| 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 | 37.6 | Very low | 229 Ų | 229 | 160.5 Ų | 160.5 | 100% | 1.128 | 83% | 0.827 | S | S | * | * | 0 | 103.9 | 0 | -64.6 | 168.2 | 177 | 0 | 0 | 105.1 | |||||
| 2 | F | 33.5 | Very low | 37 | Very low | 196 Ų | 196 | 157.3 Ų | 157.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | 55.7 | 127.1 | 83.3 | -66.6 | -65.7 | 0 | 0 | 0 | 110.9 | |||||
| 3 | Q | 35.1 | Very low | 36.7 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | cis | -155.3 | 149.1 | 20.4 | -158.5 | 160.5 | -4.5 | 0 | 0 | 113.7 | ||||
| 4 | S | 37.8 | Very low | 36.2 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -50.1 | 161.3 | 171.3 | -39.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 5 | S | 42.1 | Very low | 35.8 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -144.6 | 126.8 | 141.3 | -79.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | R | 35.8 | Very low | 35.3 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -139.3 | 132.9 | -171.8 | 169.2 | -176.5 | 173.2 | 170.3 | 1.4 | 106.5 | D8 | R6-D8 IonicContact CZ-OD2 3.88Å; R6-D8 IonicContact NE-OD2 2.67Å; R6-D8 PolarHBondContact NE-OD2 3.49Å; R6-D8 IonicContact NH2-OD1 3.45Å; R6-D8 IonicContact NH2-OD2 2.75Å; R6-D8 PolarHBondContact NH2-OD2 3.14Å | ||
| 7 | L | 39.6 | Very low | 35.3 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -130.1 | 106.2 | 165.5 | -76.8 | 176.8 | 0 | 0 | 0 | 108.7 | ||||
| 8 | D | 35.7 | Very low | 35.1 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 54% | 0.54 | 81% | 0.808 | S | S | . | * | trans | -78.6 | 151.5 | 159.6 | -69.8 | -68.5 | 0 | 0 | 0 | 109.1 | R6 | R6-D8 IonicContact CZ-OD2 3.88Å; R6-D8 IonicContact NE-OD2 2.67Å; R6-D8 PolarHBondContact NE-OD2 3.49Å; R6-D8 IonicContact NH2-OD1 3.45Å; R6-D8 IonicContact NH2-OD2 2.75Å; R6-D8 PolarHBondContact NH2-OD2 3.14Å | ||
| 9 | L | 33.3 | Very low | 35.2 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -164.4 | 134.9 | 130.8 | -103.9 | 159.5 | 0 | 0 | 0 | 110.2 | ||||
| 10 | Q | 34.5 | Very low | 35.1 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -105.3 | -154.1 | -176.9 | -78.7 | -94.3 | -18.7 | 0 | 0 | 109.5 | ||||
| 11 | P | 49.6 | Very low | 35 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | -120.1 | -177.4 | -103.7 | 36.8 | -17.8 | 0 | 0 | 0 | 112.7 | |||||
| 12 | S | 30.5 | Very low | 34.7 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -133.7 | 118.5 | 168.7 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | S | 33.6 | Very low | 34.7 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -114.1 | 134.6 | 177.7 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | F | 30.1 | Very low | 34.4 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -164.1 | 115.4 | 152.7 | -77.9 | -67.4 | 0 | 0 | 0 | 105.5 | ||||
| 15 | T | 30.3 | Very low | 35 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | 89.1 | 145.5 | 49.7 | 62.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 16 | S | 27 | Very low | 34.4 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 80.4 | 106.9 | 178.2 | -131.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 17 | S | 35.4 | Very low | 34.3 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | 70.1 | 117.5 | 56.7 | -54.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 18 | D | 32.4 | Very low | 34.2 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | -164.2 | 160.6 | 110.7 | -91.3 | -18.2 | 0 | 0 | 0 | 112.3 | |||||
| 19 | L | 36.9 | Very low | 34.8 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -142.7 | 121.9 | -166.1 | 176.8 | 157.1 | 0 | 0 | 0 | 108.4 | ||||
| 20 | F | 33.5 | Very low | 34.7 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -153.1 | 133.2 | 165.2 | -97.8 | -70.8 | 0 | 0 | 0 | 112.5 | ||||
| 21 | D | 32.2 | Very low | 34.6 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 162.7 | 169.1 | -67.9 | -71 | 0 | 0 | 0 | 112.8 | ||||
| 22 | L | 30.9 | Very low | 34.1 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | 173.1 | 123.8 | 113.4 | -88.1 | 164.6 | 0 | 0 | 0 | 113.2 | |||||
| 23 | S | 32 | Very low | 33.9 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 60.2 | 126.1 | 135 | -52.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 24 | G | 29.9 | Very low | 33.9 | Very low | 69 Ų | 69 | 141.7 Ų | 141.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -79.5 | -152.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 25 | P | 49.8 | Very low | 33.9 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | -144.2 | -172.7 | 9.2 | 43.6 | -24.4 | 0 | 0 | 0 | 116.9 | ||||
| 26 | S | 30.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 78.3 | 124.9 | 145.6 | -165.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 27 | R | 32.3 | Very low | 34.4 | Very low | 238 Ų | 238 | 142.6 Ų | 142.6 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | -171.4 | 126.5 | 119.1 | -106 | 171.2 | 176.3 | -171.1 | -1.6 | 114 | |||||
| 28 | N | 38.8 | Very low | 34 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -104.8 | 150.3 | 153.9 | -92.5 | -24 | 0 | 0 | 0 | 108.5 | ||||
| 29 | P | 47 | Very low | 34 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | -138.7 | 161.2 | 111.7 | 37.4 | -25.4 | 0 | 0 | 0 | 111.6 | |||||
| 30 | G | 31.6 | Very low | 33.9 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 108.7 | 92.3 | 13.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 31 | L | 33 | Very low | 34.1 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -151.1 | 139.4 | 170.8 | -99.6 | 173.9 | 0 | 0 | 0 | 111.3 | ||||
| 32 | S | 37.8 | Very low | 34.1 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -130 | 146.1 | 178.7 | -50.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 33 | F | 28.1 | Very low | 34.1 | Very low | 204 Ų | 204 | 137.9 Ų | 137.9 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -153.3 | 145.8 | 165.7 | -152.4 | -106.8 | 0 | 0 | 0 | 113.6 | ||||
| 34 | N | 33.8 | Very low | 34.1 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -84 | 175.7 | 178.5 | -67 | -42.3 | 0 | 0 | 0 | 111.1 | ||||
| 35 | G | 29.3 | Very low | 34.3 | Very low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | 162.7 | -167.2 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | Y | 33.3 | Very low | 33.4 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 82.2 | 106.1 | 173.7 | -57.5 | -78.7 | 0 | 0 | 0 | 117.4 | ||||
| 37 | Q | 34.6 | Very low | 33.7 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | 88.8 | 141.7 | 91.4 | -87.5 | -172.2 | -21.9 | 0 | 0 | 113.8 | |||||
| 38 | S | 25.8 | Very low | 33.5 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | cis | -155.8 | 152.4 | 10.8 | -159.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 39 | S | 33.4 | Very low | 33.3 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | 15.3 | 140 | 144.4 | 69.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 40 | L | 34.4 | Very low | 32.3 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | cis | -154.3 | -175.7 | 43.2 | -75.2 | 166.5 | 0 | 0 | 0 | 109.2 | ||||
| 41 | Y | 37.1 | Very low | 32.4 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | cis | -151.4 | -148.9 | 4.7 | -134.9 | -34.9 | 0 | 0 | 0 | 110.8 | ||||
| 42 | D | 33.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -63 | 163.3 | 176 | -80.6 | -93.6 | 0 | 0 | 0 | 115.7 | ||||
| 43 | D | 30.4 | Very low | 32.1 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | cis | -161.8 | 172.9 | 36.8 | -155.3 | -24.1 | 0 | 0 | 0 | 111.9 | ||||
| 44 | G | 32 | Very low | 32.3 | Very low | 59 Ų | 59 | 139.7 Ų | 139.7 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | 108.9 | 31.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 45 | L | 34.7 | Very low | 32.3 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | 57.8 | 126.1 | 149.8 | -64.3 | 173.6 | 0 | 0 | 0 | 123.1 | ||||
| 46 | S | 31.4 | Very low | 32.3 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -85 | 155.4 | 169.1 | 179.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 47 | L | 34.8 | Very low | 32.2 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -58.3 | 146.3 | 158.6 | -66.5 | 120.5 | 0 | 0 | 0 | 111.8 | ||||
| 48 | C | 29.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 136 Ų | 136 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -169 | 127.4 | 142.7 | -115.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 49 | S | 33.4 | Very low | 33.3 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 34.7 | 124.5 | 148.3 | -65.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 50 | G | 26.8 | Very low | 33.2 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -145.5 | 121.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 51 | S | 33.7 | Very low | 33 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -107.8 | 142.9 | -176.2 | 174.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | R | 31.7 | Very low | 32.5 | Very low | 212 Ų | 212 | 141.7 Ų | 141.7 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -163.2 | 108.9 | 159.5 | -125.9 | 167.8 | -102.9 | -124.4 | 1.5 | 116.4 | ||||
| 53 | R | 32.7 | Very low | 32.3 | Very low | 210 Ų | 210 | 139.8 Ų | 139.8 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | 53.5 | 125.9 | 134.8 | -59.1 | 177.1 | -172.7 | -160.5 | -1.6 | 122.4 | ||||
| 54 | V | 32.1 | Very low | 32.3 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | -141.5 | 147 | 125.1 | 174.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 55 | S | 33.3 | Very low | 32.2 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -94.3 | 135 | -176.9 | -52.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 56 | T | 30.3 | Very low | 32.1 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | 80.3 | 110.4 | 85 | -46.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 57 | S | 31.5 | Very low | 32 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -160.1 | 142.9 | 138.5 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 58 | H | 33.8 | Very low | 32 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -114.4 | 176.3 | 178.6 | -78.9 | -61.5 | 0 | 0 | 0 | 108.9 | ||||
| 59 | P | 48.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | cis | -128.1 | 170.1 | 29.3 | 25.7 | -0.2 | 0 | 0 | 0 | 114.9 | ||||
| 60 | V | 33 | Very low | 32 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | cis | 88 | 108.4 | 31.1 | -178.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 61 | E | 30.2 | Very low | 32.3 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -179.6 | 117.6 | 137.7 | -100.1 | 174.9 | -167.1 | 0 | 0 | 107.5 | ||||
| 62 | Y | 26.7 | Very low | 32.2 | Very low | 216 Ų | 216 | 151.9 Ų | 151.9 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | 78.5 | 101.1 | 67.6 | -163.1 | -86.4 | 0 | 0 | 0 | 115.9 | |||||
| 63 | S | 27.6 | Very low | 32.4 | Very low | 91 Ų | 91 | 153.7 Ų | 153.7 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | 170.5 | 130.2 | 117.2 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 64 | S | 30 | Very low | 32.3 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | -68.9 | 156.2 | 164.8 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 65 | Y | 30 | Very low | 32.3 | Very low | 221 Ų | 221 | 146.6 Ų | 146.6 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | 176.1 | 160.6 | 119.9 | -96.3 | -63.4 | 0 | 0 | 0 | 113.2 | |||||
| 66 | R | 32.9 | Very low | 32.3 | Very low | 245 Ų | 245 | 147.5 Ų | 147.5 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | 68.7 | 101.7 | 173.6 | -71.9 | -176.9 | 172.9 | -107.8 | -1.1 | 118.2 | ||||
| 67 | S | 30.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -137.7 | 116 | 140.5 | -171.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 68 | S | 34.2 | Very low | 33 | Very low | 115 Ų | 115 | 152 Ų | 152 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 175.4 | 102.2 | 163.3 | -86.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 69 | R | 33.4 | Very low | 33 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | 168.4 | 123.9 | 121.1 | -94.6 | 174.6 | 168.9 | 164.7 | -2.6 | 112.7 | |||||
| 70 | A | 29.5 | Very low | 32.3 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 31.3 | 126.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 71 | S | 32.1 | Very low | 33.6 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | -160.5 | 154.1 | 98.7 | -164.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 72 | S | 33.3 | Very low | 33.9 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -106.7 | 174.5 | -175.8 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 73 | R | 34.5 | Very low | 34.4 | Very low | 251 Ų | 251 | 147.4 Ų | 147.4 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | 83.2 | 146 | 172.3 | -55 | 169.9 | 148.2 | 158.5 | -7.4 | 113.5 | ||||
| 74 | A | 31.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 150.8 Ų | 150.8 | 74% | 0.744 | 84% | 0.841 | S | S | * | * | cis | -151.2 | 171.4 | 2.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 75 | S | 32 | Very low | 34.8 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | cis | -169.4 | 150.5 | 2.8 | -99.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 76 | S | 32.4 | Very low | 34.9 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -99 | 134.1 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 77 | A | 34.2 | Very low | 35.2 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -146.6 | 128.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | R | 42.4 | Very low | 35.5 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | -95 | 137.3 | 171.2 | -68.9 | 174.2 | 162.3 | -166.3 | -5.7 | 109.2 | ||||
| 79 | T | 33.5 | Very low | 35.5 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 91% | 0.914 | 82% | 0.82 | S | S | * | * | trans | -146 | 152.4 | 152.4 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 80 | S | 35.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -155.2 | 175.7 | 167.6 | 66 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 81 | P | 60.3 | Low | 35.6 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -120.9 | 175.4 | -32.7 | 36.5 | -22.9 | 0 | 0 | 0 | 111.2 | ||||
| 82 | V | 35.3 | Very low | 36 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -152.8 | 147.1 | 151.6 | 79.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 83 | E | 38 | Very low | 36.2 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -89.2 | 148.2 | 177.9 | -53.9 | 172.1 | 139.3 | 0 | 0 | 111.1 | ||||
| 84 | N | 30.2 | Very low | 36.1 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | -156 | 155.7 | 129.7 | -153.4 | -2 | 0 | 0 | 0 | 111.5 | |||||
| 85 | C | 34.9 | Very low | 36.2 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | trans | -87.1 | 161.8 | -171 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 86 | G | 33.2 | Very low | 36.3 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -166.4 | 117.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 87 | S | 39.4 | Very low | 36.3 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | 84.7 | 140.9 | 155 | -142.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 88 | V | 36 | Very low | 36.3 | Very low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -109.2 | 148.9 | -164.1 | -160.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 89 | A | 33.3 | Very low | 35.7 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 166.6 | 123.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 90 | S | 33.6 | Very low | 35.7 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | 156.5 | 114.8 | 117.5 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 91 | F | 32.7 | Very low | 35.8 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -119.6 | 105.9 | 165.4 | 174 | -88.6 | 0 | 0 | 0 | 107.7 | ||||
| 92 | V | 40.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -155.4 | 119.9 | 145.4 | -163 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 93 | R | 36.8 | Very low | 34.6 | Very low | 226 Ų | 226 | 132.5 Ų | 132.5 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -163.6 | 104.5 | 146.9 | -102.1 | 173 | -144.5 | -95.9 | 1.8 | 106 | ||||
| 94 | S | 32.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | 81.8 | 113.4 | 83.6 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 95 | G | 32.7 | Very low | 35.1 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -86.5 | 151.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 96 | V | 34.3 | Very low | 35.3 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -52.4 | 132.4 | 176.4 | 168 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 97 | S | 33.2 | Very low | 35.7 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | 174.4 | 152 | 104 | -138.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 98 | G | 33.5 | Very low | 35.5 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -99.7 | 146.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 99 | S | 30.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -159.9 | 162.9 | 148.7 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 100 | A | 33.5 | Very low | 35.9 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 65% | 0.653 | 81% | 0.811 | S | S | * | * | trans | -94.1 | 166.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 101 | L | 37 | Very low | 36.2 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | 64.4 | 113.4 | 163.5 | -55.5 | 170.4 | 0 | 0 | 0 | 117.3 | ||||
| 102 | S | 30.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | -169 | 171.3 | 99.6 | -159.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 103 | R | 40.6 | Very low | 36.2 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 168.2 | -167.8 | -57 | 167.2 | 172.6 | 156.2 | -4.3 | 113.1 | ||||
| 104 | H | 39.1 | Very low | 36.4 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 81 | 90.3 | 137.3 | -164.9 | -63 | 0 | 0 | 0 | 117.9 | ||||
| 105 | L | 40.8 | Very low | 36.8 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -157.5 | 54.9 | 141.6 | -137.7 | 73.7 | 0 | 0 | 0 | 113 | D107 | L105-D107 PolarHBondContact O-N 2.73Š| ||
| 106 | D | 38.1 | Very low | 37.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -85.4 | 99.1 | 164.1 | -62.4 | -55 | 0 | 0 | 0 | 109 | ||||
| 107 | D | 40.9 | Very low | 37.2 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | 177.4 | 94.4 | 140.9 | -174.3 | 16.3 | 0 | 0 | 0 | 110.6 | L105 T109 | L105-D107 PolarHBondContact O-N 2.73Å; D107-T109 PolarHBondContact OD1-N 2.97Å; D107-T109 PolarHBondContact OD1-OG1 2.94Å | ||
| 108 | I | 36.9 | Very low | 37.8 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -134.5 | 89.4 | 143.1 | -58.9 | -175.9 | 0 | 0 | 0 | 106.6 | I110 | I108-I110 PolarHBondContact O-N 3.37Š| ||
| 109 | T | 38.3 | Very low | 38.3 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 119.5 | 169.5 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | D107 | D107-T109 PolarHBondContact OD1-N 2.97Å; D107-T109 PolarHBondContact OD1-OG1 2.94Å |
| 110 | I | 39.2 | Very low | 38.8 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 129.8 | 173.8 | -60.8 | 175.6 | 0 | 0 | 0 | 108.3 | I108 D112 | I108-I110 PolarHBondContact O-N 3.37Å; I110-D112 PolarHBondContact O-N 3.15Å |
| 111 | P | 40.5 | Very low | 39.1 | Very low | 96 Ų | 96 | 156.7 Ų | 156.7 | 62% | 0.623 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127.8 | 177.4 | -19.7 | 32.3 | 0 | 0 | 0 | 111.9 | F113 | P111-F113 HydrophobicContact CB-CE2 4.05Š|
| 112 | D | 35.4 | Very low | 39.3 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 136.9 | 172.5 | -155.4 | 5.8 | 0 | 0 | 0 | 110.2 | I110 | I110-D112 PolarHBondContact O-N 3.15Š|
| 113 | F | 37 | Very low | 39.9 | Very low | 175 Ų | 175 | 158.8 Ų | 158.8 | 77% | 0.768 | 80% | 0.8 | S | S | * | * | trans | -131.5 | 135.1 | 175.6 | -80.9 | -76.2 | 0 | 0 | 0 | 109.7 | P111 | P111-F113 HydrophobicContact CB-CE2 4.05Š| ||
| 114 | P | 40.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 153.1 | -154.6 | 30 | -37.2 | 0 | 0 | 0 | 114.4 | ||||
| 115 | E | 40.3 | Very low | 40.1 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -50.8 | 135.3 | 163.5 | -63.1 | 172.9 | 128.1 | 0 | 0 | 111.1 | ||||
| 116 | A | 39.4 | Very low | 40.1 | Very low | 100 Ų | 100 | 154 Ų | 154 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -121.5 | 118.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 117 | E | 37.3 | Very low | 39.9 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -65 | 160.8 | -171.9 | -57.3 | -179.4 | 134.3 | 0 | 0 | 114.3 | R119 | E117-R119 PolarHBondContact O-N 3.44Š| ||
| 118 | D | 44.3 | Very low | 39.5 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -44.5 | 124.8 | 156 | -84.6 | -42.7 | 0 | 0 | 0 | 111.7 | ||||
| 119 | R | 44.4 | Very low | 39.2 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | -143 | 117 | 153.8 | -75 | -158.6 | -176.5 | -131.5 | 0 | 112.3 | E117 F121 | E117-R119 PolarHBondContact O-N 3.44Å; R119-F121 HydrophobicContact CB-CD2 4.42Å; R119-F121 HydrophobicContact CB-CE2 4.44Å; R119-F121 PolarHBondContact O-N 2.94Å | ||
| 120 | D | 42.2 | Very low | 39.1 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -52.6 | 133.1 | 161.8 | -57.7 | -66.6 | 0 | 0 | 0 | 111.1 | ||||
| 121 | F | 37.9 | Very low | 39.3 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 80% | 0.803 | 82% | 0.818 | S | S | * | * | trans | -133.9 | 86.3 | 165.3 | -98.3 | -77.2 | 0 | 0 | 0 | 112 | R119 | R119-F121 HydrophobicContact CB-CD2 4.42Å; R119-F121 HydrophobicContact CB-CE2 4.44Å; R119-F121 PolarHBondContact O-N 2.94Å | ||
| 122 | D | 41.6 | Very low | 39.2 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | trans | -75 | 148.3 | 157.1 | -146.3 | -15.5 | 0 | 0 | 0 | 109.8 | ||||
| 123 | K | 43.6 | Very low | 39.3 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 75.1 | 108.5 | -176.9 | -51.8 | 166 | -175.5 | 166.6 | 0 | 116.9 | ||||
| 124 | G | 39.9 | Very low | 39.5 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -89.3 | -171.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 125 | P | 44.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | trans | -120.2 | 155 | 175.7 | 36.5 | -23.6 | 0 | 0 | 0 | 115.5 | ||||
| 126 | R | 40.4 | Very low | 39.5 | Very low | 246 Ų | 246 | 141.3 Ų | 141.3 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | trans | -83.1 | 155.4 | 168.4 | -77 | 172.4 | 162.4 | 154.8 | -6.7 | 111.6 | ||||
| 127 | A | 33.5 | Very low | 39.6 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 59.9 | 112.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 128 | A | 31.3 | Very low | 39.7 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | -175.6 | 97.1 | 113.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 129 | S | 32.7 | Very low | 39.7 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -112.5 | 88.3 | 161.9 | -161.3 | 0 | 0 | 0 | 0 | 108.2 | L131 | S129-L131 PolarHBondContact O-N 3.35Š| ||
