7 | 53.5 | -173.4 | 69.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 226 | S | 39 | Very low | 49.7 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -152.6 | 109.3 | 167.8 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | S224 V228 | S224-S226 PolarHBondContact O-N 2.96Å; S226-V228 PolarHBondContact O-N 3.32Å |
| 227 | P | 47.7 | Very low | 48 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | trans | -85.5 | 111.1 | -178.3 | 31.7 | -31.9 | 0 | 0 | 0 | 112.6 | ||||
| 228 | V | 40.6 | Very low | 45.4 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | trans | 51.8 | 112.4 | 144.9 | -171.5 | 0 | 0 | 0 | 0 | 118.6 | S226 | S226-V228 PolarHBondContact O-N 3.32Š| ||
| 229 | A | 34.8 | Very low | 43.1 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -125.6 | 129.1 | 132.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 230 | S | 48.3 | Very low | 41.8 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -128.7 | 125.9 | -169.4 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 231 | S | 37.5 | Very low | 40.8 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -160.9 | 126.6 | 164.2 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 232 | C | 35.7 | Very low | 40.1 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 36.9 | 93.3 | 153.5 | 60.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 233 | E | 35.9 | Very low | 39.3 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | 1 | 116.1 | 112.2 | -176.7 | 172 | 112.2 | 0 | 0 | 116.9 | |||||
| 234 | N | 37 | Very low | 38.8 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -171.5 | 167.5 | 115.5 | -132.9 | -33.1 | 0 | 0 | 0 | 114.7 | |||||
| 235 | S | 37.7 | Very low | 38.9 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 83.5 | 117.2 | 152.8 | -152.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 236 | F | 33.3 | Very low | 38.7 | Very low | 202 Ų | 202 | 133.1 Ų | 133.1 | 89% | 0.886 | 80% | 0.801 | S | S | * | * | trans | 79.9 | 135.4 | 145.6 | -104.1 | -101.2 | 0 | 0 | 0 | 123.6 | ||||
| 237 | R | 48.1 | Very low | 38.3 | Very low | 237 Ų | 237 | 133.7 Ų | 133.7 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -78 | 140.3 | 170.7 | -64.3 | -101.1 | -155.7 | 178.5 | 5.4 | 110.3 | ||||
| 238 | A | 32.9 | Very low | 37.7 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -142.4 | 137.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 239 | S | 34.4 | Very low | 37.8 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 146.3 | 178.7 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 240 | C | 38.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -63.2 | 150.3 | 163.8 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 241 | P | 37.4 | Very low | 37.6 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -128 | 153.3 | 137.9 | 35.8 | -26.7 | 0 | 0 | 0 | 112.3 | ||||
| 242 | T | 40.4 | Very low | 37.7 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -104 | 124.6 | 177.4 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 243 | S | 34.2 | Very low | 38.5 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -162.9 | 136.1 | 153.3 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 244 | L | 42.4 | Very low | 39.2 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -92.2 | 153.9 | 155.1 | -63.8 | 169.8 | 0 | 0 | 0 | 106.9 | ||||
| 245 | P | 41.1 | Very low | 39.9 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -152 | 161.8 | 93.1 | 39 | -21.5 | 0 | 0 | 0 | 117.3 | |||||
| 246 | L | 37 | Very low | 40.5 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | 63.8 | 111.3 | 146.3 | -70.7 | 165.3 | 0 | 0 | 0 | 122 | ||||
| 247 | D | 30.6 | Very low | 41.4 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | 59.8 | 110.1 | 116.3 | -163.6 | 15 | 0 | 0 | 0 | 120.3 | S249 | D247-S249 PolarHBondContact OD1-N 3.39Š| |||
| 248 | F | 33.9 | Very low | 41.6 | Very low | 215 Ų | 215 | 130.1 Ų | 130.1 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -131.5 | 124.4 | 133.6 | -87.7 | -80.7 | 0 | 0 | 0 | 109.4 | ||||
| 249 | S | 43.2 | Very low | 42.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -92.6 | 136.6 | 165.9 | 32.9 | 0 | 0 | 0 | 0 | 109.9 | D247 | D247-S249 PolarHBondContact OD1-N 3.39Š| ||
| 250 | G | 37.5 | Very low | 43 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | 163 | 126 | -178 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 251 | D | 40.8 | Very low | 43.6 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -64.3 | 150.7 | -172.1 | -54.7 | -79.8 | 0 | 0 | 0 | 113.9 | ||||
| 252 | F | 39.6 | Very low | 44 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | -161.7 | 100.2 | 124.2 | -94.9 | -62.4 | 0 | 0 | 0 | 110 | D254 | F252-D254 PolarHBondContact O-N 3.39Š| |||
| 253 | S | 52 | Low | 44.4 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -90.6 | 90.1 | -178.2 | -64.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 254 | D | 52.2 | Low | 44.8 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | -143.3 | 49.4 | -166.5 | -138.5 | -9.2 | 0 | 0 | 0 | 115.1 | F252 | F252-D254 PolarHBondContact O-N 3.39Š| ||
| 255 | L | 50.5 | Low | 44.8 | Very low | 172 Ų | 172 | 135 Ų | 135 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -148.5 | 9.5 | 173.2 | -142.8 | 81.4 | 0 | 0 | 0 | 117.5 | ||
| 256 | D | 50.7 | Low | 44.8 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | trans | -95 | 0.1 | -177.8 | -154.7 | 16.9 | 0 | 0 | 0 | 114.4 | V258 V259 | D256-V258 PolarHBondContact O-N 2.89Å; D256-V259 PolarHBondContact O-N 2.89Å | ||
| 257 | G | 52.5 | Low | 45 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -63.8 | -9.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 258 | V | 52.2 | Low | 45.5 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -96.5 | -18.8 | -173.4 | -172.8 | 0 | 0 | 0 | 0 | 113.1 | D256 | D256-V258 PolarHBondContact O-N 2.89Å |
| 259 | V | 48.8 | Very low | 45.4 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 49% | 0.485 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -91.8 | -22.4 | -173.4 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | D256 | D256-V259 PolarHBondContact O-N 2.89Å |
| 260 | H | 48 | Very low | 45.3 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 52% | 0.523 | 74% | 0.738 | S | S | . | * | H | α-helix | trans | -84.5 | -41.6 | -175.7 | -83 | -90.4 | 0 | 0 | 0 | 114.3 | R262 R263 | H260-R262 VanDerWaalsContact C-N 3.32Å; H260-R262 PolarHBondContact O-N 3.25Å; H260-R263 PolarHBondContact O-N 2.74Å |
| 261 | Q | 50.8 | Low | 45.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 57% | 0.57 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -53.9 | -44.6 | -174.4 | -169.5 | 63.6 | 46 | 0 | 0 | 113.2 | R263 Q264 | Q261-R263 PolarHBondContact O-N 3.26Å; Q261-R263 VanDerWaalsContact O-N 3.09Å; Q261-Q264 PolarHBondContact O-N 2.88Å |
| 262 | R | 46.4 | Very low | 45.3 | Very low | 224 Ų | 224 | 138.5 Ų | 138.5 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -67.6 | -9.5 | -178.8 | -172.9 | 171.6 | -69.8 | 140.2 | 1.2 | 114.3 | H260 | H260-R262 VanDerWaalsContact C-N 3.32Å; H260-R262 PolarHBondContact O-N 3.25Å |
| 263 | R | 48.5 | Very low | 45 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -95 | -11.6 | 176.4 | -80.2 | -169.3 | 173.1 | 87.2 | -4 | 114.2 | H260 Q261 | H260-R263 PolarHBondContact O-N 2.74Å; Q261-R263 PolarHBondContact O-N 3.26Å; Q261-R263 VanDerWaalsContact O-N 3.09Å |
| 264 | Q | 42.7 | Very low | 44.3 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -95.7 | -33 | -170.3 | -147.8 | 149.1 | -13.6 | 0 | 0 | 112.7 | Q261 M266 M267 | Q261-Q264 PolarHBondContact O-N 2.88Å; Q264-M266 PolarHBondContact O-N 2.93Å; Q264-M267 PolarHBondContact O-N 3.28Å |
| 265 | D | 42.1 | Very low | 43.3 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 16.7 | 178.6 | -50 | -23.8 | 0 | 0 | 0 | 115 | ||
| 266 | M | 42 | Very low | 42.9 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 80% | 0.803 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 19.8 | -179.9 | -152.1 | -172.3 | 78.9 | 0 | 0 | 113.4 | Q264 | Q264-M266 PolarHBondContact O-N 2.93Š|