| 130 | A | 35.8 | Very low | 39.4 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -86.8 | 90.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 131 | L | 42 | Very low | 39.2 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 125.8 | 163.4 | -73.1 | 177.9 | 0 | 0 | 0 | 109.2 | S129 | S129-L131 PolarHBondContact O-N 3.35Š|
| 132 | T | 38.5 | Very low | 39 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 143.3 | -173.7 | 31.2 | 0 | 0 | 0 | 0 | 112.3 | A134 | T132-A134 PolarHBondContact O-N 2.99Š|
| 133 | A | 38.3 | Very low | 39.2 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 134 | A | 40.4 | Very low | 39.3 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -115.4 | 110.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | T132 L136 | T132-A134 PolarHBondContact O-N 2.99Å; A134-L136 PolarHBondContact O-N 2.86Å | ||
| 135 | T | 40.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -63 | 112.1 | -174.3 | -46.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 136 | L | 41 | Very low | 40.2 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -100.3 | 115.7 | 158.9 | -71.8 | -177.1 | 0 | 0 | 0 | 109.7 | A134 S138 | A134-L136 PolarHBondContact O-N 2.86Å; L136-S138 PolarHBondContact O-N 3.49Å | ||
| 137 | T | 41.7 | Very low | 40.1 | Very low | 111 Ų | 111 | 125 Ų | 125 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | trans | -64.5 | 123.5 | -173.3 | 43.3 | 0 | 0 | 0 | 0 | 112.5 | V139 | T137-V139 PolarHBondContact O-N 3.17Å; T137-V139 VanDerWaalsContact O-N 3.15Å | ||
| 138 | S | 38.2 | Very low | 40.8 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -62.2 | 109.4 | 158.4 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L136 G140 | L136-S138 PolarHBondContact O-N 3.49Å; S138-G140 PolarHBondContact O-N 2.9Å | ||
| 139 | V | 45.2 | Very low | 41.5 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 95.1 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | T137 | T137-V139 PolarHBondContact O-N 3.17Å; T137-V139 VanDerWaalsContact O-N 3.15Å | ||
| 140 | G | 38 | Very low | 41.8 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -96.8 | 142.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S138 | S138-G140 PolarHBondContact O-N 2.9Š| ||
| 141 | G | 37.6 | Very low | 42 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | 94.2 | 130.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 142 | T | 34.5 | Very low | 42 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | cis | -99.6 | 136.6 | 19.9 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | S | 44.6 | Very low | 42.2 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | cis | 50.4 | 81.6 | 33.3 | -161.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 144 | S | 45.7 | Very low | 42.8 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -144.7 | 104.1 | 151.8 | -168 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 145 | R | 48.7 | Very low | 43.5 | Very low | 251 Ų | 251 | 128.5 Ų | 128.5 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -117.2 | 91.7 | 169.7 | -89.9 | -171.7 | 172.8 | -132.9 | 2.2 | 109.3 | ||||
| 146 | R | 55.8 | Low | 44.2 | Very low | 247 Ų | 247 | 129.2 Ų | 129.2 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | 178.2 | 146.5 | 158.8 | -106.7 | 172.2 | 174.1 | -107.2 | 0.4 | 106.2 | ||||
| 147 | G | 37.2 | Very low | 45.3 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | cis | 167.6 | 143.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 148 | S | 50.2 | Low | 46.6 | Very low | 124 Ų | 124 | 124 Ų | 124 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -60.3 | 150.1 | -161.1 | -46.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 149 | G | 45.6 | Very low | 48.5 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -154.3 | 115.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 150 | E | 37.4 | Very low | 50.2 | Low | 170 Ų | 170 | 116 Ų | 116 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -93.6 | 170.3 | -166.1 | -59.2 | 176.9 | 155.2 | 0 | 0 | 113.5 | ||||
| 151 | T | 40.3 | Very low | 52.3 | Low | 134 Ų | 134 | 116.5 Ų | 116.5 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | 79.1 | 88.5 | 159.6 | 64 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 152 | A | 42.8 | Very low | 54.5 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | -179.4 | 64.5 | 139.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 153 | L | 43.3 | Very low | 57 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | 71.7 | 88.2 | 110.6 | -66.1 | 170.9 | 0 | 0 | 0 | 117.7 | V155 | L153-V155 PolarHBondContact O-N 3.34Å; L153-V155 VanDerWaalsContact O-N 3.14Å | |||
| 154 | T | 50.9 | Low | 59.1 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 76.4 | -25.4 | 139.8 | 58.1 | 0 | 0 | 0 | 0 | 122.4 | ||
| 155 | V | 55.1 | Low | 61.2 | Low | 118 Ų | 118 | 119.3 Ų | 119.3 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -81.4 | -39.4 | -177.2 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | L153 A157 | L153-V155 PolarHBondContact O-N 3.34Å; L153-V155 VanDerWaalsContact O-N 3.14Å; V155-A157 PolarHBondContact O-N 3.46Å |
| 156 | D | 54.5 | Low | 63.3 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.2 | -24.1 | -177.4 | -69.3 | -36.6 | 0 | 0 | 0 | 114.1 | G159 S160 | D156-G159 PolarHBondContact O-N 2.9Å; D156-S160 PolarHBondContact O-N 3.36Å |
| 157 | A | 65.3 | Low | 65 | Low | 55 Ų | 55 | 103 Ų | 103 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V155 G159 S160 I161 | V155-A157 PolarHBondContact O-N 3.46Å; A157-G159 VanDerWaalsContact C-N 3.33Å; A157-S160 PolarHBondContact O-N 3.34Å; A157-I161 WeakPolarHBondContact O-CB 3.4Å; A157-I161 WeakPolarHBondContact O-CD1 3.24Å; A157-I161 WeakPolarHBondContact O-CG1 3.44Å; A157-I161 PolarHBondContact O-N 2.98Å |
| 158 | D | 68.8 | Low | 67.7 | Low | 117 Ų | 117 | 104.1 Ų | 104.1 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.3 | -33.5 | 176.6 | -74.8 | -21.5 | 0 | 0 | 0 | 111.9 | R162 | D158-R162 WeakPolarHBondContact O-CB 3.48Å; D158-R162 PolarHBondContact O-N 3.1Å |
| 159 | G | 78.3 | Confident | 69.8 | Low | 23 Ų | 23 | 100.6 Ų | 100.6 | 24% | 0.237 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -61.6 | -51.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D156 A157 I161 R162 E163 | D156-G159 PolarHBondContact O-N 2.9Å; A157-G159 VanDerWaalsContact C-N 3.33Å; G159-I161 PolarHBondContact O-N 2.87Å; G159-R162 WeakPolarHBondContact O-CB 3.48Å; G159-R162 PolarHBondContact O-N 3.39Å; G159-R162 VanDerWaalsContact O-N 3.15Å; G159-E163 PolarHBondContact O-N 3.37Å |
| 160 | S | 79.6 | Confident | 72.2 | Confident | 60 Ų | 60 | 101.8 Ų | 101.8 | 42% | 0.42 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62 | -40 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | D156 A157 R162 E163 I164 | D156-S160 PolarHBondContact O-N 3.36Å; A157-S160 PolarHBondContact O-N 3.34Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 2.67Å; S160-E163 PolarHBondContact O-N 2.76Å; S160-I164 WeakPolarHBondContact O-CB 3.33Å; S160-I164 WeakPolarHBondContact O-CD1 3.44Å; S160-I164 VanDerWaalsContact O-CG1 3.24Å; S160-I164 WeakPolarHBondContact O-CG1 3.48Å; S160-I164 PolarHBondContact O-N 2.73Å |
| 161 | I | 81.4 | Confident | 75 | Confident | 80 Ų | 80 | 98 Ų | 98 | 41% | 0.41 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -37.7 | 175 | -70.4 | 163.2 | 0 | 0 | 0 | 111.2 | A157 G159 K165 | A157-I161 WeakPolarHBondContact O-CB 3.4Å; A157-I161 WeakPolarHBondContact O-CD1 3.24Å; A157-I161 WeakPolarHBondContact O-CG1 3.44Å; A157-I161 PolarHBondContact O-N 2.98Å; G159-I161 PolarHBondContact O-N 2.87Å; I161-K165 HydrophobicContact CG2-CD 4.25Å; I161-K165 VanDerWaalsContact O-CG 3.29Å; I161-K165 WeakPolarHBondContact O-CG 3.45Å; I161-K165 PolarHBondContact O-N 3.45Å; I161-K165 VanDerWaalsContact O-N 3.1Å |
| 162 | R | 85.5 | Confident | 77.6 | Confident | 121 Ų | 121 | 97.1 Ų | 97.1 | 46% | 0.457 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 174.7 | -177 | -176.5 | 58.3 | 70.8 | 11.3 | 111.3 | D158 G159 S160 I164 K165 E166 | D158-R162 WeakPolarHBondContact O-CB 3.48Å; D158-R162 PolarHBondContact O-N 3.1Å; G159-R162 WeakPolarHBondContact O-CB 3.48Å; G159-R162 PolarHBondContact O-N 3.39Å; G159-R162 VanDerWaalsContact O-N 3.15Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 2.67Å; R162-I164 PolarHBondContact O-N 2.94Å; R162-K165 WeakPolarHBondContact O-CB 3.42Å; R162-K165 PolarHBondContact O-N 2.89Å; R162-E166 WeakPolarHBondContact CG-OE1 3.29Å; R162-E166 IonicContact CZ-OE1 3.95Å; R162-E166 IonicContact NH1-OE1 2.73Å; R162-E166 PolarHBondContact NH1-OE1 3.45Å; R162-E166 IonicContact NH1-OE2 2.97Å; R162-E166 PolarHBondContact NH1-OE2 3.05Å; R162-E166 PolarHBondContact O-N 2.82Å |
| 163 | E | 87.1 | Confident | 80.2 | Confident | 115 Ų | 115 | 95.9 Ų | 95.9 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.1 | -73.2 | 172.3 | -173.4 | 0 | 0 | 112.5 | G159 S160 K165 E166 A167 | G159-E163 PolarHBondContact O-N 3.37Å; S160-E163 PolarHBondContact O-N 2.76Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 3.41Å; E163-E166 PolarHBondContact O-N 2.96Å; E163-A167 VanDerWaalsContact O-CB 3.27Å; E163-A167 WeakPolarHBondContact O-CB 3.09Å; E163-A167 PolarHBondContact O-N 3.17Å |
| 164 | I | 88 | Confident | 82.8 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -37.5 | 173.8 | -69.4 | 163.7 | 0 | 0 | 0 | 111 | S160 R162 L168 | S160-I164 WeakPolarHBondContact O-CB 3.33Å; S160-I164 WeakPolarHBondContact O-CD1 3.44Å; S160-I164 VanDerWaalsContact O-CG1 3.24Å; S160-I164 WeakPolarHBondContact O-CG1 3.48Å; S160-I164 PolarHBondContact O-N 2.73Å; R162-I164 PolarHBondContact O-N 2.94Å; I164-L168 VanDerWaalsContact O-CB 3.26Å; I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 PolarHBondContact O-N 2.93Å |
| 165 | K | 89.9 | Confident | 85 | Confident | 139 Ų | 139 | 95.9 Ų | 95.9 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.1 | -40 | 175.1 | -74.1 | 170.6 | 179.8 | 176.5 | 0 | 112.6 | I161 R162 E163 L168 A169 | I161-K165 HydrophobicContact CG2-CD 4.25Å; I161-K165 VanDerWaalsContact O-CG 3.29Å; I161-K165 WeakPolarHBondContact O-CG 3.45Å; I161-K165 PolarHBondContact O-N 3.45Å; I161-K165 VanDerWaalsContact O-N 3.1Å; R162-K165 WeakPolarHBondContact O-CB 3.42Å; R162-K165 PolarHBondContact O-N 2.89Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 3.41Å; K165-L168 PolarHBondContact O-N 3.37Å; K165-A169 WeakPolarHBondContact O-CB 3.27Å; K165-A169 PolarHBondContact O-N 2.92Å |
| 166 | E | 92.7 | Very high | 87 | Confident | 105 Ų | 105 | 96.4 Ų | 96.4 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 174.5 | -76.7 | 167.7 | -164.5 | 0 | 0 | 111 | R162 E163 A169 E170 | R162-E166 WeakPolarHBondContact CG-OE1 3.29Å; R162-E166 IonicContact CZ-OE1 3.95Å; R162-E166 IonicContact NH1-OE1 2.73Å; R162-E166 PolarHBondContact NH1-OE1 3.45Å; R162-E166 IonicContact NH1-OE2 2.97Å; R162-E166 PolarHBondContact NH1-OE2 3.05Å; R162-E166 PolarHBondContact O-N 2.82Å; E163-E166 PolarHBondContact O-N 2.96Å; E166-A169 PolarHBondContact O-N 2.85Å; E166-E170 WeakPolarHBondContact O-CB 3.42Å; E166-E170 PolarHBondContact O-N 3.35Å |
| 167 | A | 92.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E163 E170 V171 | E163-A167 VanDerWaalsContact O-CB 3.27Å; E163-A167 WeakPolarHBondContact O-CB 3.09Å; E163-A167 PolarHBondContact O-N 3.17Å; A167-E170 PolarHBondContact O-N 3.47Å; A167-V171 WeakPolarHBondContact O-CB 3.07Å; A167-V171 VanDerWaalsContact O-CG2 3.3Å; A167-V171 WeakPolarHBondContact O-CG2 3.38Å; A167-V171 PolarHBondContact O-N 3.47Å |
| 168 | L | 93.9 | Very high | 90.7 | Very high | 96 Ų | 96 | 95.6 Ų | 95.6 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 172.7 | 177.8 | 63.1 | 0 | 0 | 0 | 110.7 | I164 K165 E170 V171 E172 | I164-L168 VanDerWaalsContact O-CB 3.26Å; I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 PolarHBondContact O-N 2.93Å; K165-L168 PolarHBondContact O-N 3.37Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 3.21Å; L168-V171 PolarHBondContact O-N 2.94Å; L168-E172 HydrophobicContact CD1-CG 4.39Å; L168-E172 WeakPolarHBondContact O-CB 3.5Å; L168-E172 WeakPolarHBondContact O-CG 3.34Å; L168-E172 PolarHBondContact O-N 3.39Å |
| 169 | A | 94 | Very high | 92.1 | Very high | 50 Ų | 50 | 94.5 Ų | 94.5 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K165 E166 E173 | K165-A169 WeakPolarHBondContact O-CB 3.27Å; K165-A169 PolarHBondContact O-N 2.92Å; E166-A169 PolarHBondContact O-N 2.85Å; A169-E173 WeakPolarHBondContact O-CB 3.22Å; A169-E173 PolarHBondContact O-N 3.11Å |
| 170 | E | 96.1 | Very high | 93 | Very high | 106 Ų | 106 | 97.5 Ų | 97.5 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 175 | -158.3 | -156.8 | 176.8 | 0 | 0 | 111.9 | E166 A167 L168 K174 | E166-E170 WeakPolarHBondContact O-CB 3.42Å; E166-E170 PolarHBondContact O-N 3.35Å; A167-E170 PolarHBondContact O-N 3.47Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 3.21Å; E170-K174 VanDerWaalsContact CD-CE 3.48Å; E170-K174 HydrophobicContact CG-CD 4.45Å; E170-K174 WeakPolarHBondContact O-CB 3.3Å; E170-K174 VanDerWaalsContact O-CG 3.22Å; E170-K174 WeakPolarHBondContact O-CG 3.39Å; E170-K174 PolarHBondContact O-N 3.34Å; E170-K174 WeakPolarHBondContact OE1-CE 3.26Å; E170-K174 IonicContact OE1-NZ 3.14Å; E170-K174 PolarHBondContact OE1-NZ 2.9Å; E170-K174 IonicContact OE2-NZ 3.13Å; E170-K174 PolarHBondContact OE2-NZ 2.97Å |
| 171 | V | 95.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | A167 L168 K174 Y175 | A167-V171 WeakPolarHBondContact O-CB 3.07Å; A167-V171 VanDerWaalsContact O-CG2 3.3Å; A167-V171 WeakPolarHBondContact O-CG2 3.38Å; A167-V171 PolarHBondContact O-N 3.47Å; L168-V171 PolarHBondContact O-N 2.94Å; V171-K174 PolarHBondContact O-N 2.86Å; V171-Y175 WeakPolarHBondContact O-CB 3.41Å; V171-Y175 PolarHBondContact O-N 3.15Å |
| 172 | E | 95.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.4 | -73.9 | 173.8 | 174.1 | 0 | 0 | 111.6 | L168 Y175 R176 | L168-E172 HydrophobicContact CD1-CG 4.39Å; L168-E172 WeakPolarHBondContact O-CB 3.5Å; L168-E172 WeakPolarHBondContact O-CG 3.34Å; L168-E172 PolarHBondContact O-N 3.39Å; E172-Y175 PolarHBondContact O-N 3.38Å; E172-R176 WeakPolarHBondContact O-CB 3.37Å; E172-R176 PolarHBondContact O-N 3.38Å |
| 173 | E | 96.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 94.7 Ų | 94.7 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -36.3 | 177.3 | 176.3 | 58.2 | -168.5 | 0 | 0 | 112.5 | A169 R176 K177 | A169-E173 WeakPolarHBondContact O-CB 3.22Å; A169-E173 PolarHBondContact O-N 3.11Å; E173-R176 VanDerWaalsContact CD-NH2 3.3Å; E173-R176 PolarHBondContact O-N 3.46Å; E173-R176 IonicContact OE1-CZ 3.75Å; E173-R176 IonicContact OE1-NE 3.43Å; E173-R176 IonicContact OE1-NH2 2.67Å; E173-R176 PolarHBondContact OE1-NH2 2.84Å; E173-R176 IonicContact OE2-CZ 2.74Å; E173-R176 VanDerWaalsContact OE2-CZ 3.31Å; E173-R176 IonicContact OE2-NE 2.72Å; E173-R176 PolarHBondContact OE2-NE 2.89Å; E173-R176 IonicContact OE2-NH2 3.77Å; E173-R176 PolarHBondContact OE2-NH2 3.2Å; E173-K177 HydrophobicContact CG-CD 4.5Å; E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 WeakPolarHBondContact O-CG 3.31Å; E173-K177 PolarHBondContact O-N 2.9Å; E173-K177 WeakPolarHBondContact OE1-CE 3.36Å; E173-K177 IonicContact OE1-NZ 2.75Å; E173-K177 PolarHBondContact OE1-NZ 3.44Å |
| 174 | K | 97.3 | Very high | 95.9 | Very high | 107 Ų | 107 | 94.5 Ų | 94.5 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 171.1 | -78 | 167.1 | -175.8 | 165.4 | 0 | 111.3 | E170 V171 K177 A178 | E170-K174 VanDerWaalsContact CD-CE 3.48Å; E170-K174 HydrophobicContact CG-CD 4.45Å; E170-K174 WeakPolarHBondContact O-CB 3.3Å; E170-K174 VanDerWaalsContact O-CG 3.22Å; E170-K174 WeakPolarHBondContact O-CG 3.39Å; E170-K174 PolarHBondContact O-N 3.34Å; E170-K174 WeakPolarHBondContact OE1-CE 3.26Å; E170-K174 IonicContact OE1-NZ 3.14Å; E170-K174 PolarHBondContact OE1-NZ 2.9Å; E170-K174 IonicContact OE2-NZ 3.13Å; E170-K174 PolarHBondContact OE2-NZ 2.97Å; V171-K174 PolarHBondContact O-N 2.86Å; K174-K177 PolarHBondContact O-N 3.4Å; K174-A178 WeakPolarHBondContact O-CB 3.47Å; K174-A178 PolarHBondContact O-N 3.23Å |
| 175 | Y | 97.8 | Very high | 96.4 | Very high | 149 Ų | 149 | 93.9 Ų | 93.9 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 175.9 | 176.7 | -97.3 | 0 | 0 | 0 | 111.7 | V171 E172 K177 A178 M179 | V171-Y175 WeakPolarHBondContact O-CB 3.41Å; V171-Y175 PolarHBondContact O-N 3.15Å; E172-Y175 PolarHBondContact O-N 3.38Å; Y175-K177 PolarHBondContact O-N 3.06Å; Y175-A178 WeakPolarHBondContact O-CB 3.5Å; Y175-A178 PolarHBondContact O-N 3.01Å; Y175-M179 HydrophobicContact CE1-CG 4.04Å; Y175-M179 HydrophobicContact CE2-CE 4.08Å; Y175-M179 HydrophobicContact CE2-CG 4.48Å; Y175-M179 PolarHBondContact O-N 3.41Å; Y175-M179 WeakPolarHBondContact OH-CE 3.43Å |
| 176 | R | 98 | Very high | 96.8 | Very high | 130 Ų | 130 | 90.8 Ų | 90.8 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 176.7 | -164.9 | -169.1 | 65.7 | 73.9 | 4.1 | 111.9 | E172 E173 M179 V180 | E172-R176 WeakPolarHBondContact O-CB 3.37Å; E172-R176 PolarHBondContact O-N 3.38Å; E173-R176 VanDerWaalsContact CD-NH2 3.3Å; E173-R176 PolarHBondContact O-N 3.46Å; E173-R176 IonicContact OE1-CZ 3.75Å; E173-R176 IonicContact OE1-NE 3.43Å; E173-R176 IonicContact OE1-NH2 2.67Å; E173-R176 PolarHBondContact OE1-NH2 2.84Å; E173-R176 IonicContact OE2-CZ 2.74Å; E173-R176 VanDerWaalsContact OE2-CZ 3.31Å; E173-R176 IonicContact OE2-NE 2.72Å; E173-R176 PolarHBondContact OE2-NE 2.89Å; E173-R176 IonicContact OE2-NH2 3.77Å; E173-R176 PolarHBondContact OE2-NH2 3.2Å; R176-M179 PolarHBondContact O-N 2.88Å; R176-V180 WeakPolarHBondContact O-CG2 3.27Å; R176-V180 PolarHBondContact O-N 3.39Å; R176-V180 VanDerWaalsContact O-N 3.11Å |
| 177 | K | 98.1 | Very high | 97 | Very high | 123 Ų | 123 | 91 Ų | 91 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 173.2 | -76.6 | 171.1 | 174.9 | 155.1 | 0 | 112.3 | E173 K174 Y175 M179 V180 S181 | E173-K177 HydrophobicContact CG-CD 4.5Å; E173-K177 WeakPolarHBondContact O-CB 3.41Å; E173-K177 WeakPolarHBondContact O-CG 3.31Å; E173-K177 PolarHBondContact O-N 2.9Å; E173-K177 WeakPolarHBondContact OE1-CE 3.36Å; E173-K177 IonicContact OE1-NZ 2.75Å; E173-K177 PolarHBondContact OE1-NZ 3.44Å; K174-K177 PolarHBondContact O-N 3.4Å; Y175-K177 PolarHBondContact O-N 3.06Å; K177-M179 VanDerWaalsContact C-N 3.33Å; K177-M179 PolarHBondContact O-N 3.45Å; K177-V180 PolarHBondContact O-N 3.04Å; K177-S181 WeakPolarHBondContact O-CB 3.45Å; K177-S181 PolarHBondContact O-N 2.9Å |
| 178 | A | 98.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | K174 Y175 S181 N182 | K174-A178 WeakPolarHBondContact O-CB 3.47Å; K174-A178 PolarHBondContact O-N 3.23Å; Y175-A178 WeakPolarHBondContact O-CB 3.5Å; Y175-A178 PolarHBondContact O-N 3.01Å; A178-S181 PolarHBondContact O-N 3.16Å; A178-N182 VanDerWaalsContact O-CB 3.27Å; A178-N182 WeakPolarHBondContact O-CB 3.41Å; A178-N182 PolarHBondContact O-N 3.26Å |
| 179 | M | 98.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 47% | 0.468 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.6 | -84.1 | -64.2 | -178.8 | 0 | 0 | 113.4 | Y175 R176 K177 N182 A183 | Y175-M179 HydrophobicContact CE1-CG 4.04Å; Y175-M179 HydrophobicContact CE2-CE 4.08Å; Y175-M179 HydrophobicContact CE2-CG 4.48Å; Y175-M179 PolarHBondContact O-N 3.41Å; Y175-M179 WeakPolarHBondContact OH-CE 3.43Å; R176-M179 PolarHBondContact O-N 2.88Å; K177-M179 VanDerWaalsContact C-N 3.33Å; K177-M179 PolarHBondContact O-N 3.45Å; M179-N182 PolarHBondContact O-N 3.46Å; M179-A183 PolarHBondContact O-N 2.92Å |
| 180 | V | 98.2 | Very high | 97.8 | Very high | 86 Ų | 86 | 95.3 Ų | 95.3 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | R176 K177 A183 Q184 | R176-V180 WeakPolarHBondContact O-CG2 3.27Å; R176-V180 PolarHBondContact O-N 3.39Å; R176-V180 VanDerWaalsContact O-N 3.11Å; K177-V180 PolarHBondContact O-N 3.04Å; V180-A183 PolarHBondContact O-N 3.24Å; V180-Q184 PolarHBondContact O-N 2.94Å |
| 181 | S | 98.1 | Very high | 97.9 | Very high | 64 Ų | 64 | 94.7 Ų | 94.7 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.2 | -172 | 0 | 0 | 0 | 0 | 112.3 | K177 A178 Q184 L185 | K177-S181 WeakPolarHBondContact O-CB 3.45Å; K177-S181 PolarHBondContact O-N 2.9Å; A178-S181 PolarHBondContact O-N 3.16Å; S181-Q184 PolarHBondContact O-N 3.37Å; S181-L185 WeakPolarHBondContact O-CG 3.5Å; S181-L185 PolarHBondContact O-N 3.24Å |
| 182 | N | 97.9 | Very high | 98 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 179.2 | -165.1 | 36.7 | 0 | 0 | 0 | 111.7 | A178 M179 Q184 L185 D186 | A178-N182 VanDerWaalsContact O-CB 3.27Å; A178-N182 WeakPolarHBondContact O-CB 3.41Å; A178-N182 PolarHBondContact O-N 3.26Å; M179-N182 PolarHBondContact O-N 3.46Å; N182-Q184 VanDerWaalsContact C-N 3.27Å; N182-Q184 PolarHBondContact O-N 2.96Å; N182-L185 PolarHBondContact O-N 3.31Å; N182-D186 PolarHBondContact O-N 3.4Å |
| 183 | A | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 93.9 Ų | 93.9 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -33.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M179 V180 N187 | M179-A183 PolarHBondContact O-N 2.92Å; V180-A183 PolarHBondContact O-N 3.24Å; A183-N187 PolarHBondContact O-N 3.06Å; A183-N187 PolarHBondContact O-ND2 2.92Å |
| 184 | Q | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -45.3 | 173.3 | -178.3 | 168.9 | -20.2 | 0 | 0 | 111.7 | V180 S181 N182 D186 N187 E188 | V180-Q184 PolarHBondContact O-N 2.94Å; S181-Q184 PolarHBondContact O-N 3.37Å; N182-Q184 VanDerWaalsContact C-N 3.27Å; N182-Q184 PolarHBondContact O-N 2.96Å; Q184-D186 VanDerWaalsContact C-N 3.33Å; Q184-D186 PolarHBondContact O-N 3.28Å; Q184-N187 WeakPolarHBondContact O-CB 3.37Å; Q184-N187 PolarHBondContact O-N 3.07Å; Q184-N187 VanDerWaalsContact O-N 3.16Å; Q184-E188 VanDerWaalsContact CG-OE1 3.31Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.2Å; Q184-E188 PolarHBondContact NE2-OE1 3.33Å; Q184-E188 WeakPolarHBondContact O-CG 3.34Å; Q184-E188 PolarHBondContact O-N 3.39Å |
| 185 | L | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 97.2 Ų | 97.2 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.7 | -70.5 | 172.5 | 0 | 0 | 0 | 112.7 | S181 N182 E188 K189 | S181-L185 WeakPolarHBondContact O-CG 3.5Å; S181-L185 PolarHBondContact O-N 3.24Å; N182-L185 PolarHBondContact O-N 3.31Å; L185-E188 PolarHBondContact O-N 2.9Å; L185-K189 WeakPolarHBondContact O-CB 3.46Å; L185-K189 PolarHBondContact O-N 3.44Å |
| 186 | D | 98.4 | Very high | 98.4 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 174.1 | -86.9 | -31.1 | 0 | 0 | 0 | 112.1 | N182 Q184 N190 | N182-D186 PolarHBondContact O-N 3.4Å; Q184-D186 VanDerWaalsContact C-N 3.33Å; Q184-D186 PolarHBondContact O-N 3.28Å; D186-N190 WeakPolarHBondContact O-CB 3.41Å; D186-N190 PolarHBondContact O-N 3.31Å; D186-N190 PolarHBondContact O-ND2 3.18Å; D186-N190 VanDerWaalsContact O-ND2 3.12Å |