| 267 | M | 41.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -138.6 | 27.3 | 179 | -71.3 | -162.7 | 171.5 | 0 | 0 | 115.7 | Q264 | Q264-M267 PolarHBondContact O-N 3.28Š| ||
| 268 | E | 40 | Very low | 41.5 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -123.1 | 80.4 | 174.8 | -69.7 | -158.9 | 139.3 | 0 | 0 | 114.3 | ||||
| 269 | S | 32.7 | Very low | 40.5 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | trans | 179.4 | 124.2 | 143.2 | -83.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 270 | S | 41.3 | Very low | 39.8 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -142.7 | 131.1 | -171.9 | -153.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 271 | S | 43.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 62.4 | 122.8 | 160.2 | -160.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 272 | S | 34.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | 167.1 | 161.9 | 94.7 | -166.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 273 | G | 32.4 | Very low | 37.5 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 118.4 | 115.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 274 | S | 37.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -127 | 146.9 | 178.6 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 275 | Q | 31.8 | Very low | 35.9 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 175.5 | 154.2 | 130.9 | -98.4 | 174.4 | 8.8 | 0 | 0 | 112.4 | ||||
| 276 | T | 41.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -95.5 | 154.1 | 164.8 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 277 | P | 41.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -138.4 | -176.3 | 124.2 | 36 | -22.1 | 0 | 0 | 0 | 113.7 | |||||
| 278 | D | 31.8 | Very low | 34 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -89.8 | -177.6 | -157.4 | -54.6 | -96 | 0 | 0 | 0 | 117.2 | ||||
| 279 | Y | 32.1 | Very low | 34.2 | Very low | 217 Ų | 217 | 132.6 Ų | 132.6 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -0.2 | 142.6 | 154.7 | -85.8 | -101.3 | 0 | 0 | 0 | 118 | ||||
| 280 | D | 33.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -171.7 | 178.2 | 46.8 | -161 | -0.2 | 0 | 0 | 0 | 112.8 | ||||
| 281 | K | 30.1 | Very low | 33.4 | Very low | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | trans | 93.3 | 104.8 | 137.3 | -152.5 | 153.4 | -175.3 | 171.6 | 0 | 122.7 | ||||
| 282 | I | 36.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | 55.9 | 113.8 | 154 | 35.3 | 164.7 | 0 | 0 | 0 | 125.1 | ||||
| 283 | S | 29.6 | Very low | 32.5 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | 62.8 | 152.2 | 112.3 | 78.4 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 284 | D | 27.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | 98.2 | 103.4 | 147 | -57.6 | -44.7 | 0 | 0 | 0 | 123.4 | ||||
| 285 | F | 30.3 | Very low | 31.4 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | 56 | 104 | 136 | -71.3 | -84.3 | 0 | 0 | 0 | 124.1 | ||||
| 286 | S | 27.7 | Very low | 31.2 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 89.1 | 169.6 | 113.6 | 82.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 287 | S | 27.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 87.6 | 103.6 | 167 | 70.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 288 | L | 30.8 | Very low | 29.9 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -72 | 173.6 | 139.3 | -128.1 | 70 | 0 | 0 | 0 | 108.4 | ||||
| 289 | P | 43.6 | Very low | 29.5 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | cis | -140.8 | -176.7 | 1.9 | 41.3 | -21.2 | 0 | 0 | 0 | 117 | ||||
| 290 | D | 29.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 38.1 | 133.6 | 146.2 | -61.6 | -36.4 | 0 | 0 | 0 | 122.9 | ||||
| 291 | T | 28.2 | Very low | 29.2 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | -175 | 125.4 | 114 | -79.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 292 | F | 25.3 | Very low | 29 | Very low | 180 Ų | 180 | 138 Ų | 138 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | 25.1 | 132.2 | 152.7 | -75.9 | -112.4 | 0 | 0 | 0 | 122 | ||||
| 293 | L | 31.9 | Very low | 28.4 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | -144.3 | 140.5 | 118 | -113.9 | 179.2 | 0 | 0 | 0 | 111.2 | |||||
| 294 | S | 23.9 | Very low | 28.4 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -137.3 | 131.9 | -175.2 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 295 | A | 24.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -155.2 | 147.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 296 | A | 28 | Very low | 28.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -69.9 | 174.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 297 | K | 29.1 | Very low | 28.7 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | cis | -174.4 | 147.5 | 41.9 | -157.8 | -176.9 | -170.9 | 178.3 | 0 | 114.1 | ||||
| 298 | T | 25.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 65.9 | 134.9 | 165 | 9.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 299 | R | 24.3 | Very low | 29.1 | Very low | 239 Ų | 239 | 143.1 Ų | 143.1 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | cis | -155.4 | 147.3 | 31.5 | -177 | 178.2 | -176 | 160.5 | 1.8 | 112 | ||||
| 300 | E | 28.5 | Very low | 28.3 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -87.9 | 169.2 | -179 | -131.2 | 166.7 | -166.8 | 0 | 0 | 110.9 | ||||
| 301 | V | 29.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | cis | -147 | 155.2 | 26.9 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | V303 | V301-V303 HydrophobicContact CG1-CG2 4.1Š| ||
| 302 | S | 25.9 | Very low | 29.3 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -124.7 | 151.9 | 159.8 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 303 | V | 24.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -128.3 | 134 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | V301 | V301-V303 HydrophobicContact CG1-CG2 4.1Š| ||
| 304 | H | 29.9 | Very low | 29.2 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -101.4 | 162.7 | -172.7 | -174.3 | 52.5 | 0 | 0 | 0 | 111.3 | ||||
| 305 | A | 29.1 | Very low | 29.5 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -142.5 | 126.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 306 | D | 29.9 | Very low | 29.7 | Very low | 137 Ų | 137 | 149 Ų | 149 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -152.8 | 132.1 | -176.5 | -168.9 | 15.2 | 0 | 0 | 0 | 108.9 | ||||
| 307 | I | 33.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -146.4 | 131.5 | -179.8 | -63.7 | -174.3 | 0 | 0 | 0 | 110.3 | ||||
| 308 | H | 30.6 | Very low | 29.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -110.7 | 168.5 | -178.6 | -159.4 | 83.7 | 0 | 0 | 0 | 113.1 | ||||
| 309 | L | 35.3 | Very low | 29.9 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -81.7 | 137.7 | -179.1 | -107.3 | 125.6 | 0 | 0 | 0 | 113.7 | ||||
| 310 | Q | 27.5 | Very low | 30.2 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -170.5 | 175.4 | 137.6 | -110.4 | 176.7 | 30.7 | 0 | 0 | 113.9 | ||||
| 311 | N | 26.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -164.9 | 173 | -165.5 | -157.3 | 35.2 | 0 | 0 | 0 | 108.6 | ||||
| 312 | P | 50.8 | Low | 30.4 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -120.9 | 171.4 | -48.8 | 35.4 | -22 | 0 | 0 | 0 | 113.6 | ||||
| 313 | S | 26.7 | Very low | 30.6 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -168.4 | 131.2 | 144.8 | -93.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 314 | Q | 29.8 | Very low | 30.9 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 32.9 | 136.4 | 145.3 | -65.7 | -159.2 | 16.2 | 0 | 0 | 125.6 | ||||
| 315 | K | 28.5 | Very low | 31 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | 103.6 | 119.9 | 126.5 | -96.6 | -178.8 | 174.8 | -177.2 | 0 | 121.8 | |||||
| 316 | H | 28.7 | Very low | 31.3 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | 57.6 | 141.1 | 158.4 | -49.8 | -68 | 0 | 0 | 0 | 118.4 | ||||
| 317 | G | 27.6 | Very low | 32.5 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | cis | 179.3 | 155.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 318 | A | 30.2 | Very low | 33.2 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 24.5 | 127.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 319 | A | 30.7 | Very low | 33.3 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | 174.2 | 119 | 109 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 320 | L | 30.2 | Very low | 33 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 54.4 | 136.4 | 143.4 | -75.8 | 93.8 | 0 | 0 | 0 | 124.6 | ||||
| 321 | K | 32.9 | Very low | 33.5 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | 70.9 | 151.1 | 146.1 | -71.7 | 166.9 | 176.2 | 175.7 | 0 | 118.7 | ||||
| 322 | N | 28.4 | Very low | 33.7 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | cis | -175.6 | 137.2 | -35.4 | -115 | 20.8 | 0 | 0 | 0 | 106.8 | ||||
| 323 | G | 31.2 | Very low | 33.2 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 167.3 | 131.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 324 | Q | 30.7 | Very low | 33.4 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -117.9 | 139.8 | -178.4 | -59.4 | 166.8 | -59.6 | 0 | 0 | 110.7 | ||||
| 325 | S | 31.5 | Very low | 33.6 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 179.8 | 154.5 | 130.9 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 326 | M | 35 | Very low | 34 | Very low | 177 Ų | 177 | 138 Ų | 138 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -120.8 | 176.7 | 174.6 | -77.3 | -87.4 | -160.9 | 0 | 0 | 108 | ||||
| 327 | P | 56.9 | Low | 34.8 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -114.9 | -131.7 | -15.5 | 28.6 | -4.2 | 0 | 0 | 0 | 107.2 | ||||
| 328 | P | 46.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -134.1 | -170.6 | -21.4 | 42.7 | -24.4 | 0 | 0 | 0 | 115.4 | ||||
| 329 | H | 32.8 | Very low | 36.7 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 43.3 | 106.4 | 157.4 | -68.8 | -60.7 | 0 | 0 | 0 | 121.2 | ||||
| 330 | G | 30.5 | Very low | 37.8 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -155.8 | 111.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 331 | L | 36.5 | Very low | 39.2 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -78 | 130 | 176.3 | -117.6 | 70.4 | 0 | 0 | 0 | 110.4 | ||||
| 332 | R | 30.5 | Very low | 41 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -138.2 | 112.5 | 168.3 | -119.9 | -72.1 | -180 | 165.1 | -0 | 109 | K334 | R332-K334 PolarHBondContact O-N 3.07Š| ||
| 333 | P | 40.8 | Very low | 43.5 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | trans | -57.2 | 134.3 | 169.5 | -24.2 | 35 | 0 | 0 | 0 | 110 | ||||
| 334 | K | 30.4 | Very low | 46.1 | Very low | 200 Ų | 200 | 132.6 Ų | 132.6 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -97.9 | 93.2 | 176.8 | -176.1 | 178.2 | -176.4 | 177 | 0 | 108 | R332 S336 | R332-K334 PolarHBondContact O-N 3.07Å; K334-S336 PolarHBondContact O-N 3.42Å | ||
| 335 | D | 34.9 | Very low | 48.9 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -60.8 | 101.7 | 178.2 | -68.6 | -54.4 | 0 | 0 | 0 | 110.6 | S337 | D335-S337 VanDerWaalsContact C-N 3.34Å; D335-S337 PolarHBondContact O-N 3.29Å | ||
| 336 | S | 36 | Very low | 51.6 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -77.4 | 85.2 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | K334 S338 | K334-S336 PolarHBondContact O-N 3.42Å; S336-S338 PolarHBondContact O-N 3.5Å | ||
| 337 | S | 46.8 | Very low | 54.2 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -70.9 | 66.2 | 178.5 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | D335 | D335-S337 VanDerWaalsContact C-N 3.34Å; D335-S337 PolarHBondContact O-N 3.29Å | ||
| 338 | S | 47.3 | Very low | 55.9 | Low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 67% | 0.672 | S | S | * | * | trans | -113 | 108.6 | 180 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | S336 | S336-S338 PolarHBondContact O-N 3.5Š| ||
| 339 | Q | 49.9 | Very low | 58.2 | Low | 128 Ų | 128 | 123.7 Ų | 123.7 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | trans | 167.5 | 66.5 | 144.2 | -90.5 | -74.7 | 6.9 | 0 | 0 | 112.4 | K341 | Q339-K341 PolarHBondContact O-N 3.36Š| ||
| 340 | P | 54.1 | Low | 61.1 | Low | 89 Ų | 89 | 122.2 Ų | 122.2 | 58% | 0.578 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -66.7 | -19.4 | 166.5 | 29 | -34.6 | 0 | 0 | 0 | 112.6 | S342 L343 H344 | P340-S342 PolarHBondContact O-N 2.99Å; P340-L343 PolarHBondContact O-N 3.37Å; P340-H344 PolarHBondContact O-CD2 3.44Å |
| 341 | K | 59.2 | Low | 64.1 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 67% | 0.674 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.2 | -33.9 | -172.3 | -55.2 | -177.8 | 177.8 | -177.4 | 0 | 113.3 | Q339 L343 H344 V345 | Q339-K341 PolarHBondContact O-N 3.36Å; K341-L343 PolarHBondContact O-N 3.21Å; K341-H344 PolarHBondContact O-N 2.97Å; K341-V345 WeakPolarHBondContact O-CG2 3.3Å; K341-V345 PolarHBondContact O-N 3.43Å; K341-V345 VanDerWaalsContact O-N 3.17Å |
| 342 | S | 69.8 | Low | 67 | Low | 64 Ų | 64 | 121.8 Ų | 121.8 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.3 | -42.9 | 179.6 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | P340 H344 V345 I346 | P340-S342 PolarHBondContact O-N 2.99Å; S342-H344 PolarHBondContact O-N 3.27Å; S342-V345 PolarHBondContact O-N 2.7Å; S342-I346 WeakPolarHBondContact O-CG1 3.4Å; S342-I346 PolarHBondContact O-N 2.98Å |
| 343 | L | 82.3 | Confident | 70.1 | Confident | 126 Ų | 126 | 116.4 Ų | 116.4 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 179.8 | -65.6 | 177.9 | 0 | 0 | 0 | 112.3 | P340 K341 I346 L347 | P340-L343 PolarHBondContact O-N 3.37Å; K341-L343 PolarHBondContact O-N 3.21Å; L343-I346 PolarHBondContact O-N 3.41Å; L343-L347 WeakPolarHBondContact O-CB 3.46Å; L343-L347 PolarHBondContact O-N 3.43Å |
| 344 | H | 86.4 | Confident | 72.7 | Confident | 108 Ų | 108 | 114.1 Ų | 114.1 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.2 | -40.8 | 173.8 | -72.7 | -71.5 | 0 | 0 | 0 | 112.2 | P340 K341 S342 L347 F348 | P340-H344 PolarHBondContact O-CD2 3.44Å; K341-H344 PolarHBondContact O-N 2.97Å; S342-H344 PolarHBondContact O-N 3.27Å; H344-L347 PolarHBondContact O-N 2.85Å; H344-F348 HydrophobicContact CB-CE2 4.39Å; H344-F348 WeakPolarHBondContact O-CD2 3.45Å; H344-F348 PolarHBondContact O-N 3.39Å |
| 345 | V | 87.9 | Confident | 75.9 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | K341 S342 L347 F348 I349 | K341-V345 WeakPolarHBondContact O-CG2 3.3Å; K341-V345 PolarHBondContact O-N 3.43Å; K341-V345 VanDerWaalsContact O-N 3.17Å; S342-V345 PolarHBondContact O-N 2.7Å; V345-L347 VanDerWaalsContact C-N 3.34Å; V345-L347 PolarHBondContact O-N 3.45Å; V345-F348 PolarHBondContact O-N 3.19Å; V345-I349 HydrophobicContact CG1-CD1 3.92Å; V345-I349 VanDerWaalsContact O-CG1 3.3Å; V345-I349 WeakPolarHBondContact O-CG1 3.36Å; V345-I349 PolarHBondContact O-N 2.93Å |
| 346 | I | 88.4 | Confident | 78.8 | Confident | 100 Ų | 100 | 104.6 Ų | 104.6 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 175.9 | -66.1 | 164.9 | 0 | 0 | 0 | 111 | S342 L343 I349 Y350 | S342-I346 WeakPolarHBondContact O-CG1 3.4Å; S342-I346 PolarHBondContact O-N 2.98Å; L343-I346 PolarHBondContact O-N 3.41Å; I346-I349 PolarHBondContact O-N 3.44Å; I346-Y350 WeakPolarHBondContact O-CB 3.39Å; I346-Y350 PolarHBondContact O-N 2.9Å |
| 347 | L | 89.6 | Confident | 81.6 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 55% | 0.55 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -41.5 | 176.6 | -176.9 | 63.9 | 0 | 0 | 0 | 112.2 | L343 H344 V345 Y350 L351 | L343-L347 WeakPolarHBondContact O-CB 3.46Å; L343-L347 PolarHBondContact O-N 3.43Å; H344-L347 PolarHBondContact O-N 2.85Å; V345-L347 VanDerWaalsContact C-N 3.34Å; V345-L347 PolarHBondContact O-N 3.45Å; L347-Y350 PolarHBondContact O-N 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.31Å; L347-L351 PolarHBondContact O-N 3.26Å |
| 348 | F | 92.9 | Very high | 84 | Confident | 142 Ų | 142 | 103.4 Ų | 103.4 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -39.9 | 174.5 | -75.8 | -58.5 | 0 | 0 | 0 | 112.4 | H344 V345 L351 F352 | H344-F348 HydrophobicContact CB-CE2 4.39Å; H344-F348 WeakPolarHBondContact O-CD2 3.45Å; H344-F348 PolarHBondContact O-N 3.39Å; V345-F348 PolarHBondContact O-N 3.19Å; F348-L351 PolarHBondContact O-N 2.97Å; F348-F352 VanDerWaalsContact O-CB 3.29Å; F348-F352 WeakPolarHBondContact O-CB 3.4Å; F348-F352 PolarHBondContact O-N 3.15Å |