| 187 | N | 98.3 | Very high | 98.4 | Very high | 111 Ų | 111 | 90.5 Ų | 90.5 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 174.1 | -74 | -42.6 | 0 | 0 | 0 | 112.1 | A183 Q184 N190 N191 | A183-N187 PolarHBondContact O-N 3.06Å; A183-N187 PolarHBondContact O-ND2 2.92Å; Q184-N187 WeakPolarHBondContact O-CB 3.37Å; Q184-N187 PolarHBondContact O-N 3.07Å; Q184-N187 VanDerWaalsContact O-N 3.16Å; N187-N190 PolarHBondContact O-N 2.93Å; N187-N191 WeakPolarHBondContact O-CB 3.47Å; N187-N191 PolarHBondContact O-N 3.34Å |
| 188 | E | 98.3 | Very high | 98.4 | Very high | 89 Ų | 89 | 89.2 Ų | 89.2 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.4 | -72.1 | 171.2 | -166.1 | 0 | 0 | 111.3 | Q184 L185 N191 L192 | Q184-E188 VanDerWaalsContact CG-OE1 3.31Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.2Å; Q184-E188 PolarHBondContact NE2-OE1 3.33Å; Q184-E188 WeakPolarHBondContact O-CG 3.34Å; Q184-E188 PolarHBondContact O-N 3.39Å; L185-E188 PolarHBondContact O-N 2.9Å; E188-N191 PolarHBondContact O-N 2.95Å; E188-L192 WeakPolarHBondContact O-CB 3.5Å; E188-L192 WeakPolarHBondContact O-CG 3.41Å; E188-L192 PolarHBondContact O-N 3.42Å |
| 189 | K | 98.4 | Very high | 98.5 | Very high | 132 Ų | 132 | 91.9 Ų | 91.9 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.2 | -46.9 | 172.5 | 174.1 | -173.5 | 170.5 | -169.5 | 0 | 112.1 | L185 L192 M193 | L185-K189 WeakPolarHBondContact O-CB 3.46Å; L185-K189 PolarHBondContact O-N 3.44Å; K189-L192 PolarHBondContact O-N 3.12Å; K189-M193 WeakPolarHBondContact O-CB 3.42Å; K189-M193 PolarHBondContact O-N 3.35Å |
| 190 | N | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 92.5 Ų | 92.5 | 34% | 0.342 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 178.3 | -71.3 | -27.3 | 0 | 0 | 0 | 111.4 | D186 N187 M193 Y194 | D186-N190 WeakPolarHBondContact O-CB 3.41Å; D186-N190 PolarHBondContact O-N 3.31Å; D186-N190 PolarHBondContact O-ND2 3.18Å; D186-N190 VanDerWaalsContact O-ND2 3.12Å; N187-N190 PolarHBondContact O-N 2.93Å; N190-M193 WeakPolarHBondContact O-CB 3.18Å; N190-M193 PolarHBondContact O-N 3.46Å; N190-Y194 WeakPolarHBondContact O-CD2 3.24Å; N190-Y194 PolarHBondContact O-N 3.3Å; N190-Y194 VanDerWaalsContact O-N 3.11Å |
| 191 | N | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 93 Ų | 93 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 175.6 | -172.4 | 7.4 | 0 | 0 | 0 | 111.9 | N187 E188 M193 Y194 Q195 | N187-N191 WeakPolarHBondContact O-CB 3.47Å; N187-N191 PolarHBondContact O-N 3.34Å; E188-N191 PolarHBondContact O-N 2.95Å; N191-M193 VanDerWaalsContact C-N 3.31Å; N191-M193 PolarHBondContact O-N 3.05Å; N191-Y194 PolarHBondContact O-N 3.33Å; N191-Q195 WeakPolarHBondContact O-CG 3.47Å; N191-Q195 PolarHBondContact O-N 2.99Å; N191-Q195 PolarHBondContact OD1-NE2 2.84Å |
| 192 | L | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 92.1 Ų | 92.1 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 176 | -71.6 | 172.5 | 0 | 0 | 0 | 112.5 | E188 K189 Q195 V196 | E188-L192 WeakPolarHBondContact O-CB 3.5Å; E188-L192 WeakPolarHBondContact O-CG 3.41Å; E188-L192 PolarHBondContact O-N 3.42Å; K189-L192 PolarHBondContact O-N 3.12Å; L192-Q195 PolarHBondContact O-N 3.43Å; L192-V196 WeakPolarHBondContact O-CB 3.01Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.3Å |
| 193 | M | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 92.6 Ų | 92.6 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 174.4 | -176.9 | 177.4 | 68.6 | 0 | 0 | 111.3 | K189 N190 N191 Q195 V196 D197 | K189-M193 WeakPolarHBondContact O-CB 3.42Å; K189-M193 PolarHBondContact O-N 3.35Å; N190-M193 WeakPolarHBondContact O-CB 3.18Å; N190-M193 PolarHBondContact O-N 3.46Å; N191-M193 VanDerWaalsContact C-N 3.31Å; N191-M193 PolarHBondContact O-N 3.05Å; M193-Q195 PolarHBondContact O-N 3.35Å; M193-V196 PolarHBondContact O-N 3.31Å; M193-D197 PolarHBondContact O-N 2.87Å |
| 194 | Y | 98.6 | Very high | 98.6 | Very high | 153 Ų | 153 | 95.8 Ų | 95.8 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 176.3 | -66 | -56.1 | 0 | 0 | 0 | 113.1 | N190 N191 D197 T198 | N190-Y194 WeakPolarHBondContact O-CD2 3.24Å; N190-Y194 PolarHBondContact O-N 3.3Å; N190-Y194 VanDerWaalsContact O-N 3.11Å; N191-Y194 PolarHBondContact O-N 3.33Å; Y194-D197 PolarHBondContact O-N 3.18Å; Y194-T198 WeakPolarHBondContact O-CB 3.35Å; Y194-T198 PolarHBondContact O-N 3.33Å; Y194-T198 PolarHBondContact O-OG1 3.12Å |
| 195 | Q | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.5 | -70.6 | 171.9 | 39.8 | 0 | 0 | 111.6 | N191 L192 M193 D197 T198 L199 | N191-Q195 WeakPolarHBondContact O-CG 3.47Å; N191-Q195 PolarHBondContact O-N 2.99Å; N191-Q195 PolarHBondContact OD1-NE2 2.84Å; L192-Q195 PolarHBondContact O-N 3.43Å; M193-Q195 PolarHBondContact O-N 3.35Å; Q195-D197 VanDerWaalsContact C-N 3.34Å; Q195-D197 PolarHBondContact O-N 3.05Å; Q195-T198 PolarHBondContact O-N 2.91Å; Q195-L199 WeakPolarHBondContact O-CB 3.42Å; Q195-L199 VanDerWaalsContact O-CG 3.26Å; Q195-L199 WeakPolarHBondContact O-CG 3.49Å; Q195-L199 PolarHBondContact O-N 3.28Å |
| 196 | V | 98.8 | Very high | 98.5 | Very high | 74 Ų | 74 | 97.6 Ų | 97.6 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.9 | 163.5 | 0 | 0 | 0 | 0 | 111.4 | L192 M193 L199 K200 | L192-V196 WeakPolarHBondContact O-CB 3.01Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.3Å; M193-V196 PolarHBondContact O-N 3.31Å; V196-L199 PolarHBondContact O-N 3.02Å; V196-K200 HydrophobicContact CG1-CD 4.48Å; V196-K200 VanDerWaalsContact CG1-CE 3.48Å; V196-K200 WeakPolarHBondContact O-CG 3.43Å; V196-K200 PolarHBondContact O-N 2.89Å |
| 197 | D | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 99.9 Ų | 99.9 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 179.1 | -66.4 | -24.9 | 0 | 0 | 0 | 111.7 | M193 Y194 Q195 L199 K200 D201 | M193-D197 PolarHBondContact O-N 2.87Å; Y194-D197 PolarHBondContact O-N 3.18Å; Q195-D197 VanDerWaalsContact C-N 3.34Å; Q195-D197 PolarHBondContact O-N 3.05Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.5Å; D197-K200 WeakPolarHBondContact O-CB 3.44Å; D197-K200 PolarHBondContact O-N 3.11Å; D197-K200 VanDerWaalsContact O-N 3.14Å; D197-K200 IonicContact OD1-NZ 2.94Å; D197-K200 PolarHBondContact OD1-NZ 2.82Å; D197-D201 PolarHBondContact O-N 3.42Å |
| 198 | T | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.6 | -41.4 | 172.7 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | Y194 Q195 D201 S202 | Y194-T198 WeakPolarHBondContact O-CB 3.35Å; Y194-T198 PolarHBondContact O-N 3.33Å; Y194-T198 PolarHBondContact O-OG1 3.12Å; Q195-T198 PolarHBondContact O-N 2.91Å; T198-D201 PolarHBondContact O-N 2.92Å; T198-S202 PolarHBondContact O-N 3.4Å; T198-S202 VanDerWaalsContact O-N 3.08Å |
| 199 | L | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -37.1 | 178.6 | -74.4 | 170.7 | 0 | 0 | 0 | 112.5 | Q195 V196 D197 S202 L203 | Q195-L199 WeakPolarHBondContact O-CB 3.42Å; Q195-L199 VanDerWaalsContact O-CG 3.26Å; Q195-L199 WeakPolarHBondContact O-CG 3.49Å; Q195-L199 PolarHBondContact O-N 3.28Å; V196-L199 PolarHBondContact O-N 3.02Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.5Å; L199-S202 WeakPolarHBondContact CA-OG 3.27Å; L199-S202 PolarHBondContact O-N 3.08Å; L199-S202 PolarHBondContact O-OG 3.46Å; L199-L203 WeakPolarHBondContact O-CB 3.31Å; L199-L203 PolarHBondContact O-N 3.17Å |
| 200 | K | 98.8 | Very high | 98.6 | Very high | 108 Ų | 108 | 100.8 Ų | 100.8 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 173.5 | -71.4 | 167.4 | -166 | 156.4 | 0 | 111.6 | V196 D197 L203 M204 | V196-K200 HydrophobicContact CG1-CD 4.48Å; V196-K200 VanDerWaalsContact CG1-CE 3.48Å; V196-K200 WeakPolarHBondContact O-CG 3.43Å; V196-K200 PolarHBondContact O-N 2.89Å; D197-K200 WeakPolarHBondContact O-CB 3.44Å; D197-K200 PolarHBondContact O-N 3.11Å; D197-K200 VanDerWaalsContact O-N 3.14Å; D197-K200 IonicContact OD1-NZ 2.94Å; D197-K200 PolarHBondContact OD1-NZ 2.82Å; K200-L203 PolarHBondContact O-N 2.73Å; K200-M204 PolarHBondContact O-N 2.95Å |
| 201 | D | 98.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 178.4 | -65.7 | -16.9 | 0 | 0 | 0 | 109.9 | D197 T198 L203 M204 E205 | D197-D201 PolarHBondContact O-N 3.42Å; T198-D201 PolarHBondContact O-N 2.92Å; D201-L203 VanDerWaalsContact C-N 3.3Å; D201-L203 PolarHBondContact O-N 3.45Å; D201-M204 WeakPolarHBondContact O-CB 3.49Å; D201-M204 PolarHBondContact O-N 3.29Å; D201-M204 VanDerWaalsContact O-N 3.16Å; D201-E205 PolarHBondContact O-N 2.94Å |
| 202 | S | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 100.1 Ų | 100.1 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -32.1 | 176.1 | 74.2 | 0 | 0 | 0 | 0 | 114.1 | T198 L199 L206 | T198-S202 PolarHBondContact O-N 3.4Å; T198-S202 VanDerWaalsContact O-N 3.08Å; L199-S202 WeakPolarHBondContact CA-OG 3.27Å; L199-S202 PolarHBondContact O-N 3.08Å; L199-S202 PolarHBondContact O-OG 3.46Å; S202-L206 VanDerWaalsContact O-CG 3.28Å; S202-L206 WeakPolarHBondContact O-CG 3.49Å; S202-L206 PolarHBondContact O-N 3.05Å; S202-L206 VanDerWaalsContact O-N 3.12Å |
| 203 | L | 98.4 | Very high | 98.6 | Very high | 95 Ų | 95 | 98.7 Ų | 98.7 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 175.4 | -179.5 | 151.3 | 0 | 0 | 0 | 110.7 | L199 K200 D201 L206 E207 | L199-L203 WeakPolarHBondContact O-CB 3.31Å; L199-L203 PolarHBondContact O-N 3.17Å; K200-L203 PolarHBondContact O-N 2.73Å; D201-L203 VanDerWaalsContact C-N 3.3Å; D201-L203 PolarHBondContact O-N 3.45Å; L203-L206 PolarHBondContact O-N 3.14Å; L203-E207 HydrophobicContact CD2-CG 4.16Å; L203-E207 WeakPolarHBondContact O-CG 3.35Å; L203-E207 PolarHBondContact O-N 3.45Å |
| 204 | M | 98.5 | Very high | 98.6 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 176.7 | -163.5 | -177.7 | -49.4 | 0 | 0 | 111.7 | K200 D201 L206 E207 E208 | K200-M204 PolarHBondContact O-N 2.95Å; D201-M204 WeakPolarHBondContact O-CB 3.49Å; D201-M204 PolarHBondContact O-N 3.29Å; D201-M204 VanDerWaalsContact O-N 3.16Å; M204-L206 PolarHBondContact O-N 3.47Å; M204-E207 PolarHBondContact O-N 3.43Å; M204-E208 PolarHBondContact O-N 3.26Å |
| 205 | E | 98.6 | Very high | 98.6 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 173.4 | -70.4 | 178.6 | 177 | 0 | 0 | 112 | D201 E208 L209 | D201-E205 PolarHBondContact O-N 2.94Å; E205-E208 PolarHBondContact O-N 3.03Å; E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 VanDerWaalsContact O-CG 3.3Å; E205-L209 WeakPolarHBondContact O-CG 3.26Å; E205-L209 PolarHBondContact O-N 2.82Å |
| 206 | L | 98.3 | Very high | 98.6 | Very high | 117 Ų | 117 | 102.2 Ų | 102.2 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.7 | -35.5 | 177.2 | -72.7 | 171.1 | 0 | 0 | 0 | 112.9 | S202 L203 M204 L210 | S202-L206 VanDerWaalsContact O-CG 3.28Å; S202-L206 WeakPolarHBondContact O-CG 3.49Å; S202-L206 PolarHBondContact O-N 3.05Å; S202-L206 VanDerWaalsContact O-N 3.12Å; L203-L206 PolarHBondContact O-N 3.14Å; M204-L206 PolarHBondContact O-N 3.47Å; L206-L210 WeakPolarHBondContact O-CB 3.4Å; L206-L210 PolarHBondContact O-N 3.3Å |
| 207 | E | 98.7 | Very high | 98.5 | Very high | 121 Ų | 121 | 105.6 Ų | 105.6 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 173 | -75.7 | -176.7 | 163.6 | 0 | 0 | 111.7 | L203 M204 L210 S211 | L203-E207 HydrophobicContact CD2-CG 4.16Å; L203-E207 WeakPolarHBondContact O-CG 3.35Å; L203-E207 PolarHBondContact O-N 3.45Å; M204-E207 PolarHBondContact O-N 3.43Å; E207-L210 PolarHBondContact O-N 2.92Å; E207-S211 WeakPolarHBondContact O-CB 3.45Å; E207-S211 PolarHBondContact O-N 3Å |
| 208 | E | 98.6 | Very high | 98.5 | Very high | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -49.6 | 174.6 | -174 | 171.4 | -170 | 0 | 0 | 110.9 | M204 E205 L210 S211 E212 | M204-E208 PolarHBondContact O-N 3.26Å; E205-E208 PolarHBondContact O-N 3.03Å; E208-L210 VanDerWaalsContact C-N 3.32Å; E208-L210 PolarHBondContact O-N 3.16Å; E208-S211 PolarHBondContact O-N 2.93Å; E208-S211 VanDerWaalsContact O-N 3.09Å; E208-S211 PolarHBondContact O-OG 2.68Å; E208-E212 PolarHBondContact O-N 3.03Å |
| 209 | L | 98.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 105.4 Ų | 105.4 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.4 | -39.3 | 176.6 | -72.2 | 171.3 | 0 | 0 | 0 | 112.8 | E205 S213 | E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 VanDerWaalsContact O-CG 3.3Å; E205-L209 WeakPolarHBondContact O-CG 3.26Å; E205-L209 PolarHBondContact O-N 2.82Å; L209-S213 VanDerWaalsContact O-CB 3.3Å; L209-S213 WeakPolarHBondContact O-CB 3.39Å; L209-S213 PolarHBondContact O-N 2.74Å |
| 210 | L | 98.3 | Very high | 98.5 | Very high | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 174.4 | 178.9 | 63.2 | 0 | 0 | 0 | 111.5 | L206 E207 E208 R214 | L206-L210 WeakPolarHBondContact O-CB 3.4Å; L206-L210 PolarHBondContact O-N 3.3Å; E207-L210 PolarHBondContact O-N 2.92Å; E208-L210 VanDerWaalsContact C-N 3.32Å; E208-L210 PolarHBondContact O-N 3.16Å; L210-R214 VanDerWaalsContact O-CG 3.32Å; L210-R214 WeakPolarHBondContact O-CG 3.33Å; L210-R214 PolarHBondContact O-N 3.47Å |
| 211 | S | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 179.1 | 80 | 0 | 0 | 0 | 0 | 112 | E207 E208 R214 R215 | E207-S211 WeakPolarHBondContact O-CB 3.45Å; E207-S211 PolarHBondContact O-N 3Å; E208-S211 PolarHBondContact O-N 2.93Å; E208-S211 VanDerWaalsContact O-N 3.09Å; E208-S211 PolarHBondContact O-OG 2.68Å; S211-R214 PolarHBondContact O-N 3.29Å; S211-R215 PolarHBondContact O-N 2.92Å |
| 212 | E | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 106 Ų | 106 | 34% | 0.341 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.1 | -38.8 | 178.1 | -178.7 | 53.1 | -148.4 | 0 | 0 | 111 | E208 R214 R215 Q216 | E208-E212 PolarHBondContact O-N 3.03Å; E212-R214 VanDerWaalsContact C-N 3.32Å; E212-R214 PolarHBondContact O-N 2.95Å; E212-R215 PolarHBondContact O-N 3.37Å; E212-R215 IonicContact OE2-NH1 3.05Å; E212-Q216 WeakPolarHBondContact O-CB 3.36Å; E212-Q216 VanDerWaalsContact O-CG 3.31Å; E212-Q216 WeakPolarHBondContact O-CG 3.33Å; E212-Q216 PolarHBondContact O-N 3.22Å; E212-Q216 WeakPolarHBondContact OE1-CG 3.43Å; E212-Q216 PolarHBondContact OE1-NE2 3.32Å |
| 213 | S | 98 | Very high | 98.5 | Very high | 73 Ų | 73 | 108.1 Ų | 108.1 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | L209 Y217 | L209-S213 VanDerWaalsContact O-CB 3.3Å; L209-S213 WeakPolarHBondContact O-CB 3.39Å; L209-S213 PolarHBondContact O-N 2.74Å; S213-Y217 PolarHBondContact O-N 2.94Å; S213-Y217 VanDerWaalsContact O-N 3.12Å |
| 214 | R | 98.6 | Very high | 98.5 | Very high | 161 Ų | 161 | 110.1 Ų | 110.1 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -47.4 | 174.7 | -74.7 | 173.3 | -178.7 | -151.7 | 1.7 | 111.1 | L210 S211 E212 Q216 Y217 D218 | L210-R214 VanDerWaalsContact O-CG 3.32Å; L210-R214 WeakPolarHBondContact O-CG 3.33Å; L210-R214 PolarHBondContact O-N 3.47Å; S211-R214 PolarHBondContact O-N 3.29Å; E212-R214 VanDerWaalsContact C-N 3.32Å; E212-R214 PolarHBondContact O-N 2.95Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 3.44Å; R214-Y217 WeakPolarHBondContact O-CB 3.47Å; R214-Y217 PolarHBondContact O-N 3.01Å; R214-Y217 VanDerWaalsContact O-N 3.11Å; R214-D218 PolarHBondContact O-N 3.02Å |
| 215 | R | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 109.6 Ų | 109.6 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.8 | -44.5 | 176.8 | -176.3 | -172.9 | 178.8 | -175.8 | 3.5 | 112.3 | S211 E212 Y217 D218 D219 | S211-R215 PolarHBondContact O-N 2.92Å; E212-R215 PolarHBondContact O-N 3.37Å; E212-R215 IonicContact OE2-NH1 3.05Å; R215-Y217 VanDerWaalsContact C-N 3.32Å; R215-Y217 PolarHBondContact O-N 3.28Å; R215-D218 PolarHBondContact O-N 3.12Å; R215-D219 PolarHBondContact O-N 2.91Å |
| 216 | Q | 98.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 110 Ų | 110 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.4 | -72.4 | 176.1 | 20 | 0 | 0 | 112.2 | E212 R214 K220 | E212-Q216 WeakPolarHBondContact O-CB 3.36Å; E212-Q216 VanDerWaalsContact O-CG 3.31Å; E212-Q216 WeakPolarHBondContact O-CG 3.33Å; E212-Q216 PolarHBondContact O-N 3.22Å; E212-Q216 WeakPolarHBondContact OE1-CG 3.43Å; E212-Q216 PolarHBondContact OE1-NE2 3.32Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 3.44Å; Q216-K220 VanDerWaalsContact O-CG 3.24Å; Q216-K220 WeakPolarHBondContact O-CG 3.42Å; Q216-K220 PolarHBondContact O-N 3.16Å |
| 217 | Y | 98.1 | Very high | 98.5 | Very high | 146 Ų | 146 | 109.5 Ų | 109.5 | 57% | 0.573 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 174 | 176.2 | -100.1 | 0 | 0 | 0 | 111.8 | S213 R214 R215 D219 K220 L221 | S213-Y217 PolarHBondContact O-N 2.94Å; S213-Y217 VanDerWaalsContact O-N 3.12Å; R214-Y217 WeakPolarHBondContact O-CB 3.47Å; R214-Y217 PolarHBondContact O-N 3.01Å; R214-Y217 VanDerWaalsContact O-N 3.11Å; R215-Y217 VanDerWaalsContact C-N 3.32Å; R215-Y217 PolarHBondContact O-N 3.28Å; Y217-D219 VanDerWaalsContact C-N 3.34Å; Y217-D219 PolarHBondContact O-N 2.95Å; Y217-K220 WeakPolarHBondContact O-CB 3.28Å; Y217-K220 PolarHBondContact O-N 3.22Å; Y217-L221 HydrophobicContact CD1-CD1 3.95Å; Y217-L221 HydrophobicContact CD1-CG 4.31Å; Y217-L221 HydrophobicContact CE1-CD1 3.37Å; Y217-L221 HydrophobicContact CE1-CD2 4.46Å; Y217-L221 HydrophobicContact CE1-CG 3.9Å; Y217-L221 HydrophobicContact CE2-CG 4.44Å; Y217-L221 PolarHBondContact O-N 3.21Å |
| 218 | D | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 110.3 Ų | 110.3 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 177.6 | -66.2 | -22.2 | 0 | 0 | 0 | 112.5 | R214 R215 L221 K222 | R214-D218 PolarHBondContact O-N 3.02Å; R215-D218 PolarHBondContact O-N 3.12Å; D218-L221 PolarHBondContact O-N 3.28Å; D218-K222 WeakPolarHBondContact O-CE 3.46Å; D218-K222 WeakPolarHBondContact O-CG 3.38Å; D218-K222 PolarHBondContact O-N 3.48Å; D218-K222 VanDerWaalsContact O-N 3.07Å |
| 219 | D | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 109.9 Ų | 109.9 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 175.9 | -72.8 | -19.2 | 0 | 0 | 0 | 112.1 | R215 Y217 K222 E223 | R215-D219 PolarHBondContact O-N 2.91Å; Y217-D219 VanDerWaalsContact C-N 3.34Å; Y217-D219 PolarHBondContact O-N 2.95Å; D219-K222 IonicContact OD1-NZ 2.76Å; D219-K222 PolarHBondContact OD1-NZ 2.74Å; D219-E223 PolarHBondContact O-N 3.29Å |
| 220 | K | 98.4 | Very high | 98.5 | Very high | 146 Ų | 146 | 106.5 Ų | 106.5 | 64% | 0.635 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.5 | -36.2 | 169.9 | -70.1 | -68.8 | -178.6 | -176.7 | 0 | 112.5 | Q216 Y217 E223 F224 | Q216-K220 VanDerWaalsContact O-CG 3.24Å; Q216-K220 WeakPolarHBondContact O-CG 3.42Å; Q216-K220 PolarHBondContact O-N 3.16Å; Y217-K220 WeakPolarHBondContact O-CB 3.28Å; Y217-K220 PolarHBondContact O-N 3.22Å; K220-E223 PolarHBondContact O-N 3.46Å; K220-F224 WeakPolarHBondContact O-CB 3.41Å; K220-F224 PolarHBondContact O-N 3.32Å |
| 221 | L | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 107.6 Ų | 107.6 | 35% | 0.351 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 173.6 | -77.2 | -179.1 | 0 | 0 | 0 | 111.5 | Y217 D218 E223 F224 E225 | Y217-L221 HydrophobicContact CD1-CD1 3.95Å; Y217-L221 HydrophobicContact CD1-CG 4.31Å; Y217-L221 HydrophobicContact CE1-CD1 3.37Å; Y217-L221 HydrophobicContact CE1-CD2 4.46Å; Y217-L221 HydrophobicContact CE1-CG 3.9Å; Y217-L221 HydrophobicContact CE2-CG 4.44Å; Y217-L221 PolarHBondContact O-N 3.21Å; D218-L221 PolarHBondContact O-N 3.28Å; L221-E223 VanDerWaalsContact C-N 3.31Å; L221-E223 PolarHBondContact O-N 3.04Å; L221-F224 WeakPolarHBondContact O-CB 3.33Å; L221-F224 PolarHBondContact O-N 3.39Å; L221-F224 VanDerWaalsContact O-N 3.15Å; L221-E225 WeakPolarHBondContact O-CG 3.31Å; L221-E225 PolarHBondContact O-N 2.85Å |
| 222 | K | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 108 Ų | 108 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 177 | -66.4 | 163.2 | -153.9 | 159.3 | 0 | 112.1 | D218 D219 E225 R226 | D218-K222 WeakPolarHBondContact O-CE 3.46Å; D218-K222 WeakPolarHBondContact O-CG 3.38Å; D218-K222 PolarHBondContact O-N 3.48Å; D218-K222 VanDerWaalsContact O-N 3.07Å; D219-K222 IonicContact OD1-NZ 2.76Å; D219-K222 PolarHBondContact OD1-NZ 2.74Å; K222-E225 PolarHBondContact O-N 3.29Å; K222-R226 WeakPolarHBondContact O-CB 3.48Å; K222-R226 PolarHBondContact O-N 3.39Å |
| 223 | E | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 108.5 Ų | 108.5 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 177.2 | -179.5 | 58.1 | -166.9 | 0 | 0 | 112.2 | D219 K220 L221 R226 Q227 | D219-E223 PolarHBondContact O-N 3.29Å; K220-E223 PolarHBondContact O-N 3.46Å; L221-E223 VanDerWaalsContact C-N 3.31Å; L221-E223 PolarHBondContact O-N 3.04Å; E223-R226 PolarHBondContact O-N 2.91Å; E223-R226 IonicContact OE1-CZ 2.73Å; E223-R226 IonicContact OE1-NE 2.68Å; E223-R226 PolarHBondContact OE1-NE 2.94Å; E223-R226 IonicContact OE1-NH2 3.92Å; E223-R226 PolarHBondContact OE1-NH2 3.38Å; E223-R226 IonicContact OE2-CZ 3.31Å; E223-R226 IonicContact OE2-NE 3.41Å; E223-R226 PolarHBondContact OE2-NE 3.36Å; E223-R226 IonicContact OE2-NH2 3.74Å; E223-Q227 WeakPolarHBondContact O-CB 3.46Å; E223-Q227 PolarHBondContact O-N 2.9Å |
| 224 | F | 98.2 | Very high | 98.5 | Very high | 136 Ų | 136 | 110.1 Ų | 110.1 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 172.1 | 172.6 | -99.6 | 0 | 0 | 0 | 112 | K220 L221 Q227 K228 | K220-F224 WeakPolarHBondContact O-CB 3.41Å; K220-F224 PolarHBondContact O-N 3.32Å; L221-F224 WeakPolarHBondContact O-CB 3.33Å; L221-F224 PolarHBondContact O-N 3.39Å; L221-F224 VanDerWaalsContact O-N 3.15Å; F224-Q227 PolarHBondContact O-N 3.12Å; F224-K228 WeakPolarHBondContact O-CB 3.15Å; F224-K228 PolarHBondContact O-N 2.99Å |
| 225 | E | 98.7 | Very high | 98.5 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.3 | -71.9 | -177.7 | 158.6 | 0 | 0 | 111.7 | L221 K222 Q227 K228 H229 | L221-E225 WeakPolarHBondContact O-CG 3.31Å; L221-E225 PolarHBondContact O-N 2.85Å; K222-E225 PolarHBondContact O-N 3.29Å; E225-Q227 VanDerWaalsContact C-N 3.27Å; E225-Q227 PolarHBondContact O-N 2.92Å; E225-K228 WeakPolarHBondContact O-CB 3.3Å; E225-K228 PolarHBondContact O-N 3.42Å; E225-K228 VanDerWaalsContact O-N 3.12Å; E225-H229 PolarHBondContact O-CD2 3.29Å; E225-H229 PolarHBondContact O-N 2.82Å |
| 226 | R | 98.4 | Very high | 98.5 | Very high | 137 Ų | 137 | 105.7 Ų | 105.7 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.7 | -43.8 | 174.7 | -166 | -171.3 | 72.6 | 75 | 5.3 | 111.5 | K222 E223 H229 A230 | K222-R226 WeakPolarHBondContact O-CB 3.48Å; K222-R226 PolarHBondContact O-N 3.39Å; E223-R226 PolarHBondContact O-N 2.91Å; E223-R226 IonicContact OE1-CZ 2.73Å; E223-R226 IonicContact OE1-NE 2.68Å; E223-R226 PolarHBondContact OE1-NE 2.94Å; E223-R226 IonicContact OE1-NH2 3.92Å; E223-R226 PolarHBondContact OE1-NH2 3.38Å; E223-R226 IonicContact OE2-CZ 3.31Å; E223-R226 IonicContact OE2-NE 3.41Å; E223-R226 PolarHBondContact OE2-NE 3.36Å; E223-R226 IonicContact OE2-NH2 3.74Å; R226-H229 PolarHBondContact O-N 2.97Å; R226-A230 PolarHBondContact O-N 3.31Å |
| 227 | Q | 98.3 | Very high | 98.5 | Very high | 107 Ų | 107 | 106 Ų | 106 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70 | -36.3 | 177.9 | -170.8 | 62 | 12.8 | 0 | 0 | 112.4 | E223 F224 E225 A230 H231 | E223-Q227 WeakPolarHBondContact O-CB 3.46Å; E223-Q227 PolarHBondContact O-N 2.9Å; F224-Q227 PolarHBondContact O-N 3.12Å; E225-Q227 VanDerWaalsContact C-N 3.27Å; E225-Q227 PolarHBondContact O-N 2.92Å; Q227-A230 PolarHBondContact O-N 2.93Å; Q227-H231 WeakPolarHBondContact O-CB 3.49Å; Q227-H231 PolarHBondContact O-N 2.86Å |
| 228 | K | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 104.8 Ų | 104.8 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 172.7 | -178 | -175.9 | 176.5 | -173.2 | 0 | 111.4 | F224 E225 H231 S232 | F224-K228 WeakPolarHBondContact O-CB 3.15Å; F224-K228 PolarHBondContact O-N 2.99Å; E225-K228 WeakPolarHBondContact O-CB 3.3Å; E225-K228 PolarHBondContact O-N 3.42Å; E225-K228 VanDerWaalsContact O-N 3.12Å; K228-H231 PolarHBondContact O-N 3.44Å; K228-S232 WeakPolarHBondContact O-CB 3.45Å; K228-S232 PolarHBondContact O-N 2.83Å |
| 229 | H | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 104.4 Ų | 104.4 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -46.9 | 173.3 | -72.3 | -64.7 | 0 | 0 | 0 | 111.8 | E225 R226 H231 S232 V233 | E225-H229 PolarHBondContact O-CD2 3.29Å; E225-H229 PolarHBondContact O-N 2.82Å; R226-H229 PolarHBondContact O-N 2.97Å; H229-H231 VanDerWaalsContact C-N 3.35Å; H229-H231 PolarHBondContact O-N 3.06Å; H229-S232 WeakPolarHBondContact O-CB 3.38Å; H229-S232 PolarHBondContact O-N 2.87Å; H229-V233 WeakPolarHBondContact O-CG2 3.3Å; H229-V233 PolarHBondContact O-N 2.96Å |
| 230 | A | 98.6 | Very high | 98.6 | Very high | 47 Ų | 47 | 106.1 Ų | 106.1 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R226 Q227 V233 L234 | R226-A230 PolarHBondContact O-N 3.31Å; Q227-A230 PolarHBondContact O-N 2.93Å; A230-V233 PolarHBondContact O-N 3.12Å; A230-L234 PolarHBondContact O-N 3.47Å |
| 231 | H | 98.4 | Very high | 98.6 | Very high | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.6 | 177.8 | 49.7 | 0 | 0 | 0 | 112 | Q227 K228 H229 V233 L234 Q235 | Q227-H231 WeakPolarHBondContact O-CB 3.49Å; Q227-H231 PolarHBondContact O-N 2.86Å; K228-H231 PolarHBondContact O-N 3.44Å; H229-H231 VanDerWaalsContact C-N 3.35Å; H229-H231 PolarHBondContact O-N 3.06Å; H231-V233 VanDerWaalsContact C-N 3.33Å; H231-V233 PolarHBondContact O-N 3.17Å; H231-L234 PolarHBondContact O-N 3.38Å; H231-Q235 WeakPolarHBondContact O-CB 3.33Å; H231-Q235 PolarHBondContact O-N 3.28Å |
| 232 | S | 98.8 | Very high | 98.6 | Very high | 79 Ų | 79 | 107.4 Ų | 107.4 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 177 | -169.9 | 0 | 0 | 0 | 0 | 112.9 | K228 H229 F236 | K228-S232 WeakPolarHBondContact O-CB 3.45Å; K228-S232 PolarHBondContact O-N 2.83Å; H229-S232 WeakPolarHBondContact O-CB 3.38Å; H229-S232 PolarHBondContact O-N 2.87Å; S232-F236 PolarHBondContact O-N 3.12Å |
| 233 | V | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 105.7 Ų | 105.7 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | H229 A230 H231 Q235 F236 Q237 | H229-V233 WeakPolarHBondContact O-CG2 3.3Å; H229-V233 PolarHBondContact O-N 2.96Å; A230-V233 PolarHBondContact O-N 3.12Å; H231-V233 VanDerWaalsContact C-N 3.33Å; H231-V233 PolarHBondContact O-N 3.17Å; V233-Q235 VanDerWaalsContact C-N 3.32Å; V233-Q235 PolarHBondContact O-N 3.39Å; V233-F236 PolarHBondContact O-N 2.94Å; V233-Q237 WeakPolarHBondContact O-CG 3.31Å; V233-Q237 PolarHBondContact O-N 3.09Å; V233-Q237 VanDerWaalsContact O-N 3.07Å |
| 234 | L | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -34.6 | 179.7 | -171.6 | 63.5 | 0 | 0 | 0 | 112.2 | A230 H231 Q237 F238 | A230-L234 PolarHBondContact O-N 3.47Å; H231-L234 PolarHBondContact O-N 3.38Å; L234-Q237 PolarHBondContact O-N 2.91Å; L234-F238 WeakPolarHBondContact O-CB 3.5Å; L234-F238 PolarHBondContact O-N 3.46Å |
| 235 | Q | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 103 Ų | 103 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 173.8 | -176.8 | 59.8 | 47.1 | 0 | 0 | 111.2 | H231 V233 Q237 F238 D239 | H231-Q235 WeakPolarHBondContact O-CB 3.33Å; H231-Q235 PolarHBondContact O-N 3.28Å; V233-Q235 VanDerWaalsContact C-N 3.32Å; V233-Q235 PolarHBondContact O-N 3.39Å; Q235-Q237 PolarHBondContact O-N 2.72Å; Q235-F238 WeakPolarHBondContact O-CB 3.39Å; Q235-F238 PolarHBondContact O-N 3.06Å; Q235-D239 PolarHBondContact NE2-OD1 2.76Å; Q235-D239 PolarHBondContact NE2-OD2 2.96Å; Q235-D239 PolarHBondContact O-N 3.32Å |
| 236 | F | 98.7 | Very high | 98.6 | Very high | 142 Ų | 142 | 101.9 Ų | 101.9 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 175.6 | -179.7 | -89.7 | 0 | 0 | 0 | 112 | S232 V233 F238 D239 E240 | S232-F236 PolarHBondContact O-N 3.12Å; V233-F236 PolarHBondContact O-N 2.94Å; F236-F238 VanDerWaalsContact C-N 3.32Å; F236-F238 PolarHBondContact O-N 2.96Å; F236-D239 PolarHBondContact O-N 3.49Å; F236-E240 PolarHBondContact O-N 3.39Å |
| 237 | Q | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 100 Ų | 100 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 176.2 | -70.9 | 176.3 | -7.5 | 0 | 0 | 112.5 | V233 L234 Q235 L241 | V233-Q237 WeakPolarHBondContact O-CG 3.31Å; V233-Q237 PolarHBondContact O-N 3.09Å; V233-Q237 VanDerWaalsContact O-N 3.07Å; L234-Q237 PolarHBondContact O-N 2.91Å; Q235-Q237 PolarHBondContact O-N 2.72Å; Q237-L241 WeakPolarHBondContact O-CB 3.36Å; Q237-L241 VanDerWaalsContact O-CG 3.29Å; Q237-L241 WeakPolarHBondContact O-CG 3.43Å; Q237-L241 PolarHBondContact O-N 3.11Å |
| 238 | F | 98.4 | Very high | 98.6 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 53% | 0.531 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.8 | 175.4 | -95.2 | 0 | 0 | 0 | 111.8 | L234 Q235 F236 L241 K242 | L234-F238 WeakPolarHBondContact O-CB 3.5Å; L234-F238 PolarHBondContact O-N 3.46Å; Q235-F238 WeakPolarHBondContact O-CB 3.39Å; Q235-F238 PolarHBondContact O-N 3.06Å; F236-F238 VanDerWaalsContact C-N 3.32Å; F236-F238 PolarHBondContact O-N 2.96Å; F238-L241 PolarHBondContact O-N 3.35Å; F238-K242 HydrophobicContact CE1-CD 4.1Å; F238-K242 WeakPolarHBondContact O-CB 3.32Å; F238-K242 PolarHBondContact O-N 3.04Å |
| 239 | D | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 95.8 Ų | 95.8 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -34.6 | 179.2 | -70.1 | -42.5 | 0 | 0 | 0 | 112.1 | Q235 F236 K242 E243 | Q235-D239 PolarHBondContact NE2-OD1 2.76Å; Q235-D239 PolarHBondContact NE2-OD2 2.96Å; Q235-D239 PolarHBondContact O-N 3.32Å; F236-D239 PolarHBondContact O-N 3.49Å; D239-K242 PolarHBondContact O-N 2.99Å; D239-E243 PolarHBondContact O-N 2.98Å |
| 240 | E | 98.7 | Very high | 98.6 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 171.2 | -177.3 | 175.2 | -156.8 | 0 | 0 | 112.3 | F236 K242 E243 T244 | F236-E240 PolarHBondContact O-N 3.39Å; E240-K242 VanDerWaalsContact C-N 3.28Å; E240-K242 PolarHBondContact O-N 3.29Å; E240-E243 PolarHBondContact O-N 2.84Å; E240-T244 WeakPolarHBondContact O-CG2 3.41Å; E240-T244 PolarHBondContact O-N 3Å; E240-T244 PolarHBondContact O-OG1 3.39Å |
| 241 | L | 98.6 | Very high | 98.6 | Very high | 121 Ų | 121 | 97.4 Ų | 97.4 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -34.6 | 175.6 | -73.6 | 172.4 | 0 | 0 | 0 | 112.3 | Q237 F238 T244 L245 | Q237-L241 WeakPolarHBondContact O-CB 3.36Å; Q237-L241 VanDerWaalsContact O-CG 3.29Å; Q237-L241 WeakPolarHBondContact O-CG 3.43Å; Q237-L241 PolarHBondContact O-N 3.11Å; F238-L241 PolarHBondContact O-N 3.35Å; L241-T244 WeakPolarHBondContact CA-OG1 3.47Å; L241-T244 PolarHBondContact O-OG1 3.07Å; L241-L245 VanDerWaalsContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CB 3.24Å; L241-L245 PolarHBondContact O-N 2.92Å |
| 242 | K | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 96 Ų | 96 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 177 | 179.1 | -177.8 | 172.6 | -169.2 | 0 | 112.4 | F238 D239 E240 K246 | F238-K242 HydrophobicContact CE1-CD 4.1Å; F238-K242 WeakPolarHBondContact O-CB 3.32Å; F238-K242 PolarHBondContact O-N 3.04Å; D239-K242 PolarHBondContact O-N 2.99Å; E240-K242 VanDerWaalsContact C-N 3.28Å; E240-K242 PolarHBondContact O-N 3.29Å; K242-K246 WeakPolarHBondContact O-CB 3.4Å; K242-K246 PolarHBondContact O-N 3.34Å |
| 243 | E | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 95.9 Ų | 95.9 | 38% | 0.383 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.5 | -37.8 | 178.3 | -169.2 | 59.6 | -153.5 | 0 | 0 | 111.8 | D239 E240 K246 Q247 | D239-E243 PolarHBondContact O-N 2.98Å; E240-E243 PolarHBondContact O-N 2.84Å; E243-K246 VanDerWaalsContact CD-NZ 3.3Å; E243-K246 PolarHBondContact O-N 2.86Å; E243-K246 IonicContact OE1-NZ 3.67Å; E243-K246 PolarHBondContact OE1-NZ 3.17Å; E243-K246 IonicContact OE2-NZ 2.67Å; E243-K246 PolarHBondContact OE2-NZ 3.42Å; E243-K246 VanDerWaalsContact OE2-NZ 3.14Å; E243-Q247 WeakPolarHBondContact O-CG 3.48Å; E243-Q247 PolarHBondContact O-N 2.99Å |
| 244 | T | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 97.1 Ų | 97.1 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 173 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | E240 L241 Q247 S248 | E240-T244 WeakPolarHBondContact O-CG2 3.41Å; E240-T244 PolarHBondContact O-N 3Å; E240-T244 PolarHBondContact O-OG1 3.39Å; L241-T244 WeakPolarHBondContact CA-OG1 3.47Å; L241-T244 PolarHBondContact O-OG1 3.07Å; T244-Q247 PolarHBondContact O-N 3.07Å; T244-S248 PolarHBondContact O-N 3.28Å; T244-S248 VanDerWaalsContact O-N 3.11Å |
| 245 | L | 98.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 96 Ų | 96 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 170.3 | 176.5 | 62.5 | 0 | 0 | 0 | 111.1 | L241 Q247 S248 E249 | L241-L245 VanDerWaalsContact O-CB 3.3Å; L241-L245 WeakPolarHBondContact O-CB 3.24Å; L241-L245 PolarHBondContact O-N 2.92Å; L245-Q247 VanDerWaalsContact C-N 3.34Å; L245-Q247 PolarHBondContact O-N 2.94Å; L245-S248 WeakPolarHBondContact O-CA 3.5Å; L245-S248 WeakPolarHBondContact O-CB 3.48Å; L245-S248 PolarHBondContact O-N 3.46Å; L245-S248 PolarHBondContact O-OG 3.32Å; L245-E249 PolarHBondContact O-N 3.34Å |
| 246 | K | 98.8 | Very high | 98.6 | Very high | 87 Ų | 87 | 99.8 Ų | 99.8 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 178.4 | 171.5 | 171.1 | 153.9 | -101.6 | 0 | 112.6 | K242 E243 S248 E249 E250 | K242-K246 WeakPolarHBondContact O-CB 3.4Å; K242-K246 PolarHBondContact O-N 3.34Å; E243-K246 VanDerWaalsContact CD-NZ 3.3Å; E243-K246 PolarHBondContact O-N 2.86Å; E243-K246 IonicContact OE1-NZ 3.67Å; E243-K246 PolarHBondContact OE1-NZ 3.17Å; E243-K246 IonicContact OE2-NZ 2.67Å; E243-K246 PolarHBondContact OE2-NZ 3.42Å; E243-K246 VanDerWaalsContact OE2-NZ 3.14Å; K246-S248 VanDerWaalsContact C-N 3.29Å; K246-S248 PolarHBondContact O-N 2.83Å; K246-E249 PolarHBondContact O-N 3.08Å; K246-E250 WeakPolarHBondContact CE-OE1 3.34Å; K246-E250 IonicContact NZ-OE1 2.69Å; K246-E250 WeakPolarHBondContact O-CG 3.43Å; K246-E250 PolarHBondContact O-N 3.24Å |
| 247 | Q | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 173.4 | -70.2 | 169.4 | 8.4 | 0 | 0 | 112.2 | E243 T244 L245 E250 L251 | E243-Q247 WeakPolarHBondContact O-CG 3.48Å; E243-Q247 PolarHBondContact O-N 2.99Å; T244-Q247 PolarHBondContact O-N 3.07Å; L245-Q247 VanDerWaalsContact C-N 3.34Å; L245-Q247 PolarHBondContact O-N 2.94Å; Q247-E250 PolarHBondContact O-N 2.96Å; Q247-L251 WeakPolarHBondContact O-CG 3.34Å; Q247-L251 PolarHBondContact O-N 3.34Å; Q247-L251 VanDerWaalsContact O-N 3.08Å |
| 248 | S | 98.5 | Very high | 98.6 | Very high | 50 Ų | 50 | 98.5 Ų | 98.5 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68 | -34.8 | 175.8 | 81.3 | 0 | 0 | 0 | 0 | 112.9 | T244 L245 K246 L252 | T244-S248 PolarHBondContact O-N 3.28Å; T244-S248 VanDerWaalsContact O-N 3.11Å; L245-S248 WeakPolarHBondContact O-CA 3.5Å; L245-S248 WeakPolarHBondContact O-CB 3.48Å; L245-S248 PolarHBondContact O-N 3.46Å; L245-S248 PolarHBondContact O-OG 3.32Å; K246-S248 VanDerWaalsContact C-N 3.29Å; K246-S248 PolarHBondContact O-N 2.83Å; S248-L252 WeakPolarHBondContact O-CB 3.37Å; S248-L252 VanDerWaalsContact O-CG 3.31Å; S248-L252 WeakPolarHBondContact O-CG 3.33Å; S248-L252 PolarHBondContact O-N 3.48Å |
| 249 | E | 98.6 | Very high | 98.6 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 174.5 | -67.4 | -178.3 | 157.5 | 0 | 0 | 111.9 | L245 K246 L252 N253 | L245-E249 PolarHBondContact O-N 3.34Å; K246-E249 PolarHBondContact O-N 3.08Å; E249-L252 PolarHBondContact O-N 2.83Å; E249-N253 VanDerWaalsContact O-CG 3.32Å; E249-N253 PolarHBondContact O-N 3.41Å; E249-N253 PolarHBondContact O-ND2 3.41Å |
| 250 | E | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 103.3 Ų | 103.3 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 173.6 | -72.6 | 172.9 | -168 | 0 | 0 | 111.3 | K246 Q247 L252 N253 E254 | K246-E250 WeakPolarHBondContact CE-OE1 3.34Å; K246-E250 IonicContact NZ-OE1 2.69Å; K246-E250 WeakPolarHBondContact O-CG 3.43Å; K246-E250 PolarHBondContact O-N 3.24Å; Q247-E250 PolarHBondContact O-N 2.96Å; E250-L252 PolarHBondContact O-N 2.84Å; E250-N253 WeakPolarHBondContact O-CB 3.44Å; E250-N253 PolarHBondContact O-N 2.88Å; E250-N253 VanDerWaalsContact O-N 3.13Å; E250-E254 PolarHBondContact O-N 3.12Å |
| 251 | L | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 103.3 Ų | 103.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.3 | -70.1 | 171.8 | 0 | 0 | 0 | 112.8 | Q247 N253 E254 I255 | Q247-L251 WeakPolarHBondContact O-CG 3.34Å; Q247-L251 PolarHBondContact O-N 3.34Å; Q247-L251 VanDerWaalsContact O-N 3.08Å; L251-N253 VanDerWaalsContact C-N 3.28Å; L251-N253 PolarHBondContact O-N 3.15Å; L251-E254 PolarHBondContact O-N 2.91Å; L251-I255 WeakPolarHBondContact O-CG1 3.49Å; L251-I255 PolarHBondContact O-N 3.37Å |
| 252 | L | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 103.2 Ų | 103.2 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 174.1 | -78.1 | 169.6 | 0 | 0 | 0 | 112.1 | S248 E249 E250 R256 | S248-L252 WeakPolarHBondContact O-CB 3.37Å; S248-L252 VanDerWaalsContact O-CG 3.31Å; S248-L252 WeakPolarHBondContact O-CG 3.33Å; S248-L252 PolarHBondContact O-N 3.48Å; E249-L252 PolarHBondContact O-N 2.83Å; E250-L252 PolarHBondContact O-N 2.84Å; L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.36Å; L252-R256 PolarHBondContact O-N 2.91Å; L252-R256 VanDerWaalsContact O-N 3.07Å |
| 253 | N | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 101.8 Ų | 101.8 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 174.7 | -72.1 | -38.2 | 0 | 0 | 0 | 112.3 | E249 E250 L251 R256 Q257 | E249-N253 VanDerWaalsContact O-CG 3.32Å; E249-N253 PolarHBondContact O-N 3.41Å; E249-N253 PolarHBondContact O-ND2 3.41Å; E250-N253 WeakPolarHBondContact O-CB 3.44Å; E250-N253 PolarHBondContact O-N 2.88Å; E250-N253 VanDerWaalsContact O-N 3.13Å; L251-N253 VanDerWaalsContact C-N 3.28Å; L251-N253 PolarHBondContact O-N 3.15Å; N253-R256 WeakPolarHBondContact O-CB 3.49Å; N253-R256 PolarHBondContact O-N 2.69Å; N253-R256 PolarHBondContact OD1-NH1 3.47Å; N253-Q257 WeakPolarHBondContact O-CG 3.43Å; N253-Q257 PolarHBondContact O-N 3.04Å |
| 254 | E | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 172.5 | -174.6 | 171.4 | -161.7 | 0 | 0 | 111.6 | E250 L251 R256 Q257 L258 | E250-E254 PolarHBondContact O-N 3.12Å; L251-E254 PolarHBondContact O-N 2.91Å; E254-R256 VanDerWaalsContact C-N 3.3Å; E254-R256 PolarHBondContact O-N 2.88Å; E254-Q257 PolarHBondContact O-N 3.27Å; E254-Q257 VanDerWaalsContact O-N 3.09Å; E254-L258 HydrophobicContact CG-CD1 4.19Å; E254-L258 HydrophobicContact CG-CG 4.45Å; E254-L258 WeakPolarHBondContact O-CG 3.32Å; E254-L258 PolarHBondContact O-N 3.34Å |
| 255 | I | 98.5 | Very high | 98.6 | Very high | 82 Ų | 82 | 102.7 Ų | 102.7 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 175.6 | -69.2 | 165.8 | 0 | 0 | 0 | 111.3 | L251 L258 R259 | L251-I255 WeakPolarHBondContact O-CG1 3.49Å; L251-I255 PolarHBondContact O-N 3.37Å; I255-L258 PolarHBondContact O-N 2.84Å; I255-R259 WeakPolarHBondContact O-CG 3.27Å; I255-R259 PolarHBondContact O-N 3.17Å |
| 256 | R | 98.4 | Very high | 98.6 | Very high | 159 Ų | 159 | 101.7 Ų | 101.7 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | 174.8 | -72.7 | 165.3 | -178.4 | 162.2 | -2 | 111.8 | L252 N253 E254 R259 L260 | L252-R256 VanDerWaalsContact O-CG 3.27Å; L252-R256 WeakPolarHBondContact O-CG 3.36Å; L252-R256 PolarHBondContact O-N 2.91Å; L252-R256 VanDerWaalsContact O-N 3.07Å; N253-R256 WeakPolarHBondContact O-CB 3.49Å; N253-R256 PolarHBondContact O-N 2.69Å; N253-R256 PolarHBondContact OD1-NH1 3.47Å; E254-R256 VanDerWaalsContact C-N 3.3Å; E254-R256 PolarHBondContact O-N 2.88Å; R256-R259 PolarHBondContact O-N 3.05Å; R256-L260 PolarHBondContact O-N 2.97Å; R256-L260 VanDerWaalsContact O-N 3.08Å |
| 257 | Q | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 176.8 | -69.8 | -174.2 | 11 | 0 | 0 | 112.6 | N253 E254 L260 K261 | N253-Q257 WeakPolarHBondContact O-CG 3.43Å; N253-Q257 PolarHBondContact O-N 3.04Å; E254-Q257 PolarHBondContact O-N 3.27Å; E254-Q257 VanDerWaalsContact O-N 3.09Å; Q257-L260 PolarHBondContact O-N 2.98Å; Q257-K261 WeakPolarHBondContact O-CG 3.35Å; Q257-K261 PolarHBondContact O-N 2.69Å; Q257-K261 VanDerWaalsContact O-N 3.09Å |
| 258 | L | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.7 | -70.6 | 173.3 | 0 | 0 | 0 | 111.6 | E254 I255 K261 Q262 | E254-L258 HydrophobicContact CG-CD1 4.19Å; E254-L258 HydrophobicContact CG-CG 4.45Å; E254-L258 WeakPolarHBondContact O-CG 3.32Å; E254-L258 PolarHBondContact O-N 3.34Å; I255-L258 PolarHBondContact O-N 2.84Å; L258-K261 PolarHBondContact O-N 2.76Å; L258-Q262 PolarHBondContact O-N 3.48Å |
| 259 | R | 98.3 | Very high | 98.6 | Very high | 164 Ų | 164 | 107.6 Ų | 107.6 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -45.9 | 172.6 | -72.8 | -178.7 | -177.3 | -164.4 | 1 | 112.1 | I255 R256 K261 Q262 D263 | I255-R259 WeakPolarHBondContact O-CG 3.27Å; I255-R259 PolarHBondContact O-N 3.17Å; R256-R259 PolarHBondContact O-N 3.05Å; R259-K261 VanDerWaalsContact C-N 3.26Å; R259-K261 PolarHBondContact O-N 2.91Å; R259-Q262 WeakPolarHBondContact O-CA 3.48Å; R259-Q262 WeakPolarHBondContact O-CB 3.41Å; R259-Q262 PolarHBondContact O-N 3.42Å; R259-D263 VanDerWaalsContact O-CG 3.29Å; R259-D263 PolarHBondContact O-N 2.85Å |
| 260 | L | 98.5 | Very high | 98.6 | Very high | 126 Ų | 126 | 105.3 Ų | 105.3 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -37.2 | 177.1 | -168.7 | 76 | 0 | 0 | 0 | 112.6 | R256 Q257 G264 | R256-L260 PolarHBondContact O-N 2.97Å; R256-L260 VanDerWaalsContact O-N 3.08Å; Q257-L260 PolarHBondContact O-N 2.98Å; L260-G264 PolarHBondContact O-N 2.67Å |
| 261 | K | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 105 Ų | 105 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 173.7 | -70 | 170.7 | -176.9 | 172 | 0 | 111.6 | Q257 L258 R259 D263 G264 Y265 | Q257-K261 WeakPolarHBondContact O-CG 3.35Å; Q257-K261 PolarHBondContact O-N 2.69Å; Q257-K261 VanDerWaalsContact O-N 3.09Å; L258-K261 PolarHBondContact O-N 2.76Å; R259-K261 VanDerWaalsContact C-N 3.26Å; R259-K261 PolarHBondContact O-N 2.91Å; K261-D263 PolarHBondContact O-N 3.28Å; K261-G264 WeakPolarHBondContact O-CA 3.4Å; K261-G264 PolarHBondContact O-N 3.41Å; K261-Y265 HydrophobicContact CB-CE2 4.38Å; K261-Y265 VanDerWaalsContact O-CD2 3.28Å; K261-Y265 WeakPolarHBondContact O-CD2 3.49Å; K261-Y265 PolarHBondContact O-N 2.87Å |
| 262 | Q | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 104.9 Ų | 104.9 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.1 | -46.3 | 174.6 | -175.4 | 179.1 | 3.4 | 0 | 0 | 111.4 | L258 R259 G264 Y265 V266 | L258-Q262 PolarHBondContact O-N 3.48Å; R259-Q262 WeakPolarHBondContact O-CA 3.48Å; R259-Q262 WeakPolarHBondContact O-CB 3.41Å; R259-Q262 PolarHBondContact O-N 3.42Å; Q262-G264 PolarHBondContact O-N 3.47Å; Q262-Y265 PolarHBondContact O-N 3.04Å; Q262-Y265 VanDerWaalsContact O-N 3.15Å; Q262-V266 HydrophobicContact CG-CG2 4.46Å; Q262-V266 WeakPolarHBondContact O-CG2 3.35Å; Q262-V266 PolarHBondContact O-N 3.46Å |
| 263 | D | 98.5 | Very high | 98.6 | Very high | 88 Ų | 88 | 106.2 Ų | 106.2 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -21.6 | 175.3 | -61.4 | -25.9 | 0 | 0 | 0 | 112.7 | R259 K261 R267 | R259-D263 VanDerWaalsContact O-CG 3.29Å; R259-D263 PolarHBondContact O-N 2.85Å; K261-D263 PolarHBondContact O-N 3.28Å; D263-R267 PolarHBondContact O-NE 3.32Å; D263-R267 PolarHBondContact O-NH2 3.43Å |
| 264 | G | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 109.4 Ų | 109.4 | 25% | 0.247 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -68.6 | -57.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L260 K261 Q262 V266 R267 E268 | L260-G264 PolarHBondContact O-N 2.67Å; K261-G264 WeakPolarHBondContact O-CA 3.4Å; K261-G264 PolarHBondContact O-N 3.41Å; Q262-G264 PolarHBondContact O-N 3.47Å; G264-V266 VanDerWaalsContact C-N 3.31Å; G264-V266 PolarHBondContact O-N 3.43Å; G264-R267 PolarHBondContact O-N 3.38Å; G264-R267 VanDerWaalsContact O-N 3.16Å; G264-E268 PolarHBondContact O-N 2.81Å; G264-E268 VanDerWaalsContact O-N 3.12Å |
| 265 | Y | 98.5 | Very high | 98.6 | Very high | 146 Ų | 146 | 107.5 Ų | 107.5 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | -179.8 | -60.5 | -50.7 | 0 | 0 | 0 | 112.9 | K261 Q262 R267 E268 I269 | K261-Y265 HydrophobicContact CB-CE2 4.38Å; K261-Y265 VanDerWaalsContact O-CD2 3.28Å; K261-Y265 WeakPolarHBondContact O-CD2 3.49Å; K261-Y265 PolarHBondContact O-N 2.87Å; Q262-Y265 PolarHBondContact O-N 3.04Å; Q262-Y265 VanDerWaalsContact O-N 3.15Å; Y265-R267 VanDerWaalsContact C-N 3.3Å; Y265-R267 PolarHBondContact O-N 3.36Å; Y265-E268 PolarHBondContact O-N 3.42Å; Y265-I269 WeakPolarHBondContact O-CB 3.47Å; Y265-I269 WeakPolarHBondContact O-CD1 3.44Å; Y265-I269 WeakPolarHBondContact O-CG1 3.4Å; Y265-I269 PolarHBondContact O-N 3.2Å |
| 266 | V | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 107.2 Ų | 107.2 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | Q262 G264 S270 | Q262-V266 HydrophobicContact CG-CG2 4.46Å; Q262-V266 WeakPolarHBondContact O-CG2 3.35Å; Q262-V266 PolarHBondContact O-N 3.46Å; G264-V266 VanDerWaalsContact C-N 3.31Å; G264-V266 PolarHBondContact O-N 3.43Å; V266-S270 PolarHBondContact O-N 2.95Å; V266-S270 VanDerWaalsContact O-N 3.14Å; V266-S270 PolarHBondContact O-OG 3.09Å |
| 267 | R | 98.6 | Very high | 98.6 | Very high | 158 Ų | 158 | 104.6 Ų | 104.6 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -48.3 | 174.1 | -75.9 | 176.7 | -72 | 140.9 | -4.9 | 111.6 | D263 G264 Y265 I269 S270 D271 | D263-R267 PolarHBondContact O-NE 3.32Å; D263-R267 PolarHBondContact O-NH2 3.43Å; G264-R267 PolarHBondContact O-N 3.38Å; G264-R267 VanDerWaalsContact O-N 3.16Å; Y265-R267 VanDerWaalsContact C-N 3.3Å; Y265-R267 PolarHBondContact O-N 3.36Å; R267-I269 VanDerWaalsContact C-N 3.29Å; R267-I269 PolarHBondContact O-N 3Å; R267-S270 WeakPolarHBondContact O-CA 3.34Å; R267-S270 WeakPolarHBondContact O-CB 3.38Å; R267-S270 PolarHBondContact O-N 3.2Å; R267-D271 PolarHBondContact O-N 3.06Å |