| 349 | I | 94.3 | Very high | 86.3 | Confident | 95 Ų | 95 | 104.6 Ų | 104.6 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.8 | -68.6 | 164.3 | 0 | 0 | 0 | 110.5 | V345 I346 F352 L353 | V345-I349 HydrophobicContact CG1-CD1 3.92Å; V345-I349 VanDerWaalsContact O-CG1 3.3Å; V345-I349 WeakPolarHBondContact O-CG1 3.36Å; V345-I349 PolarHBondContact O-N 2.93Å; I346-I349 PolarHBondContact O-N 3.44Å; I349-F352 PolarHBondContact O-N 3.14Å; I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 VanDerWaalsContact O-CG 3.31Å; I349-L353 WeakPolarHBondContact O-CG 3.31Å; I349-L353 PolarHBondContact O-N 3.2Å |
| 350 | Y | 93.9 | Very high | 88.5 | Confident | 154 Ų | 154 | 100.9 Ų | 100.9 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 176.6 | -179.9 | -101.2 | 0 | 0 | 0 | 112.1 | I346 L347 F352 L353 V354 | I346-Y350 WeakPolarHBondContact O-CB 3.39Å; I346-Y350 PolarHBondContact O-N 2.9Å; L347-Y350 PolarHBondContact O-N 3.28Å; Y350-F352 VanDerWaalsContact C-N 3.31Å; Y350-F352 PolarHBondContact O-N 2.78Å; Y350-L353 PolarHBondContact O-N 3.09Å; Y350-V354 HydrophobicContact CD1-CG2 4.23Å; Y350-V354 HydrophobicContact CE1-CG2 3.79Å; Y350-V354 HydrophobicContact CE2-CG2 4.11Å; Y350-V354 WeakPolarHBondContact O-CG2 3.44Å; Y350-V354 PolarHBondContact O-N 3.43Å |
| 351 | L | 95 | Very high | 90.5 | Very high | 108 Ų | 108 | 100.3 Ų | 100.3 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 177.3 | -176.6 | 63.3 | 0 | 0 | 0 | 112 | L347 F348 V354 S355 | L347-L351 WeakPolarHBondContact O-CB 3.31Å; L347-L351 PolarHBondContact O-N 3.26Å; F348-L351 PolarHBondContact O-N 2.97Å; L351-V354 PolarHBondContact O-N 3.27Å; L351-S355 VanDerWaalsContact O-CB 3.3Å; L351-S355 WeakPolarHBondContact O-CB 3.34Å; L351-S355 PolarHBondContact O-N 3.16Å |
| 352 | F | 96.3 | Very high | 92.2 | Very high | 133 Ų | 133 | 96.5 Ų | 96.5 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.7 | -42.3 | 175 | -178.4 | -110.3 | 0 | 0 | 0 | 112.3 | F348 I349 Y350 S355 I356 | F348-F352 VanDerWaalsContact O-CB 3.29Å; F348-F352 WeakPolarHBondContact O-CB 3.4Å; F348-F352 PolarHBondContact O-N 3.15Å; I349-F352 PolarHBondContact O-N 3.14Å; Y350-F352 VanDerWaalsContact C-N 3.31Å; Y350-F352 PolarHBondContact O-N 2.78Å; F352-S355 PolarHBondContact O-N 3.05Å; F352-I356 HydrophobicContact CD1-CD1 3.89Å; F352-I356 HydrophobicContact CE1-CD1 3.44Å; F352-I356 VanDerWaalsContact CE1-CD1 3.44Å; F352-I356 HydrophobicContact CE2-CD1 4.27Å; F352-I356 HydrophobicContact CG-CD1 4.49Å; F352-I356 HydrophobicContact CZ-CD1 3.66Å; F352-I356 HydrophobicContact CZ-CG1 4.44Å; F352-I356 WeakPolarHBondContact O-CG1 3.25Å; F352-I356 PolarHBondContact O-N 3.19Å |
| 353 | L | 95.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 100.5 Ų | 100.5 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 175.4 | -71.1 | 170.8 | 0 | 0 | 0 | 112.4 | I349 Y350 I356 L357 | I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 VanDerWaalsContact O-CG 3.31Å; I349-L353 WeakPolarHBondContact O-CG 3.31Å; I349-L353 PolarHBondContact O-N 3.2Å; Y350-L353 PolarHBondContact O-N 3.09Å; L353-I356 PolarHBondContact O-N 2.91Å; L353-L357 WeakPolarHBondContact O-CB 3.4Å; L353-L357 PolarHBondContact O-N 3.43Å |
| 354 | V | 96.5 | Very high | 94 | Very high | 52 Ų | 52 | 99.3 Ų | 99.3 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | Y350 L351 L357 V358 | Y350-V354 HydrophobicContact CD1-CG2 4.23Å; Y350-V354 HydrophobicContact CE1-CG2 3.79Å; Y350-V354 HydrophobicContact CE2-CG2 4.11Å; Y350-V354 WeakPolarHBondContact O-CG2 3.44Å; Y350-V354 PolarHBondContact O-N 3.43Å; L351-V354 PolarHBondContact O-N 3.27Å; V354-L357 PolarHBondContact O-N 2.83Å; V354-V358 HydrophobicContact CG1-CG2 4.46Å; V354-V358 WeakPolarHBondContact O-CG2 3.45Å; V354-V358 PolarHBondContact O-N 2.96Å |
| 355 | S | 96.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.1 | -175 | 0 | 0 | 0 | 0 | 111.9 | L351 F352 L357 V358 L359 | L351-S355 VanDerWaalsContact O-CB 3.3Å; L351-S355 WeakPolarHBondContact O-CB 3.34Å; L351-S355 PolarHBondContact O-N 3.16Å; F352-S355 PolarHBondContact O-N 3.05Å; S355-L357 VanDerWaalsContact C-N 3.33Å; S355-L357 PolarHBondContact O-N 3.2Å; S355-V358 PolarHBondContact O-N 3.32Å; S355-L359 VanDerWaalsContact O-CB 3.31Å; S355-L359 WeakPolarHBondContact O-CB 3.21Å; S355-L359 VanDerWaalsContact O-CG 3.25Å; S355-L359 WeakPolarHBondContact O-CG 3.44Å; S355-L359 PolarHBondContact O-N 3.1Å |
| 356 | I | 96.7 | Very high | 94.7 | Very high | 81 Ų | 81 | 99.5 Ų | 99.5 | 42% | 0.415 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 172.5 | -72.8 | 171.6 | 0 | 0 | 0 | 111.2 | F352 L353 L359 S360 | F352-I356 HydrophobicContact CD1-CD1 3.89Å; F352-I356 HydrophobicContact CE1-CD1 3.44Å; F352-I356 VanDerWaalsContact CE1-CD1 3.44Å; F352-I356 HydrophobicContact CE2-CD1 4.27Å; F352-I356 HydrophobicContact CG-CD1 4.49Å; F352-I356 HydrophobicContact CZ-CD1 3.66Å; F352-I356 HydrophobicContact CZ-CG1 4.44Å; F352-I356 WeakPolarHBondContact O-CG1 3.25Å; F352-I356 PolarHBondContact O-N 3.19Å; L353-I356 PolarHBondContact O-N 2.91Å; I356-L359 PolarHBondContact O-N 2.84Å; I356-S360 VanDerWaalsContact O-CB 3.28Å; I356-S360 WeakPolarHBondContact O-CB 3.28Å; I356-S360 PolarHBondContact O-N 3.5Å; I356-S360 PolarHBondContact O-OG 2.81Å |
| 357 | L | 95.3 | Very high | 94.9 | Very high | 117 Ų | 117 | 100 Ų | 100 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 179.6 | -174.4 | 63.4 | 0 | 0 | 0 | 111.2 | L353 V354 S355 S360 S361 | L353-L357 WeakPolarHBondContact O-CB 3.4Å; L353-L357 PolarHBondContact O-N 3.43Å; V354-L357 PolarHBondContact O-N 2.83Å; S355-L357 VanDerWaalsContact C-N 3.33Å; S355-L357 PolarHBondContact O-N 3.2Å; L357-S360 PolarHBondContact O-N 3.33Å; L357-S360 PolarHBondContact O-OG 2.77Å; L357-S361 WeakPolarHBondContact O-CB 3.41Å; L357-S361 PolarHBondContact O-N 3.3Å |
| 358 | V | 96.9 | Very high | 95 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | V354 S355 S360 S361 C362 | V354-V358 HydrophobicContact CG1-CG2 4.46Å; V354-V358 WeakPolarHBondContact O-CG2 3.45Å; V354-V358 PolarHBondContact O-N 2.96Å; S355-V358 PolarHBondContact O-N 3.32Å; V358-S360 VanDerWaalsContact C-N 3.29Å; V358-S360 PolarHBondContact O-N 3.32Å; V358-S361 WeakPolarHBondContact O-CB 3.45Å; V358-S361 PolarHBondContact O-N 2.86Å; V358-S361 VanDerWaalsContact O-N 3.1Å; V358-C362 PolarHBondContact O-N 2.82Å; V358-C362 PolarHBondContact O-SG 3.41Å |
| 359 | L | 95.8 | Very high | 95 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.6 | -39.6 | 176.6 | -74.4 | 167.6 | 0 | 0 | 0 | 112.2 | S355 I356 Y363 | S355-L359 VanDerWaalsContact O-CB 3.31Å; S355-L359 WeakPolarHBondContact O-CB 3.21Å; S355-L359 VanDerWaalsContact O-CG 3.25Å; S355-L359 WeakPolarHBondContact O-CG 3.44Å; S355-L359 PolarHBondContact O-N 3.1Å; I356-L359 PolarHBondContact O-N 2.84Å; L359-Y363 VanDerWaalsContact O-CB 3.23Å; L359-Y363 WeakPolarHBondContact O-CB 3.23Å; L359-Y363 PolarHBondContact O-N 3.31Å |
| 360 | S | 95.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 94.1 Ų | 94.1 | 36% | 0.357 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 175.9 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | I356 L357 V358 Y363 M364 | I356-S360 VanDerWaalsContact O-CB 3.28Å; I356-S360 WeakPolarHBondContact O-CB 3.28Å; I356-S360 PolarHBondContact O-N 3.5Å; I356-S360 PolarHBondContact O-OG 2.81Å; L357-S360 PolarHBondContact O-N 3.33Å; L357-S360 PolarHBondContact O-OG 2.77Å; V358-S360 VanDerWaalsContact C-N 3.29Å; V358-S360 PolarHBondContact O-N 3.32Å; S360-Y363 PolarHBondContact O-N 2.85Å; S360-M364 WeakPolarHBondContact O-CB 3.17Å; S360-M364 VanDerWaalsContact O-CG 3.25Å; S360-M364 WeakPolarHBondContact O-CG 3.25Å; S360-M364 PolarHBondContact O-N 2.85Å |
| 361 | S | 96.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 91.8 Ų | 91.8 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | L357 V358 Y363 M364 A365 | L357-S361 WeakPolarHBondContact O-CB 3.41Å; L357-S361 PolarHBondContact O-N 3.3Å; V358-S361 WeakPolarHBondContact O-CB 3.45Å; V358-S361 PolarHBondContact O-N 2.86Å; V358-S361 VanDerWaalsContact O-N 3.1Å; S361-Y363 PolarHBondContact O-N 3.26Å; S361-M364 PolarHBondContact O-N 3.46Å; S361-A365 WeakPolarHBondContact O-CB 3.44Å; S361-A365 PolarHBondContact O-N 2.9Å |
| 362 | C | 95.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 173.6 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | V358 A365 F366 | V358-C362 PolarHBondContact O-N 2.82Å; V358-C362 PolarHBondContact O-SG 3.41Å; C362-A365 PolarHBondContact O-N 2.83Å; C362-F366 WeakPolarHBondContact O-CB 3.41Å; C362-F366 PolarHBondContact O-N 3.49Å |
| 363 | Y | 95.4 | Very high | 93.9 | Very high | 148 Ų | 148 | 91.8 Ų | 91.8 | 58% | 0.58 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 175.1 | 175.6 | -104.2 | 0 | 0 | 0 | 112 | L359 S360 S361 K367 | L359-Y363 VanDerWaalsContact O-CB 3.23Å; L359-Y363 WeakPolarHBondContact O-CB 3.23Å; L359-Y363 PolarHBondContact O-N 3.31Å; S360-Y363 PolarHBondContact O-N 2.85Å; S361-Y363 PolarHBondContact O-N 3.26Å; Y363-K367 HydrophobicContact CE1-CD 4.46Å; Y363-K367 WeakPolarHBondContact O-CB 3.33Å; Y363-K367 PolarHBondContact O-N 3.11Å |
| 364 | M | 94.5 | Very high | 93.4 | Very high | 101 Ų | 101 | 95.6 Ų | 95.6 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.5 | -72.8 | -65.7 | -69.5 | 0 | 0 | 111.8 | S360 S361 K367 I368 | S360-M364 WeakPolarHBondContact O-CB 3.17Å; S360-M364 VanDerWaalsContact O-CG 3.25Å; S360-M364 WeakPolarHBondContact O-CG 3.25Å; S360-M364 PolarHBondContact O-N 2.85Å; S361-M364 PolarHBondContact O-N 3.46Å; M364-K367 PolarHBondContact O-N 3.42Å; M364-I368 WeakPolarHBondContact O-CD1 3.39Å; M364-I368 VanDerWaalsContact O-CG1 3.24Å; M364-I368 WeakPolarHBondContact O-CG1 3.4Å; M364-I368 PolarHBondContact O-N 2.93Å |
| 365 | A | 93.7 | Very high | 92.6 | Very high | 50 Ų | 50 | 97.8 Ų | 97.8 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | S361 C362 K367 I368 V369 | S361-A365 WeakPolarHBondContact O-CB 3.44Å; S361-A365 PolarHBondContact O-N 2.9Å; C362-A365 PolarHBondContact O-N 2.83Å; A365-K367 VanDerWaalsContact C-N 3.31Å; A365-K367 PolarHBondContact O-N 3.34Å; A365-I368 WeakPolarHBondContact O-CB 3.24Å; A365-I368 PolarHBondContact O-N 3.23Å; A365-V369 PolarHBondContact O-N 3.38Å |
| 366 | F | 94.4 | Very high | 91.9 | Very high | 146 Ų | 146 | 99.8 Ų | 99.8 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 173.6 | 176.7 | -97 | 0 | 0 | 0 | 111.8 | C362 I368 V369 A370 | C362-F366 WeakPolarHBondContact O-CB 3.41Å; C362-F366 PolarHBondContact O-N 3.49Å; F366-I368 VanDerWaalsContact C-N 3.33Å; F366-I368 PolarHBondContact O-N 3.49Å; F366-V369 PolarHBondContact O-N 3.17Å; F366-A370 VanDerWaalsContact O-CB 3.27Å; F366-A370 WeakPolarHBondContact O-CB 3.49Å; F366-A370 PolarHBondContact O-N 2.85Å |
| 367 | K | 92.8 | Very high | 91 | Very high | 112 Ų | 112 | 99.5 Ų | 99.5 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -34.7 | 176.1 | -172 | -176 | 177.9 | -168.6 | 0 | 112.1 | Y363 M364 A365 L371 | Y363-K367 HydrophobicContact CE1-CD 4.46Å; Y363-K367 WeakPolarHBondContact O-CB 3.33Å; Y363-K367 PolarHBondContact O-N 3.11Å; M364-K367 PolarHBondContact O-N 3.42Å; A365-K367 VanDerWaalsContact C-N 3.31Å; A365-K367 PolarHBondContact O-N 3.34Å; K367-L371 WeakPolarHBondContact O-CB 3.27Å; K367-L371 PolarHBondContact O-N 2.96Å |
| 368 | I | 91.9 | Very high | 90.1 | Very high | 85 Ų | 85 | 99 Ų | 99 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -54.2 | 172.2 | -72.7 | 161.2 | 0 | 0 | 0 | 109.4 | M364 A365 F366 A370 L371 E372 | M364-I368 WeakPolarHBondContact O-CD1 3.39Å; M364-I368 VanDerWaalsContact O-CG1 3.24Å; M364-I368 WeakPolarHBondContact O-CG1 3.4Å; M364-I368 PolarHBondContact O-N 2.93Å; A365-I368 WeakPolarHBondContact O-CB 3.24Å; A365-I368 PolarHBondContact O-N 3.23Å; F366-I368 VanDerWaalsContact C-N 3.33Å; F366-I368 PolarHBondContact O-N 3.49Å; I368-A370 VanDerWaalsContact C-N 3.29Å; I368-A370 PolarHBondContact O-N 3.18Å; I368-L371 CarbonylContact O-C 3.51Å; I368-L371 WeakPolarHBondContact O-CA 3.48Å; I368-L371 WeakPolarHBondContact O-CB 3.21Å; I368-L371 PolarHBondContact O-N 3.08Å; I368-E372 HydrophobicContact CG2-CG 4.2Å; I368-E372 WeakPolarHBondContact CG2-OE1 3.36Å; I368-E372 WeakPolarHBondContact O-CB 3.49Å; I368-E372 WeakPolarHBondContact O-CG 3.41Å; I368-E372 PolarHBondContact O-N 3.24Å |
| 369 | V | 92.9 | Very high | 88.8 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.5 | -38.6 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | A365 F366 E372 H373 | A365-V369 PolarHBondContact O-N 3.38Å; F366-V369 PolarHBondContact O-N 3.17Å; V369-E372 PolarHBondContact O-N 2.94Å; V369-H373 WeakPolarHBondContact O-CB 3.5Å; V369-H373 PolarHBondContact O-N 3.48Å |
| 370 | A | 88.9 | Confident | 87.5 | Confident | 42 Ų | 42 | 98.4 Ų | 98.4 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -32.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F366 I368 R374 | F366-A370 VanDerWaalsContact O-CB 3.27Å; F366-A370 WeakPolarHBondContact O-CB 3.49Å; F366-A370 PolarHBondContact O-N 2.85Å; I368-A370 VanDerWaalsContact C-N 3.29Å; I368-A370 PolarHBondContact O-N 3.18Å; A370-R374 WeakPolarHBondContact O-CG 3.33Å; A370-R374 PolarHBondContact O-N 3.06Å |
| 371 | L | 89.1 | Confident | 85.9 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.2 | -39.4 | 174.7 | -170.8 | 69.1 | 0 | 0 | 0 | 111.4 | K367 I368 R374 L375 | K367-L371 WeakPolarHBondContact O-CB 3.27Å; K367-L371 PolarHBondContact O-N 2.96Å; I368-L371 CarbonylContact O-C 3.51Å; I368-L371 WeakPolarHBondContact O-CA 3.48Å; I368-L371 WeakPolarHBondContact O-CB 3.21Å; I368-L371 PolarHBondContact O-N 3.08Å; L371-R374 CarbonylContact O-C 3.53Å; L371-R374 PolarHBondContact O-N 2.76Å; L371-L375 HydrophobicContact CG-CD1 4.34Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 PolarHBondContact O-N 2.95Å |
| 372 | E | 90 | Very high | 84.1 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 172.4 | -73 | 170.3 | 167.7 | 0 | 0 | 111.1 | I368 V369 R374 L375 N376 | I368-E372 HydrophobicContact CG2-CG 4.2Å; I368-E372 WeakPolarHBondContact CG2-OE1 3.36Å; I368-E372 WeakPolarHBondContact O-CB 3.49Å; I368-E372 WeakPolarHBondContact O-CG 3.41Å; I368-E372 PolarHBondContact O-N 3.24Å; V369-E372 PolarHBondContact O-N 2.94Å; E372-R374 VanDerWaalsContact C-N 3.33Å; E372-R374 PolarHBondContact O-N 3.11Å; E372-L375 PolarHBondContact O-N 3.41Å; E372-N376 WeakPolarHBondContact O-CB 3.36Å; E372-N376 PolarHBondContact O-N 2.88Å; E372-N376 PolarHBondContact O-OD1 3.23Å |
| 373 | H | 87.4 | Confident | 82.2 | Confident | 142 Ų | 142 | 102.2 Ų | 102.2 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | 175.4 | -170.5 | 64.4 | 0 | 0 | 0 | 112.1 | V369 S377 | V369-H373 WeakPolarHBondContact O-CB 3.5Å; V369-H373 PolarHBondContact O-N 3.48Å; H373-S377 WeakPolarHBondContact O-CB 3.39Å; H373-S377 PolarHBondContact O-N 2.92Å |
| 374 | R | 84.9 | Confident | 80.3 | Confident | 184 Ų | 184 | 99.5 Ų | 99.5 | 69% | 0.694 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.9 | -36.8 | 172.6 | -69.6 | -175.7 | 76.7 | 173.8 | 5.4 | 112.5 | A370 L371 E372 S377 L378 | A370-R374 WeakPolarHBondContact O-CG 3.33Å; A370-R374 PolarHBondContact O-N 3.06Å; L371-R374 CarbonylContact O-C 3.53Å; L371-R374 PolarHBondContact O-N 2.76Å; E372-R374 VanDerWaalsContact C-N 3.33Å; E372-R374 PolarHBondContact O-N 3.11Å; R374-S377 PolarHBondContact O-N 3.36Å; R374-L378 VanDerWaalsContact O-CG 3.28Å; R374-L378 WeakPolarHBondContact O-CG 3.44Å; R374-L378 PolarHBondContact O-N 3.28Å |
| 375 | L | 79.8 | Confident | 78.4 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174 | -93.6 | 161.9 | 0 | 0 | 0 | 111.4 | L371 E372 S377 L378 L379 | L371-L375 HydrophobicContact CG-CD1 4.34Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 PolarHBondContact O-N 2.95Å; E372-L375 PolarHBondContact O-N 3.41Å; L375-S377 VanDerWaalsContact C-N 3.34Å; L375-S377 PolarHBondContact O-N 3.2Å; L375-L378 CarbonylContact O-C 3.51Å; L375-L378 PolarHBondContact O-N 2.89Å; L375-L378 VanDerWaalsContact O-N 3.16Å; L375-L379 VanDerWaalsContact O-CB 3.3Å; L375-L379 WeakPolarHBondContact O-CB 3.5Å; L375-L379 PolarHBondContact O-N 3.19Å |