| 268 | E | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 107 Ų | 107 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 176.9 | -176.6 | 177 | -166 | 0 | 0 | 112.3 | G264 Y265 S270 D271 L272 | G264-E268 PolarHBondContact O-N 2.81Å; G264-E268 VanDerWaalsContact O-N 3.12Å; Y265-E268 PolarHBondContact O-N 3.42Å; E268-S270 VanDerWaalsContact C-N 3.31Å; E268-S270 PolarHBondContact O-N 3.03Å; E268-D271 PolarHBondContact O-N 3.24Å; E268-L272 HydrophobicContact CG-CD1 4.17Å; E268-L272 WeakPolarHBondContact O-CB 3.49Å; E268-L272 VanDerWaalsContact O-CG 3.25Å; E268-L272 WeakPolarHBondContact O-CG 3.47Å; E268-L272 PolarHBondContact O-N 2.96Å |
| 269 | I | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 108 Ų | 108 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 173.7 | -70.7 | 164.6 | 0 | 0 | 0 | 111 | Y265 R267 L272 Q273 | Y265-I269 WeakPolarHBondContact O-CB 3.47Å; Y265-I269 WeakPolarHBondContact O-CD1 3.44Å; Y265-I269 WeakPolarHBondContact O-CG1 3.4Å; Y265-I269 PolarHBondContact O-N 3.2Å; R267-I269 VanDerWaalsContact C-N 3.29Å; R267-I269 PolarHBondContact O-N 3Å; I269-L272 PolarHBondContact O-N 3.31Å; I269-Q273 HydrophobicContact CG2-CG 4.4Å; I269-Q273 WeakPolarHBondContact O-CB 3.38Å; I269-Q273 VanDerWaalsContact O-CG 3.23Å; I269-Q273 WeakPolarHBondContact O-CG 3.4Å; I269-Q273 PolarHBondContact O-N 3.15Å |
| 270 | S | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 104.8 Ų | 104.8 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 178.9 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | V266 R267 E268 L272 Q273 E274 | V266-S270 PolarHBondContact O-N 2.95Å; V266-S270 VanDerWaalsContact O-N 3.14Å; V266-S270 PolarHBondContact O-OG 3.09Å; R267-S270 WeakPolarHBondContact O-CA 3.34Å; R267-S270 WeakPolarHBondContact O-CB 3.38Å; R267-S270 PolarHBondContact O-N 3.2Å; E268-S270 VanDerWaalsContact C-N 3.31Å; E268-S270 PolarHBondContact O-N 3.03Å; S270-L272 VanDerWaalsContact C-N 3.31Å; S270-L272 PolarHBondContact O-N 3.47Å; S270-Q273 WeakPolarHBondContact O-CB 3.44Å; S270-Q273 PolarHBondContact O-N 3.45Å; S270-E274 PolarHBondContact O-N 3.07Å |
| 271 | D | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 177.7 | -60.1 | -18.1 | 0 | 0 | 0 | 111.5 | R267 E268 T275 | R267-D271 PolarHBondContact O-N 3.06Å; E268-D271 PolarHBondContact O-N 3.24Å; D271-T275 PolarHBondContact O-N 3.45Å; D271-T275 VanDerWaalsContact O-N 3.16Å; D271-T275 PolarHBondContact O-OG1 3.47Å |
| 272 | L | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 173.9 | -71.2 | 173.4 | 0 | 0 | 0 | 112.3 | E268 I269 S270 T275 V276 | E268-L272 HydrophobicContact CG-CD1 4.17Å; E268-L272 WeakPolarHBondContact O-CB 3.49Å; E268-L272 VanDerWaalsContact O-CG 3.25Å; E268-L272 WeakPolarHBondContact O-CG 3.47Å; E268-L272 PolarHBondContact O-N 2.96Å; I269-L272 PolarHBondContact O-N 3.31Å; S270-L272 VanDerWaalsContact C-N 3.31Å; S270-L272 PolarHBondContact O-N 3.47Å; L272-T275 WeakPolarHBondContact O-CB 3.4Å; L272-T275 PolarHBondContact O-N 2.91Å; L272-V276 WeakPolarHBondContact O-CG2 3.23Å; L272-V276 PolarHBondContact O-N 2.9Å |
| 273 | Q | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.4 | -79.7 | 172 | -23 | 0 | 0 | 111.6 | I269 S270 T275 V276 E277 | I269-Q273 HydrophobicContact CG2-CG 4.4Å; I269-Q273 WeakPolarHBondContact O-CB 3.38Å; I269-Q273 VanDerWaalsContact O-CG 3.23Å; I269-Q273 WeakPolarHBondContact O-CG 3.4Å; I269-Q273 PolarHBondContact O-N 3.15Å; S270-Q273 WeakPolarHBondContact O-CB 3.44Å; S270-Q273 PolarHBondContact O-N 3.45Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 PolarHBondContact O-N 2.86Å; Q273-V276 PolarHBondContact O-N 3.05Å; Q273-V276 VanDerWaalsContact O-N 3.11Å; Q273-E277 PolarHBondContact O-N 2.92Å |
| 274 | E | 98.6 | Very high | 98.6 | Very high | 142 Ų | 142 | 99.5 Ų | 99.5 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58 | -41 | 174.1 | -175.8 | 176.1 | -163.6 | 0 | 0 | 111.4 | S270 V276 E277 W278 | S270-E274 PolarHBondContact O-N 3.07Å; E274-V276 PolarHBondContact O-N 2.85Å; E274-E277 PolarHBondContact O-N 3.48Å; E274-W278 PolarHBondContact O-N 3.33Å |
| 275 | T | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 100.8 Ų | 100.8 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | D271 L272 Q273 K279 | D271-T275 PolarHBondContact O-N 3.45Å; D271-T275 VanDerWaalsContact O-N 3.16Å; D271-T275 PolarHBondContact O-OG1 3.47Å; L272-T275 WeakPolarHBondContact O-CB 3.4Å; L272-T275 PolarHBondContact O-N 2.91Å; Q273-T275 VanDerWaalsContact C-N 3.26Å; Q273-T275 PolarHBondContact O-N 2.86Å; T275-K279 WeakPolarHBondContact O-CG 3.27Å; T275-K279 PolarHBondContact O-N 3.5Å |
| 276 | V | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 97.8 Ų | 97.8 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.6 | -48.8 | 175.4 | 170 | 0 | 0 | 0 | 0 | 110.5 | L272 Q273 E274 W278 K279 D280 | L272-V276 WeakPolarHBondContact O-CG2 3.23Å; L272-V276 PolarHBondContact O-N 2.9Å; Q273-V276 PolarHBondContact O-N 3.05Å; Q273-V276 VanDerWaalsContact O-N 3.11Å; E274-V276 PolarHBondContact O-N 2.85Å; V276-W278 PolarHBondContact O-N 2.97Å; V276-K279 WeakPolarHBondContact O-CA 3.41Å; V276-K279 WeakPolarHBondContact O-CB 3.28Å; V276-K279 PolarHBondContact O-N 3.5Å; V276-D280 PolarHBondContact O-N 3.42Å |
| 277 | E | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.8 | -39.6 | 177.2 | -75.4 | -168.4 | -158.9 | 0 | 0 | 112.7 | Q273 E274 D280 K281 | Q273-E277 PolarHBondContact O-N 2.92Å; E274-E277 PolarHBondContact O-N 3.48Å; E277-D280 PolarHBondContact O-N 3.33Å; E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 VanDerWaalsContact O-CD 3.28Å; E277-K281 WeakPolarHBondContact O-CD 3.49Å; E277-K281 WeakPolarHBondContact O-CG 3.2Å; E277-K281 PolarHBondContact O-N 2.91Å; E277-K281 IonicContact OE2-NZ 3.49Å; E277-K281 PolarHBondContact OE2-NZ 3.42Å |
| 278 | W | 98.8 | Very high | 98.6 | Very high | 170 Ų | 170 | 99 Ų | 99 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 176.1 | -177.4 | 92.1 | 0 | 0 | 0 | 111.9 | E274 V276 K282 | E274-W278 PolarHBondContact O-N 3.33Å; V276-W278 PolarHBondContact O-N 2.97Å; W278-K282 WeakPolarHBondContact O-CB 3.29Å; W278-K282 PolarHBondContact O-N 3.35Å |
| 279 | K | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.7 | -72.9 | 174.6 | -178 | 174.3 | 0 | 111.6 | T275 V276 K282 I283 | T275-K279 WeakPolarHBondContact O-CG 3.27Å; T275-K279 PolarHBondContact O-N 3.5Å; V276-K279 WeakPolarHBondContact O-CA 3.41Å; V276-K279 WeakPolarHBondContact O-CB 3.28Å; V276-K279 PolarHBondContact O-N 3.5Å; K279-K282 CarbonylContact O-C 3.55Å; K279-K282 WeakPolarHBondContact O-CA 3.39Å; K279-K282 WeakPolarHBondContact O-CB 3.42Å; K279-K282 PolarHBondContact O-N 3.06Å; K279-K282 VanDerWaalsContact O-N 3.09Å; K279-I283 WeakPolarHBondContact O-CG1 3.46Å; K279-I283 PolarHBondContact O-N 3.39Å |
| 280 | D | 98.7 | Very high | 98.5 | Very high | 95 Ų | 95 | 102 Ų | 102 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 178.4 | -66 | -20.7 | 0 | 0 | 0 | 111.5 | V276 E277 K282 I283 G284 | V276-D280 PolarHBondContact O-N 3.42Å; E277-D280 PolarHBondContact O-N 3.33Å; D280-K282 VanDerWaalsContact C-N 3.25Å; D280-K282 PolarHBondContact O-N 2.89Å; D280-I283 PolarHBondContact O-N 3.43Å; D280-G284 PolarHBondContact O-N 3.21Å |
| 281 | K | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 105.2 Ų | 105.2 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.8 | -38.6 | 171.9 | -70.1 | 159.9 | -165.8 | 159.8 | 0 | 111.3 | E277 A285 | E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 VanDerWaalsContact O-CD 3.28Å; E277-K281 WeakPolarHBondContact O-CD 3.49Å; E277-K281 WeakPolarHBondContact O-CG 3.2Å; E277-K281 PolarHBondContact O-N 2.91Å; E277-K281 IonicContact OE2-NZ 3.49Å; E277-K281 PolarHBondContact OE2-NZ 3.42Å; K281-A285 PolarHBondContact O-N 2.98Å |
| 282 | K | 98.7 | Very high | 98.4 | Very high | 104 Ų | 104 | 108.2 Ų | 108.2 | 45% | 0.452 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.2 | -40.7 | 177.2 | -177.7 | 58.3 | 177.8 | 175.5 | 0 | 112.8 | W278 K279 D280 A285 L286 | W278-K282 WeakPolarHBondContact O-CB 3.29Å; W278-K282 PolarHBondContact O-N 3.35Å; K279-K282 CarbonylContact O-C 3.55Å; K279-K282 WeakPolarHBondContact O-CA 3.39Å; K279-K282 WeakPolarHBondContact O-CB 3.42Å; K279-K282 PolarHBondContact O-N 3.06Å; K279-K282 VanDerWaalsContact O-N 3.09Å; D280-K282 VanDerWaalsContact C-N 3.25Å; D280-K282 PolarHBondContact O-N 2.89Å; K282-A285 PolarHBondContact O-N 2.98Å; K282-L286 HydrophobicContact CG-CD1 4.42Å; K282-L286 WeakPolarHBondContact O-CG 3.48Å; K282-L286 PolarHBondContact O-N 3.06Å; K282-L286 VanDerWaalsContact O-N 3.17Å |
| 283 | I | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 106.7 Ų | 106.7 | 43% | 0.431 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -53.2 | 175.7 | -71.3 | 163.9 | 0 | 0 | 0 | 109.4 | K279 D280 A285 L286 E287 | K279-I283 WeakPolarHBondContact O-CG1 3.46Å; K279-I283 PolarHBondContact O-N 3.39Å; D280-I283 PolarHBondContact O-N 3.43Å; I283-A285 PolarHBondContact O-N 3.28Å; I283-A285 VanDerWaalsContact O-N 3.13Å; I283-L286 CarbonylContact O-C 3.58Å; I283-L286 WeakPolarHBondContact O-CA 3.36Å; I283-L286 WeakPolarHBondContact O-CB 3.48Å; I283-L286 PolarHBondContact O-N 3.46Å; I283-E287 HydrophobicContact CG2-CG 4.16Å; I283-E287 WeakPolarHBondContact O-CG 3.35Å; I283-E287 PolarHBondContact O-N 2.66Å |
| 284 | G | 98.4 | Very high | 98.4 | Very high | 14 Ų | 14 | 103 Ų | 103 | 14% | 0.144 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.5 | -25.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D280 E287 R288 | D280-G284 PolarHBondContact O-N 3.21Å; G284-E287 WeakPolarHBondContact CA-OE2 3.44Å; G284-R288 VanDerWaalsContact C-NH1 3.27Å; G284-R288 WeakPolarHBondContact O-CG 3.37Å; G284-R288 PolarHBondContact O-N 3.45Å; G284-R288 PolarHBondContact O-NH1 3.23Å |
| 285 | A | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K281 K282 I283 Q289 | K281-A285 PolarHBondContact O-N 2.98Å; K282-A285 PolarHBondContact O-N 2.98Å; I283-A285 PolarHBondContact O-N 3.28Å; I283-A285 VanDerWaalsContact O-N 3.13Å; A285-Q289 PolarHBondContact O-N 2.96Å |
| 286 | L | 98.3 | Very high | 98.3 | Very high | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.9 | -34.7 | 176.7 | -67.6 | 170.9 | 0 | 0 | 0 | 112.3 | K282 I283 Q289 K290 | K282-L286 HydrophobicContact CG-CD1 4.42Å; K282-L286 WeakPolarHBondContact O-CG 3.48Å; K282-L286 PolarHBondContact O-N 3.06Å; K282-L286 VanDerWaalsContact O-N 3.17Å; I283-L286 CarbonylContact O-C 3.58Å; I283-L286 WeakPolarHBondContact O-CA 3.36Å; I283-L286 WeakPolarHBondContact O-CB 3.48Å; I283-L286 PolarHBondContact O-N 3.46Å; L286-Q289 WeakPolarHBondContact O-CB 3.47Å; L286-Q289 PolarHBondContact O-N 3.07Å; L286-K290 WeakPolarHBondContact O-CB 3.41Å; L286-K290 PolarHBondContact O-N 3.31Å |
| 287 | E | 98.2 | Very high | 98.3 | Very high | 112 Ų | 112 | 101.7 Ų | 101.7 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 175 | -72.1 | 173.3 | 151 | 0 | 0 | 111.2 | I283 G284 Q289 K290 E291 | I283-E287 HydrophobicContact CG2-CG 4.16Å; I283-E287 WeakPolarHBondContact O-CG 3.35Å; I283-E287 PolarHBondContact O-N 2.66Å; G284-E287 WeakPolarHBondContact CA-OE2 3.44Å; E287-Q289 VanDerWaalsContact C-N 3.31Å; E287-Q289 PolarHBondContact O-N 3.29Å; E287-K290 CarbonylContact O-C 3.59Å; E287-K290 WeakPolarHBondContact O-CA 3.46Å; E287-K290 WeakPolarHBondContact O-CB 3.48Å; E287-K290 PolarHBondContact O-N 3.05Å; E287-E291 WeakPolarHBondContact O-CG 3.37Å; E287-E291 PolarHBondContact O-N 3.29Å |
| 288 | R | 98.1 | Very high | 98.2 | Very high | 148 Ų | 148 | 102 Ų | 102 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.4 | -40.6 | 172.9 | -68.3 | 179.1 | -170 | 92.9 | -7.2 | 112.6 | G284 K290 E291 Y292 | G284-R288 VanDerWaalsContact C-NH1 3.27Å; G284-R288 WeakPolarHBondContact O-CG 3.37Å; G284-R288 PolarHBondContact O-N 3.45Å; G284-R288 PolarHBondContact O-NH1 3.23Å; R288-K290 VanDerWaalsContact C-N 3.29Å; R288-K290 PolarHBondContact O-N 3.14Å; R288-E291 PolarHBondContact O-N 2.74Å; R288-Y292 WeakPolarHBondContact O-CD2 3.24Å; R288-Y292 PolarHBondContact O-N 2.72Å; R288-Y292 VanDerWaalsContact O-N 3.09Å |
| 289 | Q | 98.1 | Very high | 98.1 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.1 | -39.8 | 175.1 | -174.9 | -178.6 | 0.1 | 0 | 0 | 111.7 | A285 L286 E287 S293 | A285-Q289 PolarHBondContact O-N 2.96Å; L286-Q289 WeakPolarHBondContact O-CB 3.47Å; L286-Q289 PolarHBondContact O-N 3.07Å; E287-Q289 VanDerWaalsContact C-N 3.31Å; E287-Q289 PolarHBondContact O-N 3.29Å; Q289-S293 PolarHBondContact O-N 2.87Å |
| 290 | K | 98.2 | Very high | 98 | Very high | 134 Ų | 134 | 99.6 Ų | 99.6 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 174.9 | -174.7 | -165.9 | 169.3 | -160.8 | 0 | 111.3 | L286 E287 R288 Y292 S293 D294 | L286-K290 WeakPolarHBondContact O-CB 3.41Å; L286-K290 PolarHBondContact O-N 3.31Å; E287-K290 CarbonylContact O-C 3.59Å; E287-K290 WeakPolarHBondContact O-CA 3.46Å; E287-K290 WeakPolarHBondContact O-CB 3.48Å; E287-K290 PolarHBondContact O-N 3.05Å; R288-K290 VanDerWaalsContact C-N 3.29Å; R288-K290 PolarHBondContact O-N 3.14Å; K290-Y292 VanDerWaalsContact C-N 3.34Å; K290-Y292 PolarHBondContact O-N 3.43Å; K290-S293 CarbonylContact O-C 3.54Å; K290-S293 PolarHBondContact O-N 3.43Å; K290-S293 VanDerWaalsContact O-N 3.08Å; K290-D294 VanDerWaalsContact CE-OD2 3.28Å; K290-D294 WeakPolarHBondContact CE-OD2 3.5Å; K290-D294 WeakPolarHBondContact O-CB 3.28Å; K290-D294 VanDerWaalsContact O-CG 3.32Å; K290-D294 PolarHBondContact O-N 2.91Å |
| 291 | E | 98 | Very high | 97.9 | Very high | 124 Ų | 124 | 97.8 Ų | 97.8 | 58% | 0.579 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.3 | -46.9 | 175.8 | -70.3 | 168.2 | 169.3 | 0 | 0 | 111.7 | E287 R288 S293 D294 A295 | E287-E291 WeakPolarHBondContact O-CG 3.37Å; E287-E291 PolarHBondContact O-N 3.29Å; R288-E291 PolarHBondContact O-N 2.74Å; E291-S293 PolarHBondContact O-N 3.42Å; E291-D294 PolarHBondContact O-N 2.87Å; E291-A295 WeakPolarHBondContact O-CB 3.44Å; E291-A295 PolarHBondContact O-N 3.35Å |
| 292 | Y | 97.6 | Very high | 97.8 | Very high | 166 Ų | 166 | 97.2 Ų | 97.2 | 65% | 0.651 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 173.9 | -67.5 | -59.8 | 0 | 0 | 0 | 112.5 | R288 K290 D294 A295 I296 | R288-Y292 WeakPolarHBondContact O-CD2 3.24Å; R288-Y292 PolarHBondContact O-N 2.72Å; R288-Y292 VanDerWaalsContact O-N 3.09Å; K290-Y292 VanDerWaalsContact C-N 3.34Å; K290-Y292 PolarHBondContact O-N 3.43Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; Y292-D294 PolarHBondContact O-N 3.2Å; Y292-A295 PolarHBondContact O-N 2.88Å; Y292-I296 VanDerWaalsContact O-CG1 3.32Å; Y292-I296 WeakPolarHBondContact O-CG1 3.27Å; Y292-I296 PolarHBondContact O-N 2.97Å |
| 293 | S | 97.9 | Very high | 97.7 | Very high | 69 Ų | 69 | 97.4 Ų | 97.4 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -33.5 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 113 | Q289 K290 E291 R297 | Q289-S293 PolarHBondContact O-N 2.87Å; K290-S293 CarbonylContact O-C 3.54Å; K290-S293 PolarHBondContact O-N 3.43Å; K290-S293 VanDerWaalsContact O-N 3.08Å; E291-S293 PolarHBondContact O-N 3.42Å; S293-R297 WeakPolarHBondContact O-CB 3.46Å; S293-R297 PolarHBondContact O-N 3.06Å; S293-R297 VanDerWaalsContact O-N 3.14Å |
| 294 | D | 98.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 100 Ų | 100 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -73.4 | -38.8 | 177.3 | -74.5 | -15 | 0 | 0 | 0 | 110.1 | K290 E291 Y292 R297 M298 | K290-D294 VanDerWaalsContact CE-OD2 3.28Å; K290-D294 WeakPolarHBondContact CE-OD2 3.5Å; K290-D294 WeakPolarHBondContact O-CB 3.28Å; K290-D294 VanDerWaalsContact O-CG 3.32Å; K290-D294 PolarHBondContact O-N 2.91Å; E291-D294 PolarHBondContact O-N 2.87Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; Y292-D294 PolarHBondContact O-N 3.2Å; D294-R297 VanDerWaalsContact CG-NH2 3.27Å; D294-R297 WeakPolarHBondContact O-CB 3.4Å; D294-R297 PolarHBondContact O-N 3.09Å; D294-R297 IonicContact OD1-CZ 3.51Å; D294-R297 IonicContact OD1-NH1 3.48Å; D294-R297 PolarHBondContact OD1-NH1 3.12Å; D294-R297 IonicContact OD1-NH2 2.76Å; D294-R297 PolarHBondContact OD1-NH2 2.9Å; D294-R297 IonicContact OD2-NH2 2.69Å; D294-M298 WeakPolarHBondContact O-CG 3.46Å; D294-M298 PolarHBondContact O-N 3.43Å |
| 295 | A | 98.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 104.9 Ų | 104.9 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -51.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E291 Y292 R297 M298 E299 | E291-A295 WeakPolarHBondContact O-CB 3.44Å; E291-A295 PolarHBondContact O-N 3.35Å; Y292-A295 PolarHBondContact O-N 2.88Å; A295-R297 PolarHBondContact O-N 3.43Å; A295-M298 PolarHBondContact O-N 2.9Å; A295-E299 PolarHBondContact O-N 3.49Å |
| 296 | I | 97.3 | Very high | 97.1 | Very high | 112 Ų | 112 | 107.6 Ų | 107.6 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.2 | -35.8 | 175.6 | -67.1 | 164.2 | 0 | 0 | 0 | 111.1 | Y292 R300 | Y292-I296 VanDerWaalsContact O-CG1 3.32Å; Y292-I296 WeakPolarHBondContact O-CG1 3.27Å; Y292-I296 PolarHBondContact O-N 2.97Å; I296-R300 VanDerWaalsContact O-CB 3.28Å; I296-R300 WeakPolarHBondContact O-CB 3.4Å; I296-R300 PolarHBondContact O-N 3.46Å; I296-R300 VanDerWaalsContact O-N 3.07Å |
| 297 | R | 97.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 105.1 Ų | 105.1 | 42% | 0.415 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 175.9 | -173.3 | 176.6 | 63.7 | -113.8 | -7.3 | 111.7 | S293 D294 A295 R300 D301 | S293-R297 WeakPolarHBondContact O-CB 3.46Å; S293-R297 PolarHBondContact O-N 3.06Å; S293-R297 VanDerWaalsContact O-N 3.14Å; D294-R297 VanDerWaalsContact CG-NH2 3.27Å; D294-R297 WeakPolarHBondContact O-CB 3.4Å; D294-R297 PolarHBondContact O-N 3.09Å; D294-R297 IonicContact OD1-CZ 3.51Å; D294-R297 IonicContact OD1-NH1 3.48Å; D294-R297 PolarHBondContact OD1-NH1 3.12Å; D294-R297 IonicContact OD1-NH2 2.76Å; D294-R297 PolarHBondContact OD1-NH2 2.9Å; D294-R297 IonicContact OD2-NH2 2.69Å; A295-R297 PolarHBondContact O-N 3.43Å; R297-R300 PolarHBondContact O-N 3.47Å; R297-D301 WeakPolarHBondContact O-CB 3.48Å; R297-D301 PolarHBondContact O-N 2.92Å |
| 298 | M | 97.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 103.7 Ų | 103.7 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -50.8 | 176.6 | -69.2 | -175.4 | -60.7 | 0 | 0 | 111.4 | D294 A295 R300 D301 E302 | D294-M298 WeakPolarHBondContact O-CG 3.46Å; D294-M298 PolarHBondContact O-N 3.43Å; A295-M298 PolarHBondContact O-N 2.9Å; M298-R300 VanDerWaalsContact C-N 3.3Å; M298-R300 PolarHBondContact O-N 3.09Å; M298-D301 PolarHBondContact O-N 3.36Å; M298-E302 WeakPolarHBondContact O-CG 3.42Å; M298-E302 PolarHBondContact O-N 2.9Å |
| 299 | E | 97.5 | Very high | 96.2 | Very high | 122 Ų | 122 | 101.8 Ų | 101.8 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.7 | -44.2 | 177.1 | -69.6 | 178.4 | 178.2 | 0 | 0 | 112 | A295 D301 L303 | A295-E299 PolarHBondContact O-N 3.49Å; E299-D301 VanDerWaalsContact C-N 3.33Å; E299-D301 PolarHBondContact O-N 2.98Å; E299-L303 WeakPolarHBondContact O-CB 3.3Å; E299-L303 VanDerWaalsContact O-CG 3.25Å; E299-L303 WeakPolarHBondContact O-CG 3.36Å; E299-L303 PolarHBondContact O-N 2.91Å |
| 300 | R | 96.2 | Very high | 95.9 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 42% | 0.419 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.7 | -178.5 | -156 | 70.3 | -173.7 | -2.1 | 112.1 | I296 R297 M298 R304 | I296-R300 VanDerWaalsContact O-CB 3.28Å; I296-R300 WeakPolarHBondContact O-CB 3.4Å; I296-R300 PolarHBondContact O-N 3.46Å; I296-R300 VanDerWaalsContact O-N 3.07Å; R297-R300 PolarHBondContact O-N 3.47Å; M298-R300 VanDerWaalsContact C-N 3.3Å; M298-R300 PolarHBondContact O-N 3.09Å; R300-R304 WeakPolarHBondContact O-CD 3.35Å; R300-R304 VanDerWaalsContact O-CG 3.24Å; R300-R304 WeakPolarHBondContact O-CG 3.45Å; R300-R304 PolarHBondContact O-N 3.37Å |
| 301 | D | 96.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 100.6 Ų | 100.6 | 31% | 0.305 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.9 | -34.8 | -176.3 | -67.6 | -21 | 0 | 0 | 0 | 111.3 | R297 M298 E299 R304 E305 | R297-D301 WeakPolarHBondContact O-CB 3.48Å; R297-D301 PolarHBondContact O-N 2.92Å; M298-D301 PolarHBondContact O-N 3.36Å; E299-D301 VanDerWaalsContact C-N 3.33Å; E299-D301 PolarHBondContact O-N 2.98Å; D301-R304 WeakPolarHBondContact O-CB 3.44Å; D301-R304 PolarHBondContact O-N 3.02Å; D301-R304 IonicContact OD1-NH1 2.76Å; D301-R304 PolarHBondContact OD1-NH1 2.8Å; D301-E305 PolarHBondContact O-N 3.13Å |
| 302 | E | 96.8 | Very high | 95 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 58% | 0.575 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -49.1 | 167.4 | -72 | 176.5 | -172.3 | 0 | 0 | 111.8 | M298 R304 E305 E306 | M298-E302 WeakPolarHBondContact O-CG 3.42Å; M298-E302 PolarHBondContact O-N 2.9Å; E302-R304 VanDerWaalsContact C-N 3.25Å; E302-R304 PolarHBondContact O-N 2.66Å; E302-E305 WeakPolarHBondContact O-CB 3.45Å; E302-E305 PolarHBondContact O-N 3Å; E302-E306 PolarHBondContact O-N 3.38Å |
| 303 | L | 96.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.1 | -34.1 | 175.8 | -74 | 170.4 | 0 | 0 | 0 | 112.7 | E299 E306 A307 | E299-L303 WeakPolarHBondContact O-CB 3.3Å; E299-L303 VanDerWaalsContact O-CG 3.25Å; E299-L303 WeakPolarHBondContact O-CG 3.36Å; E299-L303 PolarHBondContact O-N 2.91Å; L303-E306 PolarHBondContact O-N 2.99Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 2.98Å |
| 304 | R | 94.3 | Very high | 94.1 | Very high | 138 Ų | 138 | 94.1 Ų | 94.1 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 173 | -77.4 | 164.5 | 164.3 | -162.2 | -10.8 | 111.5 | R300 D301 E302 A307 V308 | R300-R304 WeakPolarHBondContact O-CD 3.35Å; R300-R304 VanDerWaalsContact O-CG 3.24Å; R300-R304 WeakPolarHBondContact O-CG 3.45Å; R300-R304 PolarHBondContact O-N 3.37Å; D301-R304 WeakPolarHBondContact O-CB 3.44Å; D301-R304 PolarHBondContact O-N 3.02Å; D301-R304 IonicContact OD1-NH1 2.76Å; D301-R304 PolarHBondContact OD1-NH1 2.8Å; E302-R304 VanDerWaalsContact C-N 3.25Å; E302-R304 PolarHBondContact O-N 2.66Å; R304-A307 PolarHBondContact O-N 3.06Å; R304-V308 WeakPolarHBondContact O-CG2 3.49Å; R304-V308 PolarHBondContact O-N 3.42Å; R304-V308 VanDerWaalsContact O-N 3.1Å |
| 305 | E | 95.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 99.4 Ų | 99.4 | 54% | 0.542 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 173.4 | -69 | -168.6 | -175.3 | 0 | 0 | 112.5 | D301 E302 A307 V308 K309 | D301-E305 PolarHBondContact O-N 3.13Å; E302-E305 WeakPolarHBondContact O-CB 3.45Å; E302-E305 PolarHBondContact O-N 3Å; E305-A307 VanDerWaalsContact C-N 3.35Å; E305-V308 PolarHBondContact O-N 3.45Å; E305-K309 WeakPolarHBondContact O-CD 3.45Å; E305-K309 VanDerWaalsContact O-CG 3.23Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 3.39Å; E305-K309 IonicContact OE2-NZ 2.66Å; E305-K309 PolarHBondContact OE2-NZ 3.11Å |
| 306 | E | 94.4 | Very high | 93.2 | Very high | 108 Ų | 108 | 105.9 Ų | 105.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.1 | -71.2 | -168.3 | 160.8 | 0 | 0 | 111.8 | E302 L303 V308 K309 L310 | E302-E306 PolarHBondContact O-N 3.38Å; L303-E306 PolarHBondContact O-N 2.99Å; E306-V308 VanDerWaalsContact C-N 3.31Å; E306-V308 PolarHBondContact O-N 2.98Å; E306-K309 PolarHBondContact O-N 3.17Å; E306-L310 WeakPolarHBondContact O-CB 3.46Å; E306-L310 WeakPolarHBondContact O-CG 3.27Å; E306-L310 PolarHBondContact O-N 3.01Å |
| 307 | A | 91.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 107.3 Ų | 107.3 | 26% | 0.256 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L303 R304 E305 K311 I327 | L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 2.98Å; R304-A307 PolarHBondContact O-N 3.06Å; E305-A307 VanDerWaalsContact C-N 3.35Å; A307-K311 VanDerWaalsContact O-CB 3.31Å; A307-K311 WeakPolarHBondContact O-CB 3.49Å; A307-K311 PolarHBondContact O-N 2.97Å; A307-I327 HydrophobicContact CB-CD1 3.63Å |
| 308 | V | 91.7 | Very high | 91.7 | Very high | 83 Ų | 83 | 105.1 Ų | 105.1 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -47.5 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | R304 E305 E306 L310 K311 D312 | R304-V308 WeakPolarHBondContact O-CG2 3.49Å; R304-V308 PolarHBondContact O-N 3.42Å; R304-V308 VanDerWaalsContact O-N 3.1Å; E305-V308 PolarHBondContact O-N 3.45Å; E306-V308 VanDerWaalsContact C-N 3.31Å; E306-V308 PolarHBondContact O-N 2.98Å; V308-L310 VanDerWaalsContact C-N 3.32Å; V308-L310 PolarHBondContact O-N 3.43Å; V308-K311 WeakPolarHBondContact O-CB 3.2Å; V308-K311 PolarHBondContact O-N 3.28Å; V308-D312 PolarHBondContact O-N 2.97Å |
| 309 | K | 92.3 | Very high | 90.4 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 47% | 0.47 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 177.2 | -69.1 | 158.8 | -167.7 | 158.4 | 0 | 111.1 | E305 E306 D312 I313 | E305-K309 WeakPolarHBondContact O-CD 3.45Å; E305-K309 VanDerWaalsContact O-CG 3.23Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 3.39Å; E305-K309 IonicContact OE2-NZ 2.66Å; E305-K309 PolarHBondContact OE2-NZ 3.11Å; E306-K309 PolarHBondContact O-N 3.17Å; K309-D312 PolarHBondContact O-N 3.39Å; K309-I313 VanDerWaalsContact O-CG1 3.28Å; K309-I313 WeakPolarHBondContact O-CG1 3.38Å; K309-I313 PolarHBondContact O-N 3.04Å |
| 310 | L | 91 | Very high | 89 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 176.3 | -72.7 | 170.6 | 0 | 0 | 0 | 112.6 | E306 V308 D312 I313 L314 | E306-L310 WeakPolarHBondContact O-CB 3.46Å; E306-L310 WeakPolarHBondContact O-CG 3.27Å; E306-L310 PolarHBondContact O-N 3.01Å; V308-L310 VanDerWaalsContact C-N 3.32Å; V308-L310 PolarHBondContact O-N 3.43Å; L310-D312 VanDerWaalsContact C-N 3.33Å; L310-D312 PolarHBondContact O-N 3.46Å; L310-I313 PolarHBondContact O-N 3.04Å; L310-L314 PolarHBondContact O-N 3.31Å |
| 311 | K | 88.8 | Confident | 87.5 | Confident | 128 Ų | 128 | 102.6 Ų | 102.6 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -42 | 176.1 | -178.9 | 170.4 | -175 | 173.3 | 0 | 111.9 | A307 V308 L314 K315 L321 | A307-K311 VanDerWaalsContact O-CB 3.31Å; A307-K311 WeakPolarHBondContact O-CB 3.49Å; A307-K311 PolarHBondContact O-N 2.97Å; V308-K311 WeakPolarHBondContact O-CB 3.2Å; V308-K311 PolarHBondContact O-N 3.28Å; K311-L314 PolarHBondContact O-N 2.85Å; K311-K315 WeakPolarHBondContact O-CB 3.19Å; K311-K315 PolarHBondContact O-N 3.46Å; K311-L321 HydrophobicContact CB-CD1 4.45Å; K311-L321 HydrophobicContact CG-CD1 4.12Å |
| 312 | D | 89.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 176.2 | -80.8 | -16.5 | 0 | 0 | 0 | 112.9 | V308 K309 L310 K315 K316 | V308-D312 PolarHBondContact O-N 2.97Å; K309-D312 PolarHBondContact O-N 3.39Å; L310-D312 VanDerWaalsContact C-N 3.33Å; L310-D312 PolarHBondContact O-N 3.46Å; D312-K315 PolarHBondContact O-N 3.25Å; D312-K316 VanDerWaalsContact O-CG 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.48Å; D312-K316 PolarHBondContact O-N 2.87Å |
| 313 | I | 90.5 | Very high | 84 | Confident | 82 Ų | 82 | 101.7 Ų | 101.7 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 172.9 | -69.8 | 164.1 | 0 | 0 | 0 | 110.4 | K309 L310 K315 K316 H317 | K309-I313 VanDerWaalsContact O-CG1 3.28Å; K309-I313 WeakPolarHBondContact O-CG1 3.38Å; K309-I313 PolarHBondContact O-N 3.04Å; L310-I313 PolarHBondContact O-N 3.04Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 2.73Å; I313-K316 WeakPolarHBondContact O-CB 3.43Å; I313-K316 PolarHBondContact O-N 3.04Å; I313-H317 PolarHBondContact O-N 3.48Å; I313-H317 PolarHBondContact O-ND1 2.9Å |
| 314 | L | 87.1 | Confident | 81.9 | Confident | 62 Ų | 62 | 104 Ų | 104 | 33% | 0.325 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 178.5 | -122 | 74.2 | 0 | 0 | 0 | 112 | L310 K311 K316 H317 G318 I319 L321 | L310-L314 PolarHBondContact O-N 3.31Å; K311-L314 PolarHBondContact O-N 2.85Å; L314-K316 VanDerWaalsContact C-N 3.31Å; L314-K316 PolarHBondContact O-N 3.44Å; L314-H317 PolarHBondContact O-N 3.05Å; L314-G318 PolarHBondContact O-N 3.26Å; L314-I319 CarbonylContact C-O 3.53Å; L314-I319 HydrophobicContact CD2-CB 4.21Å; L314-I319 HydrophobicContact CD2-CG2 3.75Å; L314-I319 HydrophobicContact CG-CB 4.03Å; L314-I319 HydrophobicContact CG-CD1 4.37Å; L314-I319 HydrophobicContact CG-CG2 4.13Å; L314-I319 PolarHBondContact O-N 2.84Å; L314-L321 HydrophobicContact CB-CD1 4.49Å; L314-L321 HydrophobicContact CD2-CD1 3.94Å; L314-L321 HydrophobicContact CD2-CD2 3.6Å; L314-L321 HydrophobicContact CD2-CG 3.76Å |
| 315 | K | 87.3 | Confident | 80.2 | Confident | 150 Ų | 150 | 103 Ų | 103 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.8 | -38.6 | 176.1 | -170.7 | 177.3 | -179.9 | -177.7 | 0 | 112.4 | K311 D312 I313 H317 G318 | K311-K315 WeakPolarHBondContact O-CB 3.19Å; K311-K315 PolarHBondContact O-N 3.46Å; D312-K315 PolarHBondContact O-N 3.25Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 2.73Å; K315-H317 VanDerWaalsContact C-N 3.28Å; K315-H317 PolarHBondContact O-N 3.38Å; K315-G318 PolarHBondContact O-N 3.31Å |
| 316 | K | 89.8 | Confident | 78.4 | Confident | 172 Ų | 172 | 103 Ų | 103 | 75% | 0.748 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.7 | -28.4 | 173.9 | -73.3 | 167.1 | -176.5 | 172.4 | 0 | 113.3 | D312 I313 L314 G318 | D312-K316 VanDerWaalsContact O-CG 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.48Å; D312-K316 PolarHBondContact O-N 2.87Å; I313-K316 WeakPolarHBondContact O-CB 3.43Å; I313-K316 PolarHBondContact O-N 3.04Å; L314-K316 VanDerWaalsContact C-N 3.31Å; L314-K316 PolarHBondContact O-N 3.44Å; K316-G318 VanDerWaalsContact C-N 3.31Å |
| 317 | H | 86.4 | Confident | 76.7 | Confident | 142 Ų | 142 | 103.9 Ų | 103.9 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 10.3 | 178 | -67.6 | 83.5 | 0 | 0 | 0 | 113.5 | I313 L314 K315 I319 | I313-H317 PolarHBondContact O-N 3.48Å; I313-H317 PolarHBondContact O-ND1 2.9Å; L314-H317 PolarHBondContact O-N 3.05Å; K315-H317 VanDerWaalsContact C-N 3.28Å; K315-H317 PolarHBondContact O-N 3.38Å; H317-I319 VanDerWaalsContact C-N 3.3Å; H317-I319 PolarHBondContact O-N 2.83Å |
| 318 | G | 76.9 | Confident | 75 | Confident | 64 Ų | 64 | 109.9 Ų | 109.9 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.6 | 5.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L314 K315 K316 V320 | L314-G318 PolarHBondContact O-N 3.26Å; K315-G318 PolarHBondContact O-N 3.31Å; K316-G318 VanDerWaalsContact C-N 3.31Å; G318-V320 PolarHBondContact O-N 3.03Å |
| 319 | I | 70.5 | Confident | 73.1 | Confident | 97 Ų | 97 | 109.3 Ų | 109.3 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | trans | -92.3 | 100.7 | 177.7 | -56.3 | 174.9 | 0 | 0 | 0 | 108.4 | L314 H317 L321 | L314-I319 CarbonylContact C-O 3.53Å; L314-I319 HydrophobicContact CD2-CB 4.21Å; L314-I319 HydrophobicContact CD2-CG2 3.75Å; L314-I319 HydrophobicContact CG-CB 4.03Å; L314-I319 HydrophobicContact CG-CD1 4.37Å; L314-I319 HydrophobicContact CG-CG2 4.13Å; L314-I319 PolarHBondContact O-N 2.84Å; H317-I319 VanDerWaalsContact C-N 3.3Å; H317-I319 PolarHBondContact O-N 2.83Å; I319-L321 PolarHBondContact O-N 3.45Å | ||
| 320 | V | 67.9 | Low | 70.6 | Confident | 128 Ų | 128 | 111 Ų | 111 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | trans | -82.1 | 109.4 | 173 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | G318 G322 | G318-V320 PolarHBondContact O-N 3.03Å; V320-G322 PolarHBondContact O-N 2.84Å | ||
| 321 | L | 64.6 | Low | 68.4 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 36% | 0.356 | 62% | 0.623 | S | S | . | * | trans | -63.4 | 125.3 | 170.9 | -68 | 162.1 | 0 | 0 | 0 | 109.3 | K311 L314 I319 L325 | K311-L321 HydrophobicContact CB-CD1 4.45Å; K311-L321 HydrophobicContact CG-CD1 4.12Å; L314-L321 HydrophobicContact CB-CD1 4.49Å; L314-L321 HydrophobicContact CD2-CD1 3.94Å; L314-L321 HydrophobicContact CD2-CD2 3.6Å; L314-L321 HydrophobicContact CD2-CG 3.76Å; I319-L321 PolarHBondContact O-N 3.45Å; L321-L325 HydrophobicContact CB-CD1 4.31Å; L321-L325 HydrophobicContact CD2-CD1 3.46Å; L321-L325 VanDerWaalsContact CD2-CD1 3.46Å; L321-L325 HydrophobicContact CG-CD1 4.46Å | ||
| 322 | G | 55.5 | Low | 66.1 | Low | 37 Ų | 37 | 106.6 Ų | 106.6 | 38% | 0.381 | 62% | 0.623 | S | S | . | * | trans | -67.7 | 165.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V320 D324 L325 | V320-G322 PolarHBondContact O-N 2.84Å; G322-D324 PolarHBondContact O-N 3.14Å; G322-D324 VanDerWaalsContact O-N 3.09Å; G322-L325 PolarHBondContact O-N 3.02Å | ||
| 323 | P | 62.5 | Low | 64.1 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 81% | 0.805 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -26 | -175.5 | -25.3 | 35.4 | 0 | 0 | 0 | 114.9 | L325 | P323-L325 PolarHBondContact O-N 3.41Š|
| 324 | D | 52.7 | Low | 61.4 | Low | 158 Ų | 158 | 110.5 Ų | 110.5 | 85% | 0.845 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -6.1 | -173.2 | -52.7 | -46 | 0 | 0 | 0 | 114.4 | G322 N326 | G322-D324 PolarHBondContact O-N 3.14Å; G322-D324 VanDerWaalsContact O-N 3.09Å; D324-N326 VanDerWaalsContact C-N 3.29Å; D324-N326 PolarHBondContact O-N 2.99Å |
| 325 | L | 59.7 | Low | 59.3 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 61% | 0.613 | 69% | 0.686 | S | S | * | * | trans | -94.9 | 47.2 | 177.4 | -64.7 | 174.7 | 0 | 0 | 0 | 112.1 | L321 G322 P323 I327 | L321-L325 HydrophobicContact CB-CD1 4.31Å; L321-L325 HydrophobicContact CD2-CD1 3.46Å; L321-L325 VanDerWaalsContact CD2-CD1 3.46Å; L321-L325 HydrophobicContact CG-CD1 4.46Å; G322-L325 PolarHBondContact O-N 3.02Å; P323-L325 PolarHBondContact O-N 3.41Å; L325-I327 PolarHBondContact O-N 3.32Å | ||
| 326 | N | 57.5 | Low | 57.1 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | trans | -80.4 | 96.3 | 173.8 | -155.4 | 34.5 | 0 | 0 | 0 | 110 | D324 N328 | D324-N326 VanDerWaalsContact C-N 3.29Å; D324-N326 PolarHBondContact O-N 2.99Å; N326-N328 PolarHBondContact O-N 2.94Å | ||
| 327 | I | 57.9 | Low | 54.4 | Low | 127 Ų | 127 | 115 Ų | 115 | 65% | 0.651 | 70% | 0.698 | S | S | * | * | trans | -63.3 | 99.7 | -179.9 | 39.1 | 172.5 | 0 | 0 | 0 | 111.9 | A307 L325 | A307-I327 HydrophobicContact CB-CD1 3.63Å; L325-I327 PolarHBondContact O-N 3.32Å | ||
| 328 | N | 56 | Low | 52 | Low | 158 Ų | 158 | 111.1 Ų | 111.1 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 54.9 | 88 | 170.2 | -70.8 | -15.6 | 0 | 0 | 0 | 116.7 | N326 | N326-N328 PolarHBondContact O-N 2.94Š|
| 329 | G | 51.5 | Low | 50.1 | Low | 70 Ų | 70 | 113.9 Ų | 113.9 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 69 | 51.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | A331 | G329-A331 PolarHBondContact O-N 2.93Š| ||
| 330 | D | 40.3 | Very low | 48.6 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | -70.6 | 82.1 | 160.4 | -174.1 | 33 | 0 | 0 | 0 | 109.9 | ||||
| 331 | A | 43.9 | Very low | 46.8 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -89.5 | 103.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | G329 | G329-A331 PolarHBondContact O-N 2.93Š| ||
| 332 | G | 40.1 | Very low | 45.5 | Very low | 54 Ų | 54 | 113.1 Ų | 113.1 | 56% | 0.557 | 74% | 0.744 | S | S | * | * | trans | -59 | 165.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S334 | G332-S334 PolarHBondContact O-N 2.86Š| ||
| 333 | P | 47 | Very low | 44.5 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 120.3 | -168.9 | 28.3 | -34.8 | 0 | 0 | 0 | 111.6 | ||||
| 334 | S | 35 | Very low | 43.3 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -102.8 | 103.8 | 166.4 | -164.8 | 0 | 0 | 0 | 0 | 109.2 | G332 V336 | G332-S334 PolarHBondContact O-N 2.86Å; S334-V336 PolarHBondContact O-N 3.41Å | ||
| 335 | E | 42.7 | Very low | 42.8 | Very low | 189 Ų | 189 | 121.3 Ų | 121.3 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -64.8 | 118.1 | 160.4 | -62.2 | -179.5 | 142.8 | 0 | 0 | 108.7 | ||||
| 336 | V | 40.4 | Very low | 41.7 | Very low | 129 Ų | 129 | 120.7 Ų | 120.7 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -142.8 | 118.7 | 156.9 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | S334 | S334-V336 PolarHBondContact O-N 3.41Š| ||
| 337 | D | 34.3 | Very low | 40.7 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 158.7 | 169.5 | 175.6 | 33.9 | 0 | 0 | 0 | 111.3 | ||||
| 338 | G | 34 | Very low | 40 | Very low | 59 Ų | 59 | 123.4 Ų | 123.4 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | trans | 115.3 | 91.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 339 | S | 38.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | 59.4 | 130.8 | 119.7 | -153.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 340 | A | 37.6 | Very low | 38.9 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 72.8 | 131.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 341 | G | 31.7 | Very low | 39.2 | Very low | 82 Ų | 82 | 120.7 Ų | 120.7 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 172.9 | 98.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 342 | A | 37.3 | Very low | 39.5 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -98.7 | 165.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 343 | E | 32.8 | Very low | 40.1 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | 70.5 | 145.4 | 170.6 | -56.4 | -164.3 | -164.3 | 0 | 0 | 116 | ||||
| 344 | R | 38 | Very low | 40.4 | Very low | 215 Ų | 215 | 123.6 Ų | 123.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | cis | -157.5 | 173.5 | -4.2 | -120.2 | 179.3 | 164.6 | 177.4 | -5.5 | 109 | ||||
| 345 | P | 41.4 | Very low | 42.1 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 148 | -163.6 | 33 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 346 | A | 36.6 | Very low | 43.6 | Very low | 104 Ų | 104 | 115.7 Ų | 115.7 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 132.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 347 | Q | 38 | Very low | 45.3 | Very low | 193 Ų | 193 | 115 Ų | 115 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 152.3 | 178.2 | -70.7 | 177.4 | -24.2 | 0 | 0 | 112.1 | ||
| 348 | A | 42.6 | Very low | 47.4 | Very low | 105 Ų | 105 | 112.1 Ų | 112.1 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 146.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 349 | A | 37.2 | Very low | 49.9 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -104.7 | 141.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 350 | P | 48 | Very low | 52.3 | Low | 131 Ų | 131 | 116.9 Ų | 116.9 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -78.3 | 126.2 | -177.3 | 31.3 | -33 | 0 | 0 | 0 | 110.8 | ||||
| 351 | S | 45 | Very low | 54.6 | Low | 93 Ų | 93 | 117.6 Ų | 117.6 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | trans | -105.3 | 121.7 | 168.7 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | G353 N354 | S351-G353 PolarHBondContact O-N 2.96Å; S351-N354 WeakPolarHBondContact O-CB 3.4Å; S351-N354 PolarHBondContact O-N 3.46Å | ||
| 352 | E | 51.8 | Low | 57.4 | Low | 190 Ų | 190 | 120.9 Ų | 120.9 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -14.3 | -177.9 | -64.7 | 171.9 | 123.8 | 0 | 0 | 113.3 | N354 | E352-N354 PolarHBondContact O-N 3.49Š|
| 353 | G | 51.3 | Low | 60 | Low | 41 Ų | 41 | 122.5 Ų | 122.5 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -63 | -19.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S351 G355 V356 | S351-G353 PolarHBondContact O-N 2.96Å; G353-G355 VanDerWaalsContact C-N 3.34Å; G353-G355 PolarHBondContact O-N 3.08Å; G353-V356 PolarHBondContact O-N 3.33Å |
| 354 | N | 53.2 | Low | 62.7 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.5 | -37.1 | -178.6 | -146.4 | 42.2 | 0 | 0 | 0 | 111.9 | S351 E352 V356 L357 E358 | S351-N354 WeakPolarHBondContact O-CB 3.4Å; S351-N354 PolarHBondContact O-N 3.46Å; E352-N354 PolarHBondContact O-N 3.49Å; N354-V356 PolarHBondContact O-N 3.31Å; N354-L357 PolarHBondContact O-N 3.07Å; N354-E358 VanDerWaalsContact O-CB 3.31Å; N354-E358 WeakPolarHBondContact O-CB 3.43Å; N354-E358 PolarHBondContact O-N 2.98Å |
| 355 | G | 70.4 | Confident | 65.3 | Low | 31 Ų | 31 | 112.3 Ų | 112.3 | 32% | 0.32 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.2 | -35.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G353 E358 I359 | G353-G355 VanDerWaalsContact C-N 3.34Å; G353-G355 PolarHBondContact O-N 3.08Å; G355-E358 PolarHBondContact O-N 3.28Å; G355-I359 WeakPolarHBondContact O-CB 3.46Å; G355-I359 WeakPolarHBondContact O-CD1 3.45Å; G355-I359 WeakPolarHBondContact O-CG1 3.43Å; G355-I359 PolarHBondContact O-N 3.18Å |
| 356 | V | 75.3 | Confident | 67.7 | Low | 99 Ų | 99 | 111 Ų | 111 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -41 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | G353 N354 R360 | G353-V356 PolarHBondContact O-N 3.33Å; N354-V356 PolarHBondContact O-N 3.31Å; V356-R360 WeakPolarHBondContact O-CB 3.24Å; V356-R360 PolarHBondContact O-N 2.89Å; V356-R360 VanDerWaalsContact O-N 3.09Å |
| 357 | L | 77 | Confident | 70.5 | Confident | 114 Ų | 114 | 111.4 Ų | 111.4 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.1 | -40.1 | 175.1 | -69.1 | 175.1 | 0 | 0 | 0 | 111.4 | N354 R360 L361 | N354-L357 PolarHBondContact O-N 3.07Å; L357-R360 PolarHBondContact O-N 3.09Å; L357-L361 VanDerWaalsContact O-CB 3.3Å; L357-L361 WeakPolarHBondContact O-CB 3.31Å; L357-L361 PolarHBondContact O-N 2.99Å |
| 358 | E | 78.4 | Confident | 73.1 | Confident | 101 Ų | 101 | 109.6 Ų | 109.6 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 177.3 | -170.9 | 173.5 | -174.1 | 0 | 0 | 112.3 | N354 G355 R360 L361 R362 | N354-E358 VanDerWaalsContact O-CB 3.31Å; N354-E358 WeakPolarHBondContact O-CB 3.43Å; N354-E358 PolarHBondContact O-N 2.98Å; G355-E358 PolarHBondContact O-N 3.28Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.05Å; E358-L361 PolarHBondContact O-N 3.09Å; E358-R362 WeakPolarHBondContact O-CB 3.29Å; E358-R362 PolarHBondContact O-N 2.95Å |
| 359 | I | 85.8 | Confident | 75.5 | Confident | 108 Ų | 108 | 109.7 Ų | 109.7 | 55% | 0.554 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 171.9 | -70.3 | 162.8 | 0 | 0 | 0 | 111.1 | G355 R362 K363 | G355-I359 WeakPolarHBondContact O-CB 3.46Å; G355-I359 WeakPolarHBondContact O-CD1 3.45Å; G355-I359 WeakPolarHBondContact O-CG1 3.43Å; G355-I359 PolarHBondContact O-N 3.18Å; I359-R362 PolarHBondContact O-N 3.38Å; I359-K363 WeakPolarHBondContact O-CG 3.27Å; I359-K363 PolarHBondContact O-N 3.37Å |
| 360 | R | 88.1 | Confident | 78.2 | Confident | 174 Ų | 174 | 111.8 Ų | 111.8 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.6 | -37.9 | 179.7 | -155.9 | 173 | -164 | 159.9 | 2.8 | 111.7 | V356 L357 E358 L364 | V356-R360 WeakPolarHBondContact O-CB 3.24Å; V356-R360 PolarHBondContact O-N 2.89Å; V356-R360 VanDerWaalsContact O-N 3.09Å; L357-R360 PolarHBondContact O-N 3.09Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.05Å; R360-L364 WeakPolarHBondContact O-CG 3.31Å; R360-L364 PolarHBondContact O-N 3.16Å; R360-L364 VanDerWaalsContact O-N 3.15Å |
| 361 | L | 86.2 | Confident | 80.4 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 174.1 | -164.5 | 72.8 | 0 | 0 | 0 | 110.8 | L357 E358 L364 V365 | L357-L361 VanDerWaalsContact O-CB 3.3Å; L357-L361 WeakPolarHBondContact O-CB 3.31Å; L357-L361 PolarHBondContact O-N 2.99Å; E358-L361 PolarHBondContact O-N 3.09Å; L361-L364 PolarHBondContact O-N 3.05Å; L361-V365 WeakPolarHBondContact O-CG2 3.42Å; L361-V365 PolarHBondContact O-N 2.98Å |
| 362 | R | 90.1 | Very high | 82.7 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | 175.5 | -170.7 | 142.9 | -66.3 | 149.4 | 11.6 | 111.7 | E358 I359 L364 V365 D366 | E358-R362 WeakPolarHBondContact O-CB 3.29Å; E358-R362 PolarHBondContact O-N 2.95Å; I359-R362 PolarHBondContact O-N 3.38Å; R362-L364 VanDerWaalsContact C-N 3.32Å; R362-L364 PolarHBondContact O-N 3.27Å; R362-V365 CarbonylContact O-C 3.59Å; R362-V365 WeakPolarHBondContact O-CA 3.31Å; R362-V365 WeakPolarHBondContact O-CB 3.4Å; R362-V365 PolarHBondContact O-N 3.08Å; R362-D366 PolarHBondContact O-N 3.3Å |
| 363 | K | 92.4 | Very high | 84.7 | Confident | 127 Ų | 127 | 106.7 Ų | 106.7 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.1 | -41.4 | 174.7 | -74.5 | -177 | 176.9 | -173.5 | 0 | 113.5 | I359 V365 D366 E367 | I359-K363 WeakPolarHBondContact O-CG 3.27Å; I359-K363 PolarHBondContact O-N 3.37Å; K363-V365 VanDerWaalsContact C-N 3.33Å; K363-D366 PolarHBondContact O-N 2.89Å; K363-E367 WeakPolarHBondContact O-CB 3.38Å; K363-E367 WeakPolarHBondContact O-CG 3.34Å; K363-E367 PolarHBondContact O-N 3.43Å |
| 364 | L | 90.1 | Very high | 86.7 | Confident | 104 Ų | 104 | 110 Ų | 110 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 176.4 | -71.5 | 170.6 | 0 | 0 | 0 | 112.6 | R360 L361 R362 R368 | R360-L364 WeakPolarHBondContact O-CG 3.31Å; R360-L364 PolarHBondContact O-N 3.16Å; R360-L364 VanDerWaalsContact O-N 3.15Å; L361-L364 PolarHBondContact O-N 3.05Å; R362-L364 VanDerWaalsContact C-N 3.32Å; R362-L364 PolarHBondContact O-N 3.27Å; L364-R368 VanDerWaalsContact O-CB 3.24Å; L364-R368 WeakPolarHBondContact O-CB 3.49Å; L364-R368 PolarHBondContact O-N 3.48Å |
| 365 | V | 91.9 | Very high | 88.6 | Confident | 63 Ų | 63 | 110.1 Ų | 110.1 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -46.5 | 171.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L361 R362 K363 E367 R368 E369 | L361-V365 WeakPolarHBondContact O-CG2 3.42Å; L361-V365 PolarHBondContact O-N 2.98Å; R362-V365 CarbonylContact O-C 3.59Å; R362-V365 WeakPolarHBondContact O-CA 3.31Å; R362-V365 WeakPolarHBondContact O-CB 3.4Å; R362-V365 PolarHBondContact O-N 3.08Å; K363-V365 VanDerWaalsContact C-N 3.33Å; V365-E367 VanDerWaalsContact C-N 3.34Å; V365-E367 PolarHBondContact O-N 2.88Å; V365-R368 WeakPolarHBondContact O-CB 3.47Å; V365-R368 PolarHBondContact O-N 3.09Å; V365-R368 VanDerWaalsContact O-N 3.14Å; V365-E369 HydrophobicContact CG1-CG 4.47Å; V365-E369 WeakPolarHBondContact O-CG 3.42Å; V365-E369 PolarHBondContact O-N 3.15Å |
| 366 | D | 93.3 | Very high | 89.7 | Confident | 83 Ų | 83 | 115.5 Ų | 115.5 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.5 | -54.6 | -26.2 | 0 | 0 | 0 | 111.3 | R362 K363 E369 K370 | R362-D366 PolarHBondContact O-N 3.3Å; K363-D366 PolarHBondContact O-N 2.89Å; D366-E369 PolarHBondContact O-N 3.27Å; D366-K370 WeakPolarHBondContact O-CB 3.34Å; D366-K370 PolarHBondContact O-N 2.85Å |