| 376 | N | 81.9 | Confident | 76.3 | Confident | 98 Ų | 98 | 103 Ų | 103 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.6 | -33.5 | 177.1 | -67.3 | -8.7 | 0 | 0 | 0 | 111.5 | E372 L379 S380 | E372-N376 WeakPolarHBondContact O-CB 3.36Å; E372-N376 PolarHBondContact O-N 2.88Å; E372-N376 PolarHBondContact O-OD1 3.23Å; N376-L379 PolarHBondContact O-N 2.98Å; N376-S380 VanDerWaalsContact O-CB 3.29Å; N376-S380 WeakPolarHBondContact O-CB 3.49Å; N376-S380 PolarHBondContact O-N 3.48Å |
| 377 | S | 78.8 | Confident | 74.1 | Confident | 76 Ų | 76 | 102.7 Ų | 102.7 | 53% | 0.531 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 169.1 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | H373 R374 L375 M381 | H373-S377 WeakPolarHBondContact O-CB 3.39Å; H373-S377 PolarHBondContact O-N 2.92Å; R374-S377 PolarHBondContact O-N 3.36Å; L375-S377 VanDerWaalsContact C-N 3.34Å; L375-S377 PolarHBondContact O-N 3.2Å; S377-M381 WeakPolarHBondContact O-CB 3.43Å; S377-M381 PolarHBondContact O-N 3.45Å; S377-M381 VanDerWaalsContact O-N 3.14Å |
| 378 | L | 75.3 | Confident | 72.1 | Confident | 105 Ų | 105 | 103.8 Ų | 103.8 | 55% | 0.55 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.4 | -33.3 | 174 | -69.7 | 170.6 | 0 | 0 | 0 | 112.5 | R374 L375 M381 G382 | R374-L378 VanDerWaalsContact O-CG 3.28Å; R374-L378 WeakPolarHBondContact O-CG 3.44Å; R374-L378 PolarHBondContact O-N 3.28Å; L375-L378 CarbonylContact O-C 3.51Å; L375-L378 PolarHBondContact O-N 2.89Å; L375-L378 VanDerWaalsContact O-N 3.16Å; L378-M381 HydrophobicContact CD2-CE 3.81Å; L378-M381 PolarHBondContact O-N 3.39Å; L378-G382 PolarHBondContact O-N 3.44Å |
| 379 | L | 70.9 | Confident | 70.2 | Confident | 110 Ų | 110 | 105.8 Ų | 105.8 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.4 | -46.9 | 176.5 | -173.1 | 73 | 0 | 0 | 0 | 110.7 | L375 N376 M381 G382 E383 | L375-L379 VanDerWaalsContact O-CB 3.3Å; L375-L379 WeakPolarHBondContact O-CB 3.5Å; L375-L379 PolarHBondContact O-N 3.19Å; N376-L379 PolarHBondContact O-N 2.98Å; L379-M381 VanDerWaalsContact C-N 3.27Å; L379-M381 PolarHBondContact O-N 2.95Å; L379-G382 CarbonylContact O-C 3.58Å; L379-G382 VanDerWaalsContact O-CA 3.29Å; L379-G382 WeakPolarHBondContact O-CA 3.18Å; L379-G382 PolarHBondContact O-N 3.5Å; L379-E383 PolarHBondContact O-N 3.21Å |
| 380 | S | 67.4 | Low | 68.1 | Low | 73 Ų | 73 | 106.5 Ų | 106.5 | 51% | 0.51 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -34.2 | 174 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | N376 G382 L384 | N376-S380 VanDerWaalsContact O-CB 3.29Å; N376-S380 WeakPolarHBondContact O-CB 3.49Å; N376-S380 PolarHBondContact O-N 3.48Å; S380-G382 VanDerWaalsContact C-N 3.35Å; S380-L384 PolarHBondContact O-N 2.76Å; S380-L384 VanDerWaalsContact O-N 3.11Å |
| 381 | M | 61.7 | Low | 66.4 | Low | 110 Ų | 110 | 107.9 Ų | 107.9 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.9 | -28 | 170.1 | -169.2 | 162.5 | 60.6 | 0 | 0 | 112.5 | S377 L378 L379 L384 V385 | S377-M381 WeakPolarHBondContact O-CB 3.43Å; S377-M381 PolarHBondContact O-N 3.45Å; S377-M381 VanDerWaalsContact O-N 3.14Å; L378-M381 HydrophobicContact CD2-CE 3.81Å; L378-M381 PolarHBondContact O-N 3.39Å; L379-M381 VanDerWaalsContact C-N 3.27Å; L379-M381 PolarHBondContact O-N 2.95Å; M381-L384 PolarHBondContact O-N 3.5Å; M381-V385 VanDerWaalsContact O-CG2 3.31Å; M381-V385 WeakPolarHBondContact O-CG2 3.37Å; M381-V385 PolarHBondContact O-N 3.33Å |
| 382 | G | 59.6 | Low | 64.6 | Low | 34 Ų | 34 | 107.6 Ų | 107.6 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.3 | -45.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | L378 L379 S380 L384 V385 D386 | L378-G382 PolarHBondContact O-N 3.44Å; L379-G382 CarbonylContact O-C 3.58Å; L379-G382 VanDerWaalsContact O-CA 3.29Å; L379-G382 WeakPolarHBondContact O-CA 3.18Å; L379-G382 PolarHBondContact O-N 3.5Å; S380-G382 VanDerWaalsContact C-N 3.35Å; G382-L384 PolarHBondContact O-N 3.05Å; G382-V385 WeakPolarHBondContact O-CB 3.34Å; G382-V385 PolarHBondContact O-N 3.2Å; G382-D386 PolarHBondContact O-N 3.46Å; G382-D386 VanDerWaalsContact O-N 3.17Å |
| 383 | E | 55.3 | Low | 62.9 | Low | 138 Ų | 138 | 109.9 Ų | 109.9 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63 | -29.6 | 173.6 | -69.2 | -179.2 | 115.9 | 0 | 0 | 112.2 | L379 | L379-E383 PolarHBondContact O-N 3.21Å |
| 384 | L | 55 | Low | 61.2 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.4 | -35.5 | 170.5 | -161 | 74 | 0 | 0 | 0 | 112.2 | S380 M381 G382 D386 N387 E388 | S380-L384 PolarHBondContact O-N 2.76Å; S380-L384 VanDerWaalsContact O-N 3.11Å; M381-L384 PolarHBondContact O-N 3.5Å; G382-L384 PolarHBondContact O-N 3.05Å; L384-D386 PolarHBondContact O-N 3.39Å; L384-N387 CarbonylContact O-C 3.56Å; L384-N387 PolarHBondContact O-N 3.13Å; L384-N387 VanDerWaalsContact O-N 3.08Å; L384-E388 PolarHBondContact O-N 2.77Å |
| 385 | V | 53.8 | Low | 59.6 | Low | 78 Ų | 78 | 108.7 Ų | 108.7 | 47% | 0.473 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67 | -32.7 | 178.4 | 163.2 | 0 | 0 | 0 | 0 | 112.7 | M381 G382 N387 N389 | M381-V385 VanDerWaalsContact O-CG2 3.31Å; M381-V385 WeakPolarHBondContact O-CG2 3.37Å; M381-V385 PolarHBondContact O-N 3.33Å; G382-V385 WeakPolarHBondContact O-CB 3.34Å; G382-V385 PolarHBondContact O-N 3.2Å; V385-N387 PolarHBondContact O-N 3.47Å; V385-N389 PolarHBondContact O-N 3.06Å |
| 386 | D | 50.2 | Low | 58.1 | Low | 146 Ų | 146 | 110.3 Ų | 110.3 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -20.5 | 171.5 | -87 | -31.4 | 0 | 0 | 0 | 113 | G382 L384 | G382-D386 PolarHBondContact O-N 3.46Å; G382-D386 VanDerWaalsContact O-N 3.17Å; L384-D386 PolarHBondContact O-N 3.39Å |
| 387 | N | 49 | Very low | 56.9 | Low | 141 Ų | 141 | 110.1 Ų | 110.1 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -25.4 | 179.7 | -154 | 22.1 | 0 | 0 | 0 | 113.5 | L384 V385 | L384-N387 CarbonylContact O-C 3.56Å; L384-N387 PolarHBondContact O-N 3.13Å; L384-N387 VanDerWaalsContact O-N 3.08Å; V385-N387 PolarHBondContact O-N 3.47Å |
| 388 | E | 49.6 | Very low | 55.9 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | trans | -106.4 | 36.9 | 175.2 | -71.6 | -158.1 | 83.8 | 0 | 0 | 113.4 | L384 A390 | L384-E388 PolarHBondContact O-N 2.77Å; E388-A390 PolarHBondContact O-N 3.21Å | ||
| 389 | N | 51.9 | Low | 55.1 | Low | 128 Ų | 128 | 112.1 Ų | 112.1 | 68% | 0.684 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 68.7 | 175.9 | -174.4 | 23.7 | 0 | 0 | 0 | 113.1 | V385 | V385-N389 PolarHBondContact O-N 3.06Š|
| 390 | A | 50.7 | Low | 54.5 | Low | 106 Ų | 106 | 110.5 Ų | 110.5 | 88% | 0.876 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.4 | -30.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E388 | E388-A390 PolarHBondContact O-N 3.21Š|
| 391 | G | 51.7 | Low | 54.5 | Low | 70 Ų | 70 | 110 Ų | 110 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -51.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 392 | S | 51.3 | Low | 54.8 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | -103.2 | 15.6 | -153 | -149.6 | 0 | 0 | 0 | 0 | 116.5 | R394 | S392-R394 PolarHBondContact O-N 3.43Å; S392-R394 VanDerWaalsContact O-N 3.1Å | ||
| 393 | Q | 54.1 | Low | 55.4 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 69% | 0.687 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68 | -15.4 | -169.9 | -159.7 | 171.6 | 81.7 | 0 | 0 | 114.7 | V397 | Q393-V397 WeakPolarHBondContact O-CG2 3.41Å |
| 394 | R | 51.8 | Low | 56.1 | Low | 221 Ų | 221 | 116.3 Ų | 116.3 | 83% | 0.834 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.9 | -39.8 | -170.2 | -164.8 | 170.2 | -174.7 | 143.9 | 1.8 | 114.9 | S392 | S392-R394 PolarHBondContact O-N 3.43Å; S392-R394 VanDerWaalsContact O-N 3.1Å |
| 395 | S | 52.2 | Low | 57.3 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 56% | 0.559 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77.6 | -36.7 | -173.3 | 178.5 | 0 | 0 | 0 | 0 | 113 | V397 E398 | S395-V397 VanDerWaalsContact C-N 3.33Å; S395-V397 PolarHBondContact O-N 3.44Å; S395-E398 PolarHBondContact O-N 2.99Å |
| 396 | Q | 48.8 | Very low | 58.5 | Low | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.1 | -26.1 | -175.6 | -160.8 | 176 | 13.8 | 0 | 0 | 113.1 | N400 | Q396-N400 WeakPolarHBondContact O-CB 3.37Å; Q396-N400 PolarHBondContact O-N 2.95Å; Q396-N400 PolarHBondContact O-ND2 3.25Å |