| 367 | E | 93.4 | Very high | 90.5 | Very high | 114 Ų | 114 | 116.5 Ų | 116.5 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 174.4 | -75.9 | 172.8 | -171.2 | 0 | 0 | 112.2 | K363 V365 K370 M371 | K363-E367 WeakPolarHBondContact O-CB 3.38Å; K363-E367 WeakPolarHBondContact O-CG 3.34Å; K363-E367 PolarHBondContact O-N 3.43Å; V365-E367 VanDerWaalsContact C-N 3.34Å; V365-E367 PolarHBondContact O-N 2.88Å; E367-K370 PolarHBondContact O-N 3.31Å; E367-M371 WeakPolarHBondContact O-CG 3.39Å; E367-M371 PolarHBondContact O-N 3.21Å |
| 368 | R | 92.8 | Very high | 91 | Very high | 154 Ų | 154 | 116.4 Ų | 116.4 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 174.3 | 176.3 | -178.2 | 177.5 | -88.1 | 1.6 | 111.7 | L364 V365 M371 I372 | L364-R368 VanDerWaalsContact O-CB 3.24Å; L364-R368 WeakPolarHBondContact O-CB 3.49Å; L364-R368 PolarHBondContact O-N 3.48Å; V365-R368 WeakPolarHBondContact O-CB 3.47Å; V365-R368 PolarHBondContact O-N 3.09Å; V365-R368 VanDerWaalsContact O-N 3.14Å; R368-M371 PolarHBondContact O-N 3.41Å; R368-I372 HydrophobicContact CG-CD1 3.96Å; R368-I372 VanDerWaalsContact O-CG1 3.29Å; R368-I372 WeakPolarHBondContact O-CG1 3.41Å; R368-I372 PolarHBondContact O-N 3.44Å |
| 369 | E | 94.1 | Very high | 91.5 | Very high | 108 Ų | 108 | 118 Ų | 118 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.9 | -73.2 | -176.4 | 174.4 | 0 | 0 | 111 | V365 D366 M371 I372 E373 | V365-E369 HydrophobicContact CG1-CG 4.47Å; V365-E369 WeakPolarHBondContact O-CG 3.42Å; V365-E369 PolarHBondContact O-N 3.15Å; D366-E369 PolarHBondContact O-N 3.27Å; E369-M371 VanDerWaalsContact C-N 3.34Å; E369-M371 PolarHBondContact O-N 3.26Å; E369-I372 WeakPolarHBondContact O-CB 3.41Å; E369-I372 PolarHBondContact O-N 3.46Å; E369-I372 VanDerWaalsContact O-N 3.09Å; E369-E373 WeakPolarHBondContact O-CG 3.3Å; E369-E373 PolarHBondContact O-N 2.79Å |
| 370 | K | 94.6 | Very high | 91.4 | Very high | 135 Ų | 135 | 115 Ų | 115 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 173.2 | -174.1 | 179 | -179.7 | -178.7 | 0 | 113.1 | D366 E367 E373 Q374 | D366-K370 WeakPolarHBondContact O-CB 3.34Å; D366-K370 PolarHBondContact O-N 2.85Å; E367-K370 PolarHBondContact O-N 3.31Å; K370-E373 PolarHBondContact O-N 3.48Å; K370-Q374 WeakPolarHBondContact O-CG 3.48Å; K370-Q374 PolarHBondContact O-N 2.85Å |
| 371 | M | 92.7 | Very high | 91.2 | Very high | 116 Ų | 116 | 111.2 Ų | 111.2 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69 | -36.4 | 174.2 | -73.6 | -155.4 | -65.8 | 0 | 0 | 112.6 | E367 R368 E369 E373 Q374 I375 | E367-M371 WeakPolarHBondContact O-CG 3.39Å; E367-M371 PolarHBondContact O-N 3.21Å; R368-M371 PolarHBondContact O-N 3.41Å; E369-M371 VanDerWaalsContact C-N 3.34Å; E369-M371 PolarHBondContact O-N 3.26Å; M371-E373 VanDerWaalsContact C-N 3.32Å; M371-E373 PolarHBondContact O-N 3.01Å; M371-Q374 PolarHBondContact O-N 3.4Å; M371-I375 VanDerWaalsContact O-CG1 3.31Å; M371-I375 WeakPolarHBondContact O-CG1 3.38Å; M371-I375 PolarHBondContact O-N 2.86Å |
| 372 | I | 93.7 | Very high | 90.6 | Very high | 58 Ų | 58 | 110.5 Ų | 110.5 | 30% | 0.297 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 173.7 | -72 | 165.1 | 0 | 0 | 0 | 111 | R368 E369 I375 K376 | R368-I372 HydrophobicContact CG-CD1 3.96Å; R368-I372 VanDerWaalsContact O-CG1 3.29Å; R368-I372 WeakPolarHBondContact O-CG1 3.41Å; R368-I372 PolarHBondContact O-N 3.44Å; E369-I372 WeakPolarHBondContact O-CB 3.41Å; E369-I372 PolarHBondContact O-N 3.46Å; E369-I372 VanDerWaalsContact O-N 3.09Å; I372-I375 PolarHBondContact O-N 3.5Å; I372-K376 HydrophobicContact CG2-CD 4.43Å; I372-K376 WeakPolarHBondContact O-CG 3.42Å; I372-K376 PolarHBondContact O-N 3.06Å |
| 373 | E | 94.1 | Very high | 90 | Very high | 132 Ų | 132 | 107.8 Ų | 107.8 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 174.4 | -70.7 | -176.4 | 153.1 | 0 | 0 | 112.5 | E369 K370 M371 K376 K377 | E369-E373 WeakPolarHBondContact O-CG 3.3Å; E369-E373 PolarHBondContact O-N 2.79Å; K370-E373 PolarHBondContact O-N 3.48Å; M371-E373 VanDerWaalsContact C-N 3.32Å; M371-E373 PolarHBondContact O-N 3.01Å; E373-K376 PolarHBondContact O-N 3.03Å; E373-K377 WeakPolarHBondContact O-CB 3.35Å; E373-K377 PolarHBondContact O-N 3.27Å |
| 374 | Q | 93.4 | Very high | 88.8 | Confident | 112 Ų | 112 | 107.8 Ų | 107.8 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 172.4 | -74.6 | -178.2 | -28.9 | 0 | 0 | 112 | K370 M371 K377 L378 | K370-Q374 WeakPolarHBondContact O-CG 3.48Å; K370-Q374 PolarHBondContact O-N 2.85Å; M371-Q374 PolarHBondContact O-N 3.4Å; Q374-K377 PolarHBondContact O-N 3.32Å; Q374-L378 WeakPolarHBondContact O-CB 3.42Å; Q374-L378 WeakPolarHBondContact O-CG 3.36Å; Q374-L378 PolarHBondContact O-N 3.16Å |
| 375 | I | 92.1 | Very high | 87.3 | Confident | 112 Ų | 112 | 110.7 Ų | 110.7 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 175.8 | -69.4 | 164.8 | 0 | 0 | 0 | 110.7 | M371 I372 K377 L378 K379 | M371-I375 VanDerWaalsContact O-CG1 3.31Å; M371-I375 WeakPolarHBondContact O-CG1 3.38Å; M371-I375 PolarHBondContact O-N 2.86Å; I372-I375 PolarHBondContact O-N 3.5Å; I375-K377 VanDerWaalsContact C-N 3.32Å; I375-K377 PolarHBondContact O-N 3.12Å; I375-L378 PolarHBondContact O-N 3.15Å; I375-K379 VanDerWaalsContact O-CB 3.27Å; I375-K379 WeakPolarHBondContact O-CB 3.28Å; I375-K379 PolarHBondContact O-N 3.35Å |
| 376 | K | 93.6 | Very high | 85.6 | Confident | 144 Ų | 144 | 113.8 Ų | 113.8 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -41 | 174.2 | -76.8 | 176.9 | 178.7 | 177.2 | 0 | 112 | I372 E373 S380 | I372-K376 HydrophobicContact CG2-CD 4.43Å; I372-K376 WeakPolarHBondContact O-CG 3.42Å; I372-K376 PolarHBondContact O-N 3.06Å; E373-K376 PolarHBondContact O-N 3.03Å; K376-S380 WeakPolarHBondContact O-CB 3.46Å; K376-S380 PolarHBondContact O-N 3.24Å |
| 377 | K | 93.1 | Very high | 83.6 | Confident | 121 Ų | 121 | 113.1 Ų | 113.1 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.5 | -43.6 | 180 | -175.8 | 57.5 | 178.5 | 174.9 | 0 | 112.3 | E373 Q374 I375 S380 Q381 | E373-K377 WeakPolarHBondContact O-CB 3.35Å; E373-K377 PolarHBondContact O-N 3.27Å; Q374-K377 PolarHBondContact O-N 3.32Å; I375-K377 VanDerWaalsContact C-N 3.32Å; I375-K377 PolarHBondContact O-N 3.12Å; K377-S380 PolarHBondContact O-N 3.04Å; K377-Q381 WeakPolarHBondContact O-CG 3.15Å; K377-Q381 PolarHBondContact O-N 2.88Å |
| 378 | L | 87.5 | Confident | 81.5 | Confident | 112 Ų | 112 | 111.5 Ų | 111.5 | 59% | 0.586 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -41.5 | 175.4 | -71.6 | 169.8 | 0 | 0 | 0 | 111.4 | Q374 I375 Q381 L382 | Q374-L378 WeakPolarHBondContact O-CB 3.42Å; Q374-L378 WeakPolarHBondContact O-CG 3.36Å; Q374-L378 PolarHBondContact O-N 3.16Å; I375-L378 PolarHBondContact O-N 3.15Å; L378-Q381 WeakPolarHBondContact O-CB 3.27Å; L378-Q381 PolarHBondContact O-N 2.92Å; L378-Q381 VanDerWaalsContact O-N 3.09Å; L378-L382 PolarHBondContact O-N 3.01Å |
| 379 | K | 89 | Confident | 79 | Confident | 133 Ų | 133 | 110.8 Ų | 110.8 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.9 | -45.5 | 175.4 | -166.6 | 174.1 | -177.6 | 178.8 | 0 | 111.7 | I375 Q381 L382 D383 | I375-K379 VanDerWaalsContact O-CB 3.27Å; I375-K379 WeakPolarHBondContact O-CB 3.28Å; I375-K379 PolarHBondContact O-N 3.35Å; K379-Q381 PolarHBondContact O-N 3.2Å; K379-L382 WeakPolarHBondContact O-CB 3.47Å; K379-L382 PolarHBondContact O-N 3.45Å; K379-D383 VanDerWaalsContact O-CG 3.25Å; K379-D383 PolarHBondContact O-N 3.2Å |
| 380 | S | 84.2 | Confident | 76.8 | Confident | 45 Ų | 45 | 110.1 Ų | 110.1 | 32% | 0.315 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.5 | -24.9 | 173 | 172.2 | 0 | 0 | 0 | 0 | 114 | K376 K377 Q384 | K376-S380 WeakPolarHBondContact O-CB 3.46Å; K376-S380 PolarHBondContact O-N 3.24Å; K377-S380 PolarHBondContact O-N 3.04Å; S380-Q384 WeakPolarHBondContact O-CB 3.33Å; S380-Q384 VanDerWaalsContact O-CG 3.23Å; S380-Q384 WeakPolarHBondContact O-CG 3.44Å; S380-Q384 PolarHBondContact O-N 3.14Å |
| 381 | Q | 82.1 | Confident | 74.3 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 44% | 0.444 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -79.7 | -30.7 | 173.3 | -75.9 | 173 | -20.3 | 0 | 0 | 112.1 | K377 L378 K379 K385 | K377-Q381 WeakPolarHBondContact O-CG 3.15Å; K377-Q381 PolarHBondContact O-N 2.88Å; L378-Q381 WeakPolarHBondContact O-CB 3.27Å; L378-Q381 PolarHBondContact O-N 2.92Å; L378-Q381 VanDerWaalsContact O-N 3.09Å; K379-Q381 PolarHBondContact O-N 3.2Å; Q381-K385 PolarHBondContact O-N 2.92Å |
| 382 | L | 73.6 | Confident | 71.6 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.7 | -49.4 | 173.2 | -167.5 | 66.5 | 0 | 0 | 0 | 110.7 | L378 K379 Q384 K385 D386 | L378-L382 PolarHBondContact O-N 3.01Å; K379-L382 WeakPolarHBondContact O-CB 3.47Å; K379-L382 PolarHBondContact O-N 3.45Å; L382-Q384 PolarHBondContact O-N 3.39Å; L382-Q384 VanDerWaalsContact O-N 3.15Å; L382-K385 WeakPolarHBondContact O-CA 3.33Å; L382-K385 WeakPolarHBondContact O-CB 3.25Å; L382-K385 PolarHBondContact O-N 3.05Å; L382-D386 PolarHBondContact O-N 3.43Å |
| 383 | D | 77.8 | Confident | 68.7 | Low | 94 Ų | 94 | 109.5 Ų | 109.5 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -58.8 | -29.9 | 176.1 | -60.1 | -27.9 | 0 | 0 | 0 | 112 | K379 G387 | K379-D383 VanDerWaalsContact O-CG 3.25Å; K379-D383 PolarHBondContact O-N 3.2Å; D383-G387 PolarHBondContact O-N 2.95Å |
| 384 | Q | 67.4 | Low | 67.1 | Low | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.4 | -24.4 | 172.5 | -79.9 | 177.6 | 15 | 0 | 0 | 114.1 | S380 L382 A388 | S380-Q384 WeakPolarHBondContact O-CB 3.33Å; S380-Q384 VanDerWaalsContact O-CG 3.23Å; S380-Q384 WeakPolarHBondContact O-CG 3.44Å; S380-Q384 PolarHBondContact O-N 3.14Å; L382-Q384 PolarHBondContact O-N 3.39Å; L382-Q384 VanDerWaalsContact O-N 3.15Å; Q384-A388 VanDerWaalsContact O-CB 3.27Å; Q384-A388 WeakPolarHBondContact O-CB 3.4Å |
| 385 | K | 59.5 | Low | 64.5 | Low | 165 Ų | 165 | 112 Ų | 112 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.7 | -43.3 | 171.3 | -103.6 | -174.2 | 169.9 | -172.2 | 0 | 111.2 | Q381 L382 G387 A388 | Q381-K385 PolarHBondContact O-N 2.92Å; L382-K385 WeakPolarHBondContact O-CA 3.33Å; L382-K385 WeakPolarHBondContact O-CB 3.25Å; L382-K385 PolarHBondContact O-N 3.05Å; K385-G387 VanDerWaalsContact C-N 3.28Å; K385-G387 PolarHBondContact O-N 3.45Å; K385-A388 PolarHBondContact O-N 3.04Å |
| 386 | D | 55.7 | Low | 61.8 | Low | 127 Ų | 127 | 109.5 Ų | 109.5 | 68% | 0.679 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.6 | -22.2 | 179.3 | -61.4 | -31.5 | 0 | 0 | 0 | 112.3 | L382 | L382-D386 PolarHBondContact O-N 3.43Å |
| 387 | G | 50.7 | Low | 59.1 | Low | 69 Ų | 69 | 112 Ų | 112 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -1.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D383 K385 | D383-G387 PolarHBondContact O-N 2.95Å; K385-G387 VanDerWaalsContact C-N 3.28Å; K385-G387 PolarHBondContact O-N 3.45Å |
| 388 | A | 49.6 | Very low | 56.8 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -139.5 | 33.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q384 K385 | Q384-A388 VanDerWaalsContact O-CB 3.27Å; Q384-A388 WeakPolarHBondContact O-CB 3.4Å; K385-A388 PolarHBondContact O-N 3.04Å |
| 389 | D | 40.8 | Very low | 54.6 | Low | 138 Ų | 138 | 111.6 Ų | 111.6 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | trans | -140.2 | 76.4 | 159.1 | -158.8 | 0.9 | 0 | 0 | 0 | 112.8 | G391 | D389-G391 PolarHBondContact O-N 2.98Å; D389-G391 VanDerWaalsContact O-N 3.07Å | ||
| 390 | G | 47.9 | Very low | 52.4 | Low | 94 Ų | 94 | 113.4 Ų | 113.4 | 97% | 0.969 | 70% | 0.703 | S | S | * | * | trans | -79.6 | 52.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 391 | G | 42.5 | Very low | 50.3 | Low | 60 Ų | 60 | 119.2 Ų | 119.2 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | trans | 116.4 | 111.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | D389 | D389-G391 PolarHBondContact O-N 2.98Å; D389-G391 VanDerWaalsContact O-N 3.07Å | ||
| 392 | S | 35.1 | Very low | 48.2 | Very low | 116 Ų | 116 | 117.9 Ų | 117.9 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | -157.5 | 163.4 | 112.1 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 393 | S | 33.8 | Very low | 47.4 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 165.8 | -168 | -108.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 394 | P | 60.8 | Low | 46.5 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -100.7 | 155.1 | -154.4 | 38.9 | -37.1 | 0 | 0 | 0 | 116.2 | ||||
| 395 | D | 37.9 | Very low | 46.7 | Very low | 174 Ų | 174 | 116.7 Ų | 116.7 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | -166 | 137.1 | 158.9 | -154.1 | 26.6 | 0 | 0 | 0 | 106 | ||||
| 396 | G | 36 | Very low | 47.4 | Very low | 60 Ų | 60 | 113.7 Ų | 113.7 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | cis | -176.8 | 175.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 397 | E | 37 | Very low | 48.4 | Very low | 197 Ų | 197 | 112.6 Ų | 112.6 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | 71.4 | 143.3 | 177.4 | -60 | -161.8 | 127.7 | 0 | 0 | 120.3 | ||||
| 398 | V | 44.4 | Very low | 49.8 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | -167.7 | 135.8 | -50.1 | 131.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 399 | A | 40 | Very low | 51.3 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | 173.1 | 75.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 400 | E | 43.5 | Very low | 53.5 | Low | 172 Ų | 172 | 113.8 Ų | 113.8 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | 75.1 | 80.8 | 91.6 | -167.8 | 176.5 | -149.1 | 0 | 0 | 113.4 | |||||
| 401 | N | 41 | Very low | 55.4 | Low | 166 Ų | 166 | 115.6 Ų | 115.6 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | -172.8 | 111.3 | 122.5 | -99.4 | -58.1 | 0 | 0 | 0 | 110.5 | |||||
| 402 | G | 37.9 | Very low | 57.6 | Low | 67 Ų | 67 | 120.3 Ų | 120.3 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | trans | 160.9 | 25.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D404 | G402-D404 PolarHBondContact O-N 3.18Š| ||
| 403 | N | 57 | Low | 60.2 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | trans | -82 | 62.6 | -176.3 | -164.3 | 82 | 0 | 0 | 0 | 110.8 | P405 | N403-P405 WeakPolarHBondContact O-CD 3.39Š| ||
| 404 | D | 58.1 | Low | 62.8 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 39% | 0.39 | 64% | 0.641 | S | S | . | * | trans | -78.7 | 112.1 | 170.5 | -174.5 | -4.3 | 0 | 0 | 0 | 108.9 | G402 N406 I407 | G402-D404 PolarHBondContact O-N 3.18Å; D404-N406 PolarHBondContact O-N 3.42Å; D404-N406 VanDerWaalsContact O-N 3.14Å; D404-N406 WeakPolarHBondContact OD1-CB 3.44Å; D404-N406 PolarHBondContact OD1-N 2.97Å; D404-I407 HydrophobicContact CB-CD1 3.99Å; D404-I407 HydrophobicContact CB-CG1 4.06Å; D404-I407 PolarHBondContact O-N 2.78Å | ||
| 405 | P | 70.9 | Confident | 64.3 | Low | 88 Ų | 88 | 111.7 Ų | 111.7 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.7 | -28.7 | 179.4 | 24 | -33.9 | 0 | 0 | 0 | 112.5 | N403 I407 M408 E409 | N403-P405 WeakPolarHBondContact O-CD 3.39Å; P405-I407 PolarHBondContact O-N 3.14Å; P405-M408 PolarHBondContact O-N 3.44Å; P405-E409 WeakPolarHBondContact O-CB 3.35Å; P405-E409 PolarHBondContact O-N 3.32Å |
| 406 | N | 75.6 | Confident | 67.1 | Low | 102 Ų | 102 | 111 Ų | 111 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.3 | -38 | -179.4 | -167 | 13.9 | 0 | 0 | 0 | 112.4 | D404 E409 L410 | D404-N406 PolarHBondContact O-N 3.42Å; D404-N406 VanDerWaalsContact O-N 3.14Å; D404-N406 WeakPolarHBondContact OD1-CB 3.44Å; D404-N406 PolarHBondContact OD1-N 2.97Å; N406-E409 PolarHBondContact O-N 2.89Å; N406-L410 VanDerWaalsContact O-CB 3.27Å; N406-L410 WeakPolarHBondContact O-CB 3.19Å; N406-L410 PolarHBondContact O-N 3.47Å |
| 407 | I | 76.4 | Confident | 69.9 | Low | 104 Ų | 104 | 114 Ų | 114 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -43.7 | -178.7 | -63.1 | 177.3 | 0 | 0 | 0 | 110.8 | D404 P405 E409 Q411 | D404-I407 HydrophobicContact CB-CD1 3.99Å; D404-I407 HydrophobicContact CB-CG1 4.06Å; D404-I407 PolarHBondContact O-N 2.78Å; P405-I407 PolarHBondContact O-N 3.14Å; I407-E409 VanDerWaalsContact C-N 3.35Å; I407-Q411 WeakPolarHBondContact O-CB 3.39Å; I407-Q411 PolarHBondContact O-N 3Å |
| 408 | M | 79.4 | Confident | 72.6 | Confident | 74 Ų | 74 | 108.4 Ų | 108.4 | 37% | 0.365 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.1 | -32 | 176.4 | -72.1 | -165.7 | -78.6 | 0 | 0 | 112.8 | P405 R412 | P405-M408 PolarHBondContact O-N 3.44Å; M408-R412 WeakPolarHBondContact O-CG 3.23Å; M408-R412 PolarHBondContact O-N 2.75Å; M408-R412 VanDerWaalsContact O-N 3.16Å; M408-R412 PolarHBondContact O-NH1 3.21Å |
| 409 | E | 82.4 | Confident | 75.1 | Confident | 118 Ų | 118 | 106.5 Ų | 106.5 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.3 | -48.7 | 174.8 | -170.6 | 159 | -145.1 | 0 | 0 | 110.8 | P405 N406 I407 Q411 R412 D413 | P405-E409 WeakPolarHBondContact O-CB 3.35Å; P405-E409 PolarHBondContact O-N 3.32Å; N406-E409 PolarHBondContact O-N 2.89Å; I407-E409 VanDerWaalsContact C-N 3.35Å; E409-Q411 VanDerWaalsContact C-N 3.29Å; E409-Q411 PolarHBondContact O-N 3.16Å; E409-R412 PolarHBondContact O-N 3.02Å; E409-D413 PolarHBondContact O-N 3.43Å |
| 410 | L | 86.1 | Confident | 77.7 | Confident | 122 Ų | 122 | 106.3 Ų | 106.3 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.9 | -38.9 | 175 | -172 | 67.8 | 0 | 0 | 0 | 112.5 | N406 S414 | N406-L410 VanDerWaalsContact O-CB 3.27Å; N406-L410 WeakPolarHBondContact O-CB 3.19Å; N406-L410 PolarHBondContact O-N 3.47Å; L410-S414 WeakPolarHBondContact O-CB 3.39Å; L410-S414 PolarHBondContact O-N 3.48Å |
| 411 | Q | 87.1 | Confident | 80.2 | Confident | 132 Ų | 132 | 103.5 Ų | 103.5 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.1 | -36.7 | 175.9 | -169.6 | 176.9 | 5.5 | 0 | 0 | 112.4 | I407 E409 S415 | I407-Q411 WeakPolarHBondContact O-CB 3.39Å; I407-Q411 PolarHBondContact O-N 3Å; E409-Q411 VanDerWaalsContact C-N 3.29Å; E409-Q411 PolarHBondContact O-N 3.16Å; Q411-S415 WeakPolarHBondContact O-CB 3.28Å; Q411-S415 PolarHBondContact O-N 2.85Å; Q411-S415 PolarHBondContact O-OG 3.33Å |
| 412 | R | 89.3 | Confident | 82.7 | Confident | 159 Ų | 159 | 101.6 Ų | 101.6 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.3 | -43.1 | 174.1 | -74.9 | -177.5 | -165.6 | 96.2 | 1.2 | 111.9 | M408 E409 S415 R416 | M408-R412 WeakPolarHBondContact O-CG 3.23Å; M408-R412 PolarHBondContact O-N 2.75Å; M408-R412 VanDerWaalsContact O-N 3.16Å; M408-R412 PolarHBondContact O-NH1 3.21Å; E409-R412 PolarHBondContact O-N 3.02Å; R412-S415 WeakPolarHBondContact O-CB 3.19Å; R412-S415 PolarHBondContact O-N 2.89Å; R412-R416 PolarHBondContact O-N 2.93Å |
| 413 | D | 89.9 | Confident | 85.5 | Confident | 63 Ų | 63 | 105.3 Ų | 105.3 | 34% | 0.337 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 178.7 | -87.2 | -14.9 | 0 | 0 | 0 | 112.3 | E409 S415 R416 Q417 | E409-D413 PolarHBondContact O-N 3.43Å; D413-S415 VanDerWaalsContact C-N 3.32Å; D413-S415 PolarHBondContact O-N 3.11Å; D413-R416 PolarHBondContact O-N 3.26Å; D413-R416 IonicContact OD1-NH1 3.56Å; D413-R416 PolarHBondContact OD1-NH1 2.88Å; D413-Q417 WeakPolarHBondContact O-CB 3.41Å; D413-Q417 VanDerWaalsContact O-CG 3.27Å; D413-Q417 WeakPolarHBondContact O-CG 3.42Å; D413-Q417 PolarHBondContact O-N 3.27Å |
| 414 | S | 88.9 | Confident | 87.4 | Confident | 55 Ų | 55 | 105.1 Ų | 105.1 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.3 | -46 | 168.2 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L410 R416 Q417 I418 | L410-S414 WeakPolarHBondContact O-CB 3.39Å; L410-S414 PolarHBondContact O-N 3.48Å; S414-R416 PolarHBondContact O-N 3.28Å; S414-Q417 PolarHBondContact O-N 3.01Å; S414-I418 WeakPolarHBondContact O-CB 3.42Å; S414-I418 WeakPolarHBondContact O-CD1 3.47Å; S414-I418 VanDerWaalsContact O-CG1 3.24Å; S414-I418 WeakPolarHBondContact O-CG1 3.45Å; S414-I418 PolarHBondContact O-N 3.46Å |
| 415 | S | 92.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 106.3 Ų | 106.3 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | Q411 R412 D413 N419 | Q411-S415 WeakPolarHBondContact O-CB 3.28Å; Q411-S415 PolarHBondContact O-N 2.85Å; Q411-S415 PolarHBondContact O-OG 3.33Å; R412-S415 WeakPolarHBondContact O-CB 3.19Å; R412-S415 PolarHBondContact O-N 2.89Å; D413-S415 VanDerWaalsContact C-N 3.32Å; D413-S415 PolarHBondContact O-N 3.11Å; S415-N419 VanDerWaalsContact O-CG 3.28Å; S415-N419 PolarHBondContact O-N 3.02Å; S415-N419 VanDerWaalsContact O-N 3.09Å; S415-N419 PolarHBondContact O-ND2 3.17Å |
| 416 | R | 95.7 | Very high | 90.5 | Very high | 161 Ų | 161 | 105.4 Ų | 105.4 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -48.9 | 173.7 | 176.5 | -175.7 | -92.6 | 156 | -12.5 | 111 | R412 D413 S414 I418 N419 D420 | R412-R416 PolarHBondContact O-N 2.93Å; D413-R416 PolarHBondContact O-N 3.26Å; D413-R416 IonicContact OD1-NH1 3.56Å; D413-R416 PolarHBondContact OD1-NH1 2.88Å; S414-R416 PolarHBondContact O-N 3.28Å; R416-I418 VanDerWaalsContact C-N 3.34Å; R416-I418 PolarHBondContact O-N 3.17Å; R416-N419 PolarHBondContact O-N 2.96Å; R416-N419 VanDerWaalsContact O-N 3.12Å; R416-D420 PolarHBondContact O-N 3.13Å |
| 417 | Q | 95.2 | Very high | 91.5 | Very high | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 178.2 | -71.2 | 174 | 28.9 | 0 | 0 | 111.9 | D413 S414 N419 D420 L421 | D413-Q417 WeakPolarHBondContact O-CB 3.41Å; D413-Q417 VanDerWaalsContact O-CG 3.27Å; D413-Q417 WeakPolarHBondContact O-CG 3.42Å; D413-Q417 PolarHBondContact O-N 3.27Å; S414-Q417 PolarHBondContact O-N 3.01Å; Q417-N419 VanDerWaalsContact C-N 3.31Å; Q417-N419 PolarHBondContact O-N 2.91Å; Q417-D420 PolarHBondContact O-N 3.35Å; Q417-L421 WeakPolarHBondContact O-CB 3.44Å; Q417-L421 VanDerWaalsContact O-CG 3.28Å; Q417-L421 WeakPolarHBondContact O-CG 3.41Å; Q417-L421 PolarHBondContact O-N 2.94Å |
| 418 | I | 94.5 | Very high | 92.2 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 40% | 0.4 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.5 | -71.9 | 164.3 | 0 | 0 | 0 | 111 | S414 R416 L421 K422 | S414-I418 WeakPolarHBondContact O-CB 3.42Å; S414-I418 WeakPolarHBondContact O-CD1 3.47Å; S414-I418 VanDerWaalsContact O-CG1 3.24Å; S414-I418 WeakPolarHBondContact O-CG1 3.45Å; S414-I418 PolarHBondContact O-N 3.46Å; R416-I418 VanDerWaalsContact C-N 3.34Å; R416-I418 PolarHBondContact O-N 3.17Å; I418-L421 PolarHBondContact O-N 2.8Å; I418-K422 HydrophobicContact CG2-CD 4.13Å; I418-K422 WeakPolarHBondContact O-CB 3.41Å; I418-K422 VanDerWaalsContact O-CG 3.28Å; I418-K422 WeakPolarHBondContact O-CG 3.42Å; I418-K422 PolarHBondContact O-N 3.09Å |
| 419 | N | 95.4 | Very high | 92.9 | Very high | 94 Ų | 94 | 104 Ų | 104 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 178.8 | -70.9 | -22.5 | 0 | 0 | 0 | 112.6 | S415 R416 Q417 L421 K422 F423 | S415-N419 VanDerWaalsContact O-CG 3.28Å; S415-N419 PolarHBondContact O-N 3.02Å; S415-N419 VanDerWaalsContact O-N 3.09Å; S415-N419 PolarHBondContact O-ND2 3.17Å; R416-N419 PolarHBondContact O-N 2.96Å; R416-N419 VanDerWaalsContact O-N 3.12Å; Q417-N419 VanDerWaalsContact C-N 3.31Å; Q417-N419 PolarHBondContact O-N 2.91Å; N419-L421 VanDerWaalsContact C-N 3.34Å; N419-L421 PolarHBondContact O-N 2.77Å; N419-K422 PolarHBondContact O-N 3.33Å; N419-F423 PolarHBondContact O-N 2.86Å |
| 420 | D | 95.7 | Very high | 93.6 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 173.5 | -77.8 | -4 | 0 | 0 | 0 | 111.8 | R416 Q417 F423 K424 | R416-D420 PolarHBondContact O-N 3.13Å; Q417-D420 PolarHBondContact O-N 3.35Å; D420-F423 PolarHBondContact O-N 2.88Å; D420-K424 WeakPolarHBondContact O-CB 3.32Å; D420-K424 VanDerWaalsContact O-CG 3.27Å; D420-K424 WeakPolarHBondContact O-CG 3.45Å; D420-K424 PolarHBondContact O-N 3.39Å |
| 421 | L | 95.3 | Very high | 94 | Very high | 113 Ų | 113 | 103.4 Ų | 103.4 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 174.7 | -72.4 | 173.1 | 0 | 0 | 0 | 111.7 | Q417 I418 N419 F423 K424 L425 | Q417-L421 WeakPolarHBondContact O-CB 3.44Å; Q417-L421 VanDerWaalsContact O-CG 3.28Å; Q417-L421 WeakPolarHBondContact O-CG 3.41Å; Q417-L421 PolarHBondContact O-N 2.94Å; I418-L421 PolarHBondContact O-N 2.8Å; N419-L421 VanDerWaalsContact C-N 3.34Å; N419-L421 PolarHBondContact O-N 2.77Å; L421-F423 PolarHBondContact O-N 3.28Å; L421-K424 PolarHBondContact O-N 3.26Å; L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.92Å |
| 422 | K | 93.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 100.8 Ų | 100.8 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 172.5 | -76.6 | 171.4 | 179.1 | 177.1 | 0 | 112 | I418 N419 L425 V426 | I418-K422 HydrophobicContact CG2-CD 4.13Å; I418-K422 WeakPolarHBondContact O-CB 3.41Å; I418-K422 VanDerWaalsContact O-CG 3.28Å; I418-K422 WeakPolarHBondContact O-CG 3.42Å; I418-K422 PolarHBondContact O-N 3.09Å; N419-K422 PolarHBondContact O-N 3.33Å; K422-L425 PolarHBondContact O-N 3.36Å; K422-V426 WeakPolarHBondContact O-CG2 3.47Å; K422-V426 PolarHBondContact O-N 3.43Å |
| 423 | F | 97.7 | Very high | 94.6 | Very high | 146 Ų | 146 | 96.6 Ų | 96.6 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 176.7 | -179.1 | -97.5 | 0 | 0 | 0 | 112 | N419 D420 L421 V426 K427 | N419-F423 PolarHBondContact O-N 2.86Å; D420-F423 PolarHBondContact O-N 2.88Å; L421-F423 PolarHBondContact O-N 3.28Å; F423-V426 PolarHBondContact O-N 3.49Å; F423-K427 WeakPolarHBondContact O-CB 3.46Å; F423-K427 PolarHBondContact O-N 3.08Å |
| 424 | K | 96.7 | Very high | 94.8 | Very high | 132 Ų | 132 | 95.8 Ų | 95.8 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 174.6 | -73.7 | 167.9 | -176 | 171 | 0 | 112.4 | D420 L421 K427 A428 | D420-K424 WeakPolarHBondContact O-CB 3.32Å; D420-K424 VanDerWaalsContact O-CG 3.27Å; D420-K424 WeakPolarHBondContact O-CG 3.45Å; D420-K424 PolarHBondContact O-N 3.39Å; L421-K424 PolarHBondContact O-N 3.26Å; K424-K427 PolarHBondContact O-N 3.06Å; K424-A428 WeakPolarHBondContact O-CB 3.49Å; K424-A428 PolarHBondContact O-N 2.88Å |
| 425 | L | 96.4 | Very high | 95 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -53.2 | 175.3 | 179.1 | 64 | 0 | 0 | 0 | 110.8 | L421 K422 K427 A428 E429 | L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.92Å; K422-L425 PolarHBondContact O-N 3.36Å; L425-K427 VanDerWaalsContact C-N 3.25Å; L425-K427 PolarHBondContact O-N 3.09Å; L425-A428 CarbonylContact O-C 3.58Å; L425-A428 WeakPolarHBondContact O-CB 3.49Å; L425-A428 PolarHBondContact O-N 3.28Å; L425-E429 HydrophobicContact CD1-CG 4.38Å; L425-E429 HydrophobicContact CG-CG 4.48Å; L425-E429 WeakPolarHBondContact O-CG 3.03Å; L425-E429 PolarHBondContact O-N 3.37Å |
| 426 | V | 97.9 | Very high | 95 | Very high | 69 Ų | 69 | 101.4 Ų | 101.4 | 42% | 0.418 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 177.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | K422 F423 Q430 | K422-V426 WeakPolarHBondContact O-CG2 3.47Å; K422-V426 PolarHBondContact O-N 3.43Å; F423-V426 PolarHBondContact O-N 3.49Å; V426-Q430 WeakPolarHBondContact O-CG 3.34Å; V426-Q430 PolarHBondContact O-N 3.25Å; V426-Q430 VanDerWaalsContact O-N 3.08Å |
| 427 | K | 96.5 | Very high | 94.8 | Very high | 104 Ų | 104 | 100 Ų | 100 | 45% | 0.452 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 174.6 | -168.4 | 179.8 | -176.1 | -98.9 | 0 | 112.1 | F423 K424 L425 Q430 E431 | F423-K427 WeakPolarHBondContact O-CB 3.46Å; F423-K427 PolarHBondContact O-N 3.08Å; K424-K427 PolarHBondContact O-N 3.06Å; L425-K427 VanDerWaalsContact C-N 3.25Å; L425-K427 PolarHBondContact O-N 3.09Å; K427-Q430 PolarHBondContact O-N 3.07Å; K427-E431 WeakPolarHBondContact CE-OE1 3.28Å; K427-E431 IonicContact NZ-OE1 3.12Å; K427-E431 PolarHBondContact NZ-OE1 3.28Å; K427-E431 WeakPolarHBondContact O-CG 3.43Å; K427-E431 PolarHBondContact O-N 3.24Å |
| 428 | A | 90.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 98.4 Ų | 98.4 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K424 L425 Q430 E431 V432 | K424-A428 WeakPolarHBondContact O-CB 3.49Å; K424-A428 PolarHBondContact O-N 2.88Å; L425-A428 CarbonylContact O-C 3.58Å; L425-A428 WeakPolarHBondContact O-CB 3.49Å; L425-A428 PolarHBondContact O-N 3.28Å; A428-Q430 VanDerWaalsContact C-N 3.34Å; A428-Q430 PolarHBondContact O-N 3.14Å; A428-E431 PolarHBondContact O-N 3.07Å; A428-V432 WeakPolarHBondContact O-CG2 3.45Å; A428-V432 PolarHBondContact O-N 3.03Å |
| 429 | E | 94.6 | Very high | 94.3 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.7 | -71.5 | 169.9 | 167.5 | 0 | 0 | 111.8 | L425 T433 | L425-E429 HydrophobicContact CD1-CG 4.38Å; L425-E429 HydrophobicContact CG-CG 4.48Å; L425-E429 WeakPolarHBondContact O-CG 3.03Å; L425-E429 PolarHBondContact O-N 3.37Å; E429-T433 WeakPolarHBondContact O-CB 3.42Å; E429-T433 PolarHBondContact O-N 2.9Å; E429-T433 PolarHBondContact O-OG1 3.31Å |
| 430 | Q | 96.3 | Very high | 93.9 | Very high | 130 Ų | 130 | 98.1 Ų | 98.1 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 172.9 | -71.6 | 175.2 | 8.9 | 0 | 0 | 112.3 | V426 K427 A428 T433 A434 | V426-Q430 WeakPolarHBondContact O-CG 3.34Å; V426-Q430 PolarHBondContact O-N 3.25Å; V426-Q430 VanDerWaalsContact O-N 3.08Å; K427-Q430 PolarHBondContact O-N 3.07Å; A428-Q430 VanDerWaalsContact C-N 3.34Å; A428-Q430 PolarHBondContact O-N 3.14Å; Q430-T433 PolarHBondContact O-N 3.49Å; Q430-A434 WeakPolarHBondContact O-CB 3.36Å; Q430-A434 PolarHBondContact O-N 2.76Å |
| 431 | E | 94.9 | Very high | 93.5 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 176 | -73.8 | 174.4 | -166.6 | 0 | 0 | 111.9 | K427 A428 A434 L435 | K427-E431 WeakPolarHBondContact CE-OE1 3.28Å; K427-E431 IonicContact NZ-OE1 3.12Å; K427-E431 PolarHBondContact NZ-OE1 3.28Å; K427-E431 WeakPolarHBondContact O-CG 3.43Å; K427-E431 PolarHBondContact O-N 3.24Å; A428-E431 PolarHBondContact O-N 3.07Å; E431-A434 PolarHBondContact O-N 3.4Å; E431-L435 WeakPolarHBondContact O-CB 3.47Å; E431-L435 VanDerWaalsContact O-CG 3.32Å; E431-L435 WeakPolarHBondContact O-CG 3.43Å; E431-L435 PolarHBondContact O-N 2.94Å |
| 432 | V | 94.7 | Very high | 92.8 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 172.4 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | A428 A434 L435 E436 | A428-V432 WeakPolarHBondContact O-CG2 3.45Å; A428-V432 PolarHBondContact O-N 3.03Å; V432-A434 VanDerWaalsContact C-N 3.28Å; V432-A434 PolarHBondContact O-N 2.75Å; V432-L435 PolarHBondContact O-N 3.48Å; V432-L435 VanDerWaalsContact O-N 3.07Å; V432-E436 HydrophobicContact CG1-CG 4.32Å; V432-E436 WeakPolarHBondContact O-CG 3.32Å; V432-E436 PolarHBondContact O-N 3.42Å |
| 433 | T | 94.7 | Very high | 92 | Very high | 70 Ų | 70 | 100.2 Ų | 100.2 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 178.4 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | E429 Q430 Q437 | E429-T433 WeakPolarHBondContact O-CB 3.42Å; E429-T433 PolarHBondContact O-N 2.9Å; E429-T433 PolarHBondContact O-OG1 3.31Å; Q430-T433 PolarHBondContact O-N 3.49Å; T433-Q437 WeakPolarHBondContact O-CG 3.28Å; T433-Q437 PolarHBondContact O-N 2.97Å; T433-Q437 VanDerWaalsContact O-N 3.12Å |
| 434 | A | 93.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 96.6 Ų | 96.6 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q430 E431 V432 N438 | Q430-A434 WeakPolarHBondContact O-CB 3.36Å; Q430-A434 PolarHBondContact O-N 2.76Å; E431-A434 PolarHBondContact O-N 3.4Å; V432-A434 VanDerWaalsContact C-N 3.28Å; V432-A434 PolarHBondContact O-N 2.75Å; A434-N438 PolarHBondContact O-N 3.06Å; A434-N438 PolarHBondContact O-ND2 2.67Å |
| 435 | L | 93.3 | Very high | 90.2 | Very high | 112 Ų | 112 | 94.4 Ų | 94.4 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.6 | -40.5 | 175 | -72.5 | 172.1 | 0 | 0 | 0 | 111.9 | E431 V432 Q437 N438 V439 | E431-L435 WeakPolarHBondContact O-CB 3.47Å; E431-L435 VanDerWaalsContact O-CG 3.32Å; E431-L435 WeakPolarHBondContact O-CG 3.43Å; E431-L435 PolarHBondContact O-N 2.94Å; V432-L435 PolarHBondContact O-N 3.48Å; V432-L435 VanDerWaalsContact O-N 3.07Å; L435-Q437 PolarHBondContact O-N 2.85Å; L435-N438 PolarHBondContact O-N 2.97Å; L435-V439 WeakPolarHBondContact O-CG2 3.41Å; L435-V439 PolarHBondContact O-N 3.3Å |
| 436 | E | 92 | Very high | 89.1 | Confident | 119 Ų | 119 | 93 Ų | 93 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 174.5 | -73.4 | 179.6 | 163.5 | 0 | 0 | 112.1 | V432 V439 S440 | V432-E436 HydrophobicContact CG1-CG 4.32Å; V432-E436 WeakPolarHBondContact O-CG 3.32Å; V432-E436 PolarHBondContact O-N 3.42Å; E436-V439 PolarHBondContact O-N 2.96Å; E436-S440 VanDerWaalsContact O-CB 3.31Å; E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 3.44Å; E436-S440 PolarHBondContact O-OG 3.04Å |
| 437 | Q | 90.6 | Very high | 87.9 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -42 | 173 | -71.5 | 178.3 | 9.8 | 0 | 0 | 112 | T433 L435 S440 K441 | T433-Q437 WeakPolarHBondContact O-CG 3.28Å; T433-Q437 PolarHBondContact O-N 2.97Å; T433-Q437 VanDerWaalsContact O-N 3.12Å; L435-Q437 PolarHBondContact O-N 2.85Å; Q437-S440 PolarHBondContact O-N 3.01Å; Q437-K441 WeakPolarHBondContact O-CB 3.47Å; Q437-K441 PolarHBondContact O-N 3.32Å |
| 438 | N | 89.4 | Confident | 86.7 | Confident | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.4 | -77.1 | -43.7 | 0 | 0 | 0 | 113 | A434 L435 R442 | A434-N438 PolarHBondContact O-N 3.06Å; A434-N438 PolarHBondContact O-ND2 2.67Å; L435-N438 PolarHBondContact O-N 2.97Å; N438-R442 WeakPolarHBondContact O-CB 3.45Å; N438-R442 WeakPolarHBondContact O-CG 3.25Å; N438-R442 PolarHBondContact O-N 3.29Å |
| 439 | V | 90.9 | Very high | 85.8 | Confident | 97 Ų | 97 | 91.2 Ų | 91.2 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -45 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L435 E436 K441 R442 S443 | L435-V439 WeakPolarHBondContact O-CG2 3.41Å; L435-V439 PolarHBondContact O-N 3.3Å; E436-V439 PolarHBondContact O-N 2.96Å; V439-K441 VanDerWaalsContact C-N 3.31Å; V439-K441 PolarHBondContact O-N 2.98Å; V439-R442 PolarHBondContact O-N 3.1Å; V439-S443 WeakPolarHBondContact O-CB 3.24Å; V439-S443 PolarHBondContact O-N 3.43Å; V439-S443 PolarHBondContact O-OG 3.29Å |
| 440 | S | 85.9 | Confident | 84.5 | Confident | 68 Ų | 68 | 92.3 Ų | 92.3 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 177 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | E436 Q437 S443 S444 | E436-S440 VanDerWaalsContact O-CB 3.31Å; E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 3.44Å; E436-S440 PolarHBondContact O-OG 3.04Å; Q437-S440 PolarHBondContact O-N 3.01Å; S440-S443 PolarHBondContact O-OG 3.45Å; S440-S444 PolarHBondContact O-N 3.01Å; S440-S444 VanDerWaalsContact O-N 3.12Å; S440-S444 PolarHBondContact O-OG 3.01Å |
| 441 | K | 88.3 | Confident | 83 | Confident | 133 Ų | 133 | 90.6 Ų | 90.6 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -53.8 | 174 | -173.5 | 174.1 | 179.2 | 179.8 | 0 | 111.8 | Q437 V439 S443 S444 D445 | Q437-K441 WeakPolarHBondContact O-CB 3.47Å; Q437-K441 PolarHBondContact O-N 3.32Å; V439-K441 VanDerWaalsContact C-N 3.31Å; V439-K441 PolarHBondContact O-N 2.98Å; K441-S443 VanDerWaalsContact C-N 3.3Å; K441-S443 PolarHBondContact O-N 3.2Å; K441-S444 WeakPolarHBondContact O-CA 3.46Å; K441-S444 WeakPolarHBondContact O-CB 3.42Å; K441-S444 PolarHBondContact O-N 3.06Å; K441-D445 VanDerWaalsContact O-CG 3.26Å; K441-D445 PolarHBondContact O-N 2.89Å |
| 442 | R | 80 | Confident | 81.6 | Confident | 173 Ų | 173 | 91.8 Ų | 91.8 | 65% | 0.653 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -33.3 | 179.2 | -75.3 | -179.6 | 173.6 | 169.5 | -1.1 | 113.6 | N438 V439 S444 C446 | N438-R442 WeakPolarHBondContact O-CB 3.45Å; N438-R442 WeakPolarHBondContact O-CG 3.25Å; N438-R442 PolarHBondContact O-N 3.29Å; V439-R442 PolarHBondContact O-N 3.1Å; R442-S444 VanDerWaalsContact C-N 3.35Å; R442-C446 WeakPolarHBondContact O-CB 3.41Å; R442-C446 PolarHBondContact O-N 3.09Å |
| 443 | S | 77.2 | Confident | 80.3 | Confident | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.7 | -33.1 | 174.9 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | V439 S440 K441 S447 | V439-S443 WeakPolarHBondContact O-CB 3.24Å; V439-S443 PolarHBondContact O-N 3.43Å; V439-S443 PolarHBondContact O-OG 3.29Å; S440-S443 PolarHBondContact O-OG 3.45Å; K441-S443 VanDerWaalsContact C-N 3.3Å; K441-S443 PolarHBondContact O-N 3.2Å; S443-S447 WeakPolarHBondContact O-CB 3.41Å; S443-S447 PolarHBondContact O-N 3.2Å; S443-S447 PolarHBondContact O-OG 3.21Å |
| 444 | S | 79 | Confident | 78.9 | Confident | 70 Ų | 70 | 97.2 Ų | 97.2 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.7 | -49.9 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | S440 K441 R442 C446 S447 T448 | S440-S444 PolarHBondContact O-N 3.01Å; S440-S444 VanDerWaalsContact O-N 3.12Å; S440-S444 PolarHBondContact O-OG 3.01Å; K441-S444 WeakPolarHBondContact O-CA 3.46Å; K441-S444 WeakPolarHBondContact O-CB 3.42Å; K441-S444 PolarHBondContact O-N 3.06Å; R442-S444 VanDerWaalsContact C-N 3.35Å; S444-C446 VanDerWaalsContact C-N 3.31Å; S444-C446 PolarHBondContact O-N 2.98Å; S444-S447 PolarHBondContact O-N 2.99Å; S444-S447 VanDerWaalsContact O-N 3.16Å; S444-T448 PolarHBondContact O-N 3.48Å; S444-T448 PolarHBondContact O-OG1 3.39Å |
| 445 | D | 76.8 | Confident | 77.4 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 177.1 | -61 | -26.9 | 0 | 0 | 0 | 110.9 | K441 T448 G449 | K441-D445 VanDerWaalsContact O-CG 3.26Å; K441-D445 PolarHBondContact O-N 2.89Å; D445-T448 WeakPolarHBondContact CA-OG1 3.34Å; D445-T448 PolarHBondContact O-N 2.87Å; D445-T448 PolarHBondContact O-OG1 3.23Å; D445-G449 PolarHBondContact O-N 2.86Å |
| 446 | C | 73.6 | Confident | 76 | Confident | 68 Ų | 68 | 101.1 Ų | 101.1 | 46% | 0.459 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | R442 S444 T448 G449 F450 | R442-C446 WeakPolarHBondContact O-CB 3.41Å; R442-C446 PolarHBondContact O-N 3.09Å; S444-C446 VanDerWaalsContact C-N 3.31Å; S444-C446 PolarHBondContact O-N 2.98Å; C446-T448 VanDerWaalsContact C-N 3.35Å; C446-T448 PolarHBondContact O-N 3.37Å; C446-G449 PolarHBondContact O-N 2.76Å; C446-F450 WeakPolarHBondContact O-CD2 3.42Å; C446-F450 PolarHBondContact O-N 3.37Å; C446-F450 VanDerWaalsContact SG-CE2 3.54Å |
| 447 | S | 73.3 | Confident | 74.5 | Confident | 67 Ų | 67 | 101.1 Ų | 101.1 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -41 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | S443 S444 G449 F450 I451 | S443-S447 WeakPolarHBondContact O-CB 3.41Å; S443-S447 PolarHBondContact O-N 3.2Å; S443-S447 PolarHBondContact O-OG 3.21Å; S444-S447 PolarHBondContact O-N 2.99Å; S444-S447 VanDerWaalsContact O-N 3.16Å; S447-G449 VanDerWaalsContact C-N 3.35Å; S447-F450 PolarHBondContact O-N 3.19Å; S447-I451 WeakPolarHBondContact O-CD1 3.49Å; S447-I451 VanDerWaalsContact O-CG1 3.27Å; S447-I451 WeakPolarHBondContact O-CG1 3.31Å; S447-I451 PolarHBondContact O-N 3.41Å; S447-I451 VanDerWaalsContact O-N 3.12Å |
| 448 | T | 72.1 | Confident | 72.9 | Confident | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 175 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | S444 D445 C446 I451 L452 | S444-T448 PolarHBondContact O-N 3.48Å; S444-T448 PolarHBondContact O-OG1 3.39Å; D445-T448 WeakPolarHBondContact CA-OG1 3.34Å; D445-T448 PolarHBondContact O-N 2.87Å; D445-T448 PolarHBondContact O-OG1 3.23Å; C446-T448 VanDerWaalsContact C-N 3.35Å; C446-T448 PolarHBondContact O-N 3.37Å; T448-I451 PolarHBondContact O-N 2.95Å; T448-L452 WeakPolarHBondContact O-CG 3.43Å; T448-L452 PolarHBondContact O-N 2.95Å |
| 449 | G | 70.4 | Confident | 71.3 | Confident | 36 Ų | 36 | 100.2 Ų | 100.2 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -53 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D445 C446 S447 I451 L452 E453 | D445-G449 PolarHBondContact O-N 2.86Å; C446-G449 PolarHBondContact O-N 2.76Å; S447-G449 VanDerWaalsContact C-N 3.35Å; G449-I451 VanDerWaalsContact C-N 3.26Å; G449-I451 PolarHBondContact O-N 3.42Å; G449-L452 PolarHBondContact O-N 3.46Å; G449-E453 WeakPolarHBondContact O-CB 3.45Å; G449-E453 PolarHBondContact O-N 3.38Å |
| 450 | F | 67.7 | Low | 69.4 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -31.8 | 178.1 | -83.7 | -61 | 0 | 0 | 0 | 113.7 | C446 S447 K454 | C446-F450 WeakPolarHBondContact O-CD2 3.42Å; C446-F450 PolarHBondContact O-N 3.37Å; C446-F450 VanDerWaalsContact SG-CE2 3.54Å; S447-F450 PolarHBondContact O-N 3.19Å; F450-K454 WeakPolarHBondContact O-CG 3.28Å; F450-K454 PolarHBondContact O-N 3.43Å |
| 451 | I | 66.1 | Low | 67.9 | Low | 94 Ų | 94 | 108 Ų | 108 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.4 | -48.5 | 174.9 | -70.7 | 167.7 | 0 | 0 | 0 | 110.2 | S447 T448 G449 E453 K454 Y455 | S447-I451 WeakPolarHBondContact O-CD1 3.49Å; S447-I451 VanDerWaalsContact O-CG1 3.27Å; S447-I451 WeakPolarHBondContact O-CG1 3.31Å; S447-I451 PolarHBondContact O-N 3.41Å; S447-I451 VanDerWaalsContact O-N 3.12Å; T448-I451 PolarHBondContact O-N 2.95Å; G449-I451 VanDerWaalsContact C-N 3.26Å; G449-I451 PolarHBondContact O-N 3.42Å; I451-E453 VanDerWaalsContact C-N 3.35Å; I451-E453 PolarHBondContact O-N 3.24Å; I451-K454 PolarHBondContact O-N 3.04Å; I451-Y455 HydrophobicContact CG2-CD2 3.75Å; I451-Y455 HydrophobicContact CG2-CE2 3.71Å; I451-Y455 VanDerWaalsContact O-CD2 3.24Å; I451-Y455 WeakPolarHBondContact O-CD2 3.4Å; I451-Y455 PolarHBondContact O-N 3.44Å |
| 452 | L | 64.6 | Low | 65.8 | Low | 124 Ų | 124 | 110.5 Ų | 110.5 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.6 | -40.1 | 178.4 | -71 | 169.6 | 0 | 0 | 0 | 112.2 | T448 G449 Y455 S456 | T448-L452 WeakPolarHBondContact O-CG 3.43Å; T448-L452 PolarHBondContact O-N 2.95Å; G449-L452 PolarHBondContact O-N 3.46Å; L452-Y455 PolarHBondContact O-N 3.46Å; L452-S456 WeakPolarHBondContact O-CB 3.23Å; L452-S456 PolarHBondContact O-N 3.49Å |
| 453 | E | 66.8 | Low | 65.1 | Low | 107 Ų | 107 | 107.4 Ų | 107.4 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 176.2 | -171.8 | 176 | -150.1 | 0 | 0 | 111.9 | G449 I451 S456 H457 | G449-E453 WeakPolarHBondContact O-CB 3.45Å; G449-E453 PolarHBondContact O-N 3.38Å; I451-E453 VanDerWaalsContact C-N 3.35Å; I451-E453 PolarHBondContact O-N 3.24Å; E453-S456 WeakPolarHBondContact O-CB 3.44Å; E453-S456 PolarHBondContact O-N 3.27Å; E453-H457 PolarHBondContact O-N 3.02Å |
| 454 | K | 65.7 | Low | 64.5 | Low | 155 Ų | 155 | 109.7 Ų | 109.7 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.1 | -38.7 | 174.1 | -79.9 | -169.4 | 174 | -173.4 | 0 | 113.5 | F450 I451 L458 | F450-K454 WeakPolarHBondContact O-CG 3.28Å; F450-K454 PolarHBondContact O-N 3.43Å; I451-K454 PolarHBondContact O-N 3.04Å; K454-L458 PolarHBondContact O-N 3.44Å; K454-L458 VanDerWaalsContact O-N 3.07Å |
| 455 | Y | 62.5 | Low | 63.6 | Low | 157 Ų | 157 | 111.9 Ų | 111.9 | 62% | 0.616 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -32.3 | 175.3 | -81.2 | -68.9 | 0 | 0 | 0 | 112.7 | I451 L452 L458 S459 | I451-Y455 HydrophobicContact CG2-CD2 3.75Å; I451-Y455 HydrophobicContact CG2-CE2 3.71Å; I451-Y455 VanDerWaalsContact O-CD2 3.24Å; I451-Y455 WeakPolarHBondContact O-CD2 3.4Å; I451-Y455 PolarHBondContact O-N 3.44Å; L452-Y455 PolarHBondContact O-N 3.46Å; Y455-L458 PolarHBondContact O-N 2.79Å; Y455-S459 PolarHBondContact O-N 3.03Å; Y455-S459 PolarHBondContact O-OG 3.42Å |
| 456 | S | 63.5 | Low | 62.9 | Low | 82 Ų | 82 | 113.4 Ų | 113.4 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.2 | -48.9 | 172.2 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | L452 E453 L458 S459 F460 | L452-S456 WeakPolarHBondContact O-CB 3.23Å; L452-S456 PolarHBondContact O-N 3.49Å; E453-S456 WeakPolarHBondContact O-CB 3.44Å; E453-S456 PolarHBondContact O-N 3.27Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-L458 PolarHBondContact O-N 3.38Å; S456-S459 PolarHBondContact O-N 3.18Å; S456-F460 PolarHBondContact O-N 3.22Å |
| 457 | H | 60.1 | Low | 62.2 | Low | 119 Ų | 119 | 116.3 Ų | 116.3 | 55% | 0.551 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.1 | -35.1 | 176 | -89 | -69.1 | 0 | 0 | 0 | 113.6 | E453 F460 I461 | E453-H457 PolarHBondContact O-N 3.02Å; H457-F460 PolarHBondContact O-N 3.44Å; H457-I461 WeakPolarHBondContact O-CD1 3.31Å; H457-I461 WeakPolarHBondContact O-CG1 3.47Å |
| 458 | L | 56.4 | Low | 61.5 | Low | 111 Ų | 111 | 119.5 Ų | 119.5 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68 | -36.7 | 174.2 | -104.5 | 69.4 | 0 | 0 | 0 | 112.7 | K454 Y455 S456 F460 I461 | K454-L458 PolarHBondContact O-N 3.44Å; K454-L458 VanDerWaalsContact O-N 3.07Å; Y455-L458 PolarHBondContact O-N 2.79Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-L458 PolarHBondContact O-N 3.38Å; L458-F460 PolarHBondContact O-N 3.28Å; L458-I461 PolarHBondContact O-N 3.05Å |
| 459 | S | 57.4 | Low | 60.7 | Low | 93 Ų | 93 | 122.5 Ų | 122.5 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74 | -7.4 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 113.9 | Y455 S456 | Y455-S459 PolarHBondContact O-N 3.03Å; Y455-S459 PolarHBondContact O-OG 3.42Å; S456-S459 PolarHBondContact O-N 3.18Å |
| 460 | F | 51 | Low | 60 | Low | 187 Ų | 187 | 129.2 Ų | 129.2 | 82% | 0.82 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -2.5 | 175.8 | -151.1 | -91.4 | 0 | 0 | 0 | 112.9 | S456 H457 L458 | S456-F460 PolarHBondContact O-N 3.22Å; H457-F460 PolarHBondContact O-N 3.44Å; L458-F460 PolarHBondContact O-N 3.28Å |
| 461 | I | 52.8 | Low | 59.3 | Low | 140 Ų | 140 | 129.7 Ų | 129.7 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | trans | -111.3 | -2.1 | -176.3 | -68.4 | 172.2 | 0 | 0 | 0 | 111.7 | H457 L458 | H457-I461 WeakPolarHBondContact O-CD1 3.31Å; H457-I461 WeakPolarHBondContact O-CG1 3.47Å; L458-I461 PolarHBondContact O-N 3.05Å | ||
| 462 | V | 44.8 | Very low | 58.7 | Low | 187 Ų | 187 | 132.9 Ų | 132.9 | 100% | 1.133 | 68% | 0.679 | S | S | * | * | trans | -118 | 0 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 462 of 462 residues in 78.1 ms
(Link to these results)