| 397 | V | 56.9 | Low | 59.9 | Low | 94 Ų | 94 | 114 Ų | 114 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.1 | -38.4 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | Q393 S395 A401 | Q393-V397 WeakPolarHBondContact O-CG2 3.41Å; S395-V397 VanDerWaalsContact C-N 3.33Å; S395-V397 PolarHBondContact O-N 3.44Å; V397-A401 WeakPolarHBondContact O-CB 3.28Å; V397-A401 PolarHBondContact O-N 3.5Å |
| 398 | E | 57.4 | Low | 61.3 | Low | 143 Ų | 143 | 110.8 Ų | 110.8 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.5 | -48 | -174.6 | -163.3 | 156.7 | -148.5 | 0 | 0 | 111.7 | S395 N400 A401 E402 | S395-E398 PolarHBondContact O-N 2.99Å; E398-N400 VanDerWaalsContact C-N 3.35Å; E398-N400 PolarHBondContact O-N 3.43Å; E398-A401 PolarHBondContact O-N 2.76Å; E398-E402 PolarHBondContact O-N 2.96Å; E398-E402 VanDerWaalsContact O-N 3.13Å |
| 399 | V | 58.6 | Low | 63 | Low | 81 Ų | 81 | 107.4 Ų | 107.4 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.2 | -40.6 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | E402 I403 | V399-E402 PolarHBondContact O-N 3.28Å; V399-I403 HydrophobicContact CG1-CD1 4.17Å; V399-I403 WeakPolarHBondContact O-CG1 3.44Å; V399-I403 PolarHBondContact O-N 2.57Å |
| 400 | N | 57.5 | Low | 64.5 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.5 | -41.1 | 177 | -78.7 | -32.3 | 0 | 0 | 0 | 111.9 | Q396 E398 E402 I403 Y404 | Q396-N400 WeakPolarHBondContact O-CB 3.37Å; Q396-N400 PolarHBondContact O-N 2.95Å; Q396-N400 PolarHBondContact O-ND2 3.25Å; E398-N400 VanDerWaalsContact C-N 3.35Å; E398-N400 PolarHBondContact O-N 3.43Å; N400-E402 VanDerWaalsContact C-N 3.31Å; N400-E402 PolarHBondContact O-N 2.98Å; N400-I403 PolarHBondContact O-N 3.17Å; N400-Y404 WeakPolarHBondContact O-CD2 3.3Å; N400-Y404 PolarHBondContact O-N 3.37Å; N400-Y404 VanDerWaalsContact O-N 3.09Å |
| 401 | A | 67.5 | Low | 66.3 | Low | 61 Ų | 61 | 105.6 Ų | 105.6 | 50% | 0.504 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V397 E398 Y404 G405 | V397-A401 WeakPolarHBondContact O-CB 3.28Å; V397-A401 PolarHBondContact O-N 3.5Å; E398-A401 PolarHBondContact O-N 2.76Å; A401-Y404 PolarHBondContact O-N 3.03Å; A401-G405 PolarHBondContact O-N 3.48Å |
| 402 | E | 68.6 | Low | 68.1 | Low | 147 Ų | 147 | 108.1 Ų | 108.1 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 177.6 | -163.9 | 164.4 | -129.6 | 0 | 0 | 112.1 | E398 V399 N400 G405 E406 | E398-E402 PolarHBondContact O-N 2.96Å; E398-E402 VanDerWaalsContact O-N 3.13Å; V399-E402 PolarHBondContact O-N 3.28Å; N400-E402 VanDerWaalsContact C-N 3.31Å; N400-E402 PolarHBondContact O-N 2.98Å; E402-G405 WeakPolarHBondContact O-CA 3.48Å; E402-G405 PolarHBondContact O-N 3.49Å; E402-G405 VanDerWaalsContact O-N 3.15Å; E402-E406 PolarHBondContact O-N 3.47Å |
| 403 | I | 71.4 | Confident | 70 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -45.4 | 175.3 | -66.7 | 166 | 0 | 0 | 0 | 111.6 | V399 N400 G405 E406 L407 | V399-I403 HydrophobicContact CG1-CD1 4.17Å; V399-I403 WeakPolarHBondContact O-CG1 3.44Å; V399-I403 PolarHBondContact O-N 2.57Å; N400-I403 PolarHBondContact O-N 3.17Å; I403-G405 VanDerWaalsContact C-N 3.28Å; I403-G405 PolarHBondContact O-N 3.04Å; I403-E406 PolarHBondContact O-N 3.42Å; I403-L407 VanDerWaalsContact O-CB 3.32Å; I403-L407 WeakPolarHBondContact O-CB 3.46Å; I403-L407 PolarHBondContact O-N 3.05Å |
| 404 | Y | 70.4 | Confident | 71.4 | Confident | 168 Ų | 168 | 107.2 Ų | 107.2 | 66% | 0.659 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.8 | -34.7 | 174.2 | -74.6 | -64.1 | 0 | 0 | 0 | 112 | N400 A401 S408 | N400-Y404 WeakPolarHBondContact O-CD2 3.3Å; N400-Y404 PolarHBondContact O-N 3.37Å; N400-Y404 VanDerWaalsContact O-N 3.09Å; A401-Y404 PolarHBondContact O-N 3.03Å; Y404-S408 WeakPolarHBondContact O-CB 3.29Å; Y404-S408 PolarHBondContact O-N 3.36Å |
| 405 | G | 79.8 | Confident | 73.3 | Confident | 31 Ų | 31 | 100.4 Ų | 100.4 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.7 | -60.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | A401 E402 I403 L407 S408 T409 | A401-G405 PolarHBondContact O-N 3.48Å; E402-G405 WeakPolarHBondContact O-CA 3.48Å; E402-G405 PolarHBondContact O-N 3.49Å; E402-G405 VanDerWaalsContact O-N 3.15Å; I403-G405 VanDerWaalsContact C-N 3.28Å; I403-G405 PolarHBondContact O-N 3.04Å; G405-L407 VanDerWaalsContact C-N 3.34Å; G405-L407 PolarHBondContact O-N 3.03Å; G405-S408 PolarHBondContact O-N 2.89Å; G405-S408 PolarHBondContact O-OG 3.13Å; G405-T409 PolarHBondContact O-N 2.69Å |
| 406 | E | 78.5 | Confident | 75.1 | Confident | 133 Ų | 133 | 102.2 Ų | 102.2 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.1 | -46.9 | 179 | -72.3 | -144.9 | 127.7 | 0 | 0 | 112.5 | E402 I403 S408 T409 N410 | E402-E406 PolarHBondContact O-N 3.47Å; I403-E406 PolarHBondContact O-N 3.42Å; E406-S408 VanDerWaalsContact C-N 3.3Å; E406-S408 PolarHBondContact O-N 3.41Å; E406-T409 PolarHBondContact O-N 2.96Å; E406-T409 VanDerWaalsContact O-N 3.13Å; E406-T409 PolarHBondContact O-OG1 2.97Å; E406-N410 PolarHBondContact O-N 3.21Å; E406-N410 PolarHBondContact O-ND2 2.89Å |
| 407 | L | 79.4 | Confident | 77.1 | Confident | 104 Ų | 104 | 100.6 Ų | 100.6 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.9 | -43.6 | 179.5 | -175.4 | 63.3 | 0 | 0 | 0 | 111.4 | I403 G405 T409 N410 L411 | I403-L407 VanDerWaalsContact O-CB 3.32Å; I403-L407 WeakPolarHBondContact O-CB 3.46Å; I403-L407 PolarHBondContact O-N 3.05Å; G405-L407 VanDerWaalsContact C-N 3.34Å; G405-L407 PolarHBondContact O-N 3.03Å; L407-T409 PolarHBondContact O-N 2.79Å; L407-N410 PolarHBondContact O-N 2.88Å; L407-L411 WeakPolarHBondContact O-CB 3.39Å; L407-L411 PolarHBondContact O-N 3.42Å |
| 408 | S | 79.5 | Confident | 78.5 | Confident | 72 Ų | 72 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.9 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | Y404 G405 E406 N410 L411 F412 | Y404-S408 WeakPolarHBondContact O-CB 3.29Å; Y404-S408 PolarHBondContact O-N 3.36Å; G405-S408 PolarHBondContact O-N 2.89Å; G405-S408 PolarHBondContact O-OG 3.13Å; E406-S408 VanDerWaalsContact C-N 3.3Å; E406-S408 PolarHBondContact O-N 3.41Å; S408-N410 VanDerWaalsContact C-N 3.31Å; S408-N410 PolarHBondContact O-N 2.74Å; S408-L411 PolarHBondContact O-N 3.44Å; S408-F412 PolarHBondContact O-N 3.24Å |
| 409 | T | 84.7 | Confident | 80 | Confident | 64 Ų | 64 | 100.6 Ų | 100.6 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 177.3 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | G405 E406 L407 K413 | G405-T409 PolarHBondContact O-N 2.69Å; E406-T409 PolarHBondContact O-N 2.96Å; E406-T409 VanDerWaalsContact O-N 3.13Å; E406-T409 PolarHBondContact O-OG1 2.97Å; L407-T409 PolarHBondContact O-N 2.79Å; T409-K413 WeakPolarHBondContact O-CD 3.29Å; T409-K413 WeakPolarHBondContact O-CG 3.44Å; T409-K413 PolarHBondContact O-N 2.89Å; T409-K413 PolarHBondContact OG1-NZ 3.44Å |
| 410 | N | 83.4 | Confident | 81.3 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.1 | -37.6 | -179.2 | -70.7 | -35.3 | 0 | 0 | 0 | 111.7 | E406 L407 S408 K413 L414 | E406-N410 PolarHBondContact O-N 3.21Å; E406-N410 PolarHBondContact O-ND2 2.89Å; L407-N410 PolarHBondContact O-N 2.88Å; S408-N410 VanDerWaalsContact C-N 3.31Å; S408-N410 PolarHBondContact O-N 2.74Å; N410-K413 PolarHBondContact O-N 3.44Å; N410-K413 PolarHBondContact OD1-NZ 3.16Å; N410-L414 WeakPolarHBondContact O-CB 3.31Å; N410-L414 PolarHBondContact O-N 3.35Å |
| 411 | L | 89.6 | Confident | 82.6 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 171.7 | -156.1 | 163.3 | 0 | 0 | 0 | 111.1 | L407 S408 K413 L414 E415 | L407-L411 WeakPolarHBondContact O-CB 3.39Å; L407-L411 PolarHBondContact O-N 3.42Å; S408-L411 PolarHBondContact O-N 3.44Å; L411-K413 PolarHBondContact O-N 3.21Å; L411-L414 WeakPolarHBondContact O-CB 3.46Å; L411-L414 PolarHBondContact O-N 3.4Å; L411-L414 VanDerWaalsContact O-N 3.17Å; L411-E415 PolarHBondContact O-N 2.9Å |
| 412 | F | 89.1 | Confident | 83.4 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.9 | -174.6 | -102.4 | 0 | 0 | 0 | 113.6 | S408 L414 E415 K416 | S408-F412 PolarHBondContact O-N 3.24Å; F412-L414 VanDerWaalsContact C-N 3.33Å; F412-L414 PolarHBondContact O-N 2.9Å; F412-E415 PolarHBondContact O-N 3.46Å; F412-K416 WeakPolarHBondContact O-CB 3.32Å; F412-K416 PolarHBondContact O-N 3.13Å |
| 413 | K | 89.7 | Confident | 84.1 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 171.4 | -72.1 | 161.1 | -164.2 | 146.7 | 0 | 110.8 | T409 N410 L411 K416 I417 | T409-K413 WeakPolarHBondContact O-CD 3.29Å; T409-K413 WeakPolarHBondContact O-CG 3.44Å; T409-K413 PolarHBondContact O-N 2.89Å; T409-K413 PolarHBondContact OG1-NZ 3.44Å; N410-K413 PolarHBondContact O-N 3.44Å; N410-K413 PolarHBondContact OD1-NZ 3.16Å; L411-K413 PolarHBondContact O-N 3.21Å; K413-K416 PolarHBondContact O-N 3.47Å; K413-I417 WeakPolarHBondContact O-CG1 3.4Å; K413-I417 PolarHBondContact O-N 3.09Å |
| 414 | L | 85 | Confident | 84.4 | Confident | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | -179.3 | -152.9 | 72.5 | 0 | 0 | 0 | 111.7 | N410 L411 F412 K416 I417 Q418 | N410-L414 WeakPolarHBondContact O-CB 3.31Å; N410-L414 PolarHBondContact O-N 3.35Å; L411-L414 WeakPolarHBondContact O-CB 3.46Å; L411-L414 PolarHBondContact O-N 3.4Å; L411-L414 VanDerWaalsContact O-N 3.17Å; F412-L414 VanDerWaalsContact C-N 3.33Å; F412-L414 PolarHBondContact O-N 2.9Å; L414-K416 VanDerWaalsContact C-N 3.34Å; L414-K416 PolarHBondContact O-N 3.15Å; L414-I417 WeakPolarHBondContact O-CB 3.12Å; L414-I417 PolarHBondContact O-N 3.43Å; L414-Q418 PolarHBondContact O-N 3.11Å |
| 415 | E | 90.1 | Very high | 84.7 | Confident | 78 Ų | 78 | 106.7 Ų | 106.7 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 178.1 | -156.7 | -126.9 | 135.3 | 0 | 0 | 112 | L411 F412 Q418 R419 | L411-E415 PolarHBondContact O-N 2.9Å; F412-E415 PolarHBondContact O-N 3.46Å; E415-Q418 PolarHBondContact O-N 3.34Å; E415-R419 PolarHBondContact O-N 3.48Å; E415-R419 IonicContact OE1-CZ 3.26Å; E415-R419 IonicContact OE1-NE 3.05Å; E415-R419 PolarHBondContact OE1-NE 2.86Å; E415-R419 IonicContact OE1-NH2 2.78Å; E415-R419 PolarHBondContact OE1-NH2 3.38Å; E415-R419 IonicContact OE2-CZ 3.41Å; E415-R419 IonicContact OE2-NH2 2.65Å; E415-R419 PolarHBondContact OE2-NH2 3.14Å |
| 416 | K | 90.1 | Very high | 84.7 | Confident | 119 Ų | 119 | 112.5 Ų | 112.5 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 173.6 | -170.6 | 177 | -177.7 | 178.7 | 0 | 112.6 | F412 K413 L414 N420 | F412-K416 WeakPolarHBondContact O-CB 3.32Å; F412-K416 PolarHBondContact O-N 3.13Å; K413-K416 PolarHBondContact O-N 3.47Å; L414-K416 VanDerWaalsContact C-N 3.34Å; L414-K416 PolarHBondContact O-N 3.15Å; K416-N420 PolarHBondContact O-N 2.71Å; K416-N420 VanDerWaalsContact O-N 3.13Å |
| 417 | I | 91.1 | Very high | 84.1 | Confident | 97 Ų | 97 | 113.8 Ų | 113.8 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -46.1 | 173.5 | -68.7 | 163.1 | 0 | 0 | 0 | 110.1 | K413 L414 R419 N420 L421 | K413-I417 WeakPolarHBondContact O-CG1 3.4Å; K413-I417 PolarHBondContact O-N 3.09Å; L414-I417 WeakPolarHBondContact O-CB 3.12Å; L414-I417 PolarHBondContact O-N 3.43Å; I417-R419 VanDerWaalsContact C-N 3.33Å; I417-R419 PolarHBondContact O-N 3.2Å; I417-N420 PolarHBondContact O-N 3.46Å; I417-L421 HydrophobicContact CG2-CD1 3.87Å; I417-L421 HydrophobicContact CG2-CG 4.32Å; I417-L421 WeakPolarHBondContact O-CG 3.42Å; I417-L421 PolarHBondContact O-N 3.01Å |
| 418 | Q | 86.9 | Confident | 82.5 | Confident | 122 Ų | 122 | 117.2 Ų | 117.2 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59 | -41.4 | 177.3 | -175.2 | 178.9 | -8.2 | 0 | 0 | 112.3 | L414 E415 L421 R422 | L414-Q418 PolarHBondContact O-N 3.11Å; E415-Q418 PolarHBondContact O-N 3.34Å; Q418-L421 PolarHBondContact O-N 2.92Å; Q418-R422 PolarHBondContact O-N 2.98Å |
| 419 | R | 89.1 | Confident | 82.6 | Confident | 114 Ų | 114 | 119.5 Ų | 119.5 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -40 | 174.9 | -78.5 | -171.7 | -98.5 | 119.6 | -8.6 | 113.2 | E415 I417 R422 K423 | E415-R419 PolarHBondContact O-N 3.48Å; E415-R419 IonicContact OE1-CZ 3.26Å; E415-R419 IonicContact OE1-NE 3.05Å; E415-R419 PolarHBondContact OE1-NE 2.86Å; E415-R419 IonicContact OE1-NH2 2.78Å; E415-R419 PolarHBondContact OE1-NH2 3.38Å; E415-R419 IonicContact OE2-CZ 3.41Å; E415-R419 IonicContact OE2-NH2 2.65Å; E415-R419 PolarHBondContact OE2-NH2 3.14Å; I417-R419 VanDerWaalsContact C-N 3.33Å; I417-R419 PolarHBondContact O-N 3.2Å; R419-R422 PolarHBondContact O-N 3.36Å; R419-K423 PolarHBondContact O-N 3.17Å |
| 420 | N | 86.3 | Confident | 82.5 | Confident | 97 Ų | 97 | 122.4 Ų | 122.4 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -40.7 | 174.6 | -79.9 | -7.9 | 0 | 0 | 0 | 112.3 | K416 I417 R422 K423 L424 | K416-N420 PolarHBondContact O-N 2.71Å; K416-N420 VanDerWaalsContact O-N 3.13Å; I417-N420 PolarHBondContact O-N 3.46Å; N420-R422 VanDerWaalsContact C-N 3.34Å; N420-R422 PolarHBondContact O-N 3.42Å; N420-K423 PolarHBondContact O-N 3.01Å; N420-L424 PolarHBondContact O-N 2.85Å; N420-L424 VanDerWaalsContact O-N 3.11Å |
| 421 | L | 85.1 | Confident | 82.5 | Confident | 106 Ų | 106 | 124.8 Ų | 124.8 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.5 | -38.5 | 175.7 | -72.8 | 172.2 | 0 | 0 | 0 | 112 | I417 Q418 L425 | I417-L421 HydrophobicContact CG2-CD1 3.87Å; I417-L421 HydrophobicContact CG2-CG 4.32Å; I417-L421 WeakPolarHBondContact O-CG 3.42Å; I417-L421 PolarHBondContact O-N 3.01Å; Q418-L421 PolarHBondContact O-N 2.92Å; L421-L425 PolarHBondContact O-N 3.06Å |
| 422 | R | 83.2 | Confident | 82 | Confident | 173 Ų | 173 | 125.2 Ų | 125.2 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.2 | -46.2 | 174.1 | -175.6 | 179.1 | -76.6 | -177.4 | -4.5 | 111.6 | Q418 R419 N420 L424 L425 E426 | Q418-R422 PolarHBondContact O-N 2.98Å; R419-R422 PolarHBondContact O-N 3.36Å; N420-R422 VanDerWaalsContact C-N 3.34Å; N420-R422 PolarHBondContact O-N 3.42Å; R422-L424 PolarHBondContact O-N 3Å; R422-L425 WeakPolarHBondContact O-CA 3.44Å; R422-L425 WeakPolarHBondContact O-CB 3.37Å; R422-L425 PolarHBondContact O-N 3.08Å; R422-L425 VanDerWaalsContact O-N 3.08Å; R422-E426 PolarHBondContact O-N 3.49Å |
| 423 | K | 84.1 | Confident | 81.6 | Confident | 135 Ų | 135 | 125.4 Ų | 125.4 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.1 | -46.7 | 177.1 | -77.2 | -165 | 168 | -157.4 | 0 | 112.9 | R419 N420 L425 E426 E427 | R419-K423 PolarHBondContact O-N 3.17Å; N420-K423 PolarHBondContact O-N 3.01Å; K423-L425 PolarHBondContact O-N 3.33Å; K423-E426 PolarHBondContact O-N 3.37Å; K423-E427 PolarHBondContact O-N 2.76Å |
| 424 | L | 77.9 | Confident | 81.1 | Confident | 110 Ų | 110 | 126.6 Ų | 126.6 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61 | -25.4 | 176.9 | -77.3 | 163 | 0 | 0 | 0 | 113.4 | N420 R422 T428 | N420-L424 PolarHBondContact O-N 2.85Å; N420-L424 VanDerWaalsContact O-N 3.11Å; R422-L424 PolarHBondContact O-N 3Å; L424-T428 PolarHBondContact O-OG1 3.1Å; L424-T428 VanDerWaalsContact O-OG1 3.11Å |
| 425 | L | 75.8 | Confident | 80.8 | Confident | 140 Ų | 140 | 127.1 Ų | 127.1 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -7.8 | 175.4 | -118.5 | 165 | 0 | 0 | 0 | 113.7 | L421 R422 K423 | L421-L425 PolarHBondContact O-N 3.06Å; R422-L425 WeakPolarHBondContact O-CA 3.44Å; R422-L425 WeakPolarHBondContact O-CB 3.37Å; R422-L425 PolarHBondContact O-N 3.08Å; R422-L425 VanDerWaalsContact O-N 3.08Å; K423-L425 PolarHBondContact O-N 3.33Å |
| 426 | E | 80.4 | Confident | 80.1 | Confident | 153 Ų | 153 | 130.9 Ų | 130.9 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -10.8 | -176.6 | -159.4 | 158.9 | -151.8 | 0 | 0 | 111.4 | R422 K423 | R422-E426 PolarHBondContact O-N 3.49Å; K423-E426 PolarHBondContact O-N 3.37Å |
| 427 | E | 66.1 | Low | 79.2 | Confident | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | trans | -97.9 | 14.8 | 170 | -66.6 | 179.8 | 149.3 | 0 | 0 | 113.3 | K423 | K423-E427 PolarHBondContact O-N 2.76Š| ||
| 428 | T | 44.6 | Very low | 78.1 | Confident | 176 Ų | 176 | 135.1 Ų | 135.1 | 100% | 1.08 | 65% | 0.651 | S | S | * | * | trans | -126.9 | 0 | -177.9 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | L424 | L424-T428 PolarHBondContact O-OG1 3.1Å; L424-T428 VanDerWaalsContact O-OG1 3.11Å |
Retrieved 428 of 428 residues in 365.1 ms
(Link to these results)