| 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 | 35.5 | Very low | 34.3 | Very low | 240 Ų | 240 | 167.7 Ų | 167.7 | 100% | 1.182 | 87% | 0.866 | S | S | * | * | 0 | 113.8 | 0 | -67.2 | 165.5 | 174.7 | 0 | 0 | 108.2 | |||||
| 2 | F | 27.4 | Very low | 34 | Very low | 207 Ų | 207 | 169.1 Ų | 169.1 | 91% | 0.908 | 87% | 0.866 | S | S | * | * | trans | -140.4 | 92.2 | -178.7 | -98.3 | -88.6 | 0 | 0 | 0 | 108.8 | ||||
| 3 | S | 32.6 | Very low | 34 | Very low | 119 Ų | 119 | 162.4 Ų | 162.4 | 83% | 0.832 | 86% | 0.864 | S | S | * | * | trans | -159.5 | -25.7 | -177.8 | -66.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 4 | N | 40.5 | Very low | 33.9 | Very low | 152 Ų | 152 | 159.9 Ų | 159.9 | 81% | 0.813 | 86% | 0.858 | S | S | * | * | trans | -125.5 | 102.2 | -167.6 | -80.2 | -28.9 | 0 | 0 | 0 | 113.7 | ||||
| 5 | L | 36.4 | Very low | 34 | Very low | 175 Ų | 175 | 160.1 Ų | 160.1 | 92% | 0.916 | 86% | 0.859 | S | S | * | * | 172.2 | 83.1 | 113.7 | -92.6 | 166.1 | 0 | 0 | 0 | 110.6 | |||||
| 6 | K | 33.2 | Very low | 34 | Very low | 218 Ų | 218 | 162.4 Ų | 162.4 | 95% | 0.948 | 86% | 0.859 | S | S | * | * | trans | -115.2 | 93.9 | 169.3 | -169.2 | 171.7 | -175 | 171.7 | 0 | 110.5 | ||||
| 7 | G | 36.3 | Very low | 34 | Very low | 61 Ų | 61 | 160.1 Ų | 160.1 | 63% | 0.629 | 86% | 0.859 | S | S | * | * | trans | 106.3 | 135.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 8 | L | 33.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 157.3 Ų | 157.3 | 94% | 0.937 | 85% | 0.852 | S | S | * | * | -156.2 | 120.4 | 125 | -109.4 | 167.5 | 0 | 0 | 0 | 109.9 | |||||
| 9 | V | 32.3 | Very low | 33.8 | Very low | 125 Ų | 125 | 161.3 Ų | 161.3 | 76% | 0.758 | 85% | 0.854 | S | S | * | * | trans | -119.3 | 118.1 | 178.7 | 169.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 10 | K | 35.9 | Very low | 33.8 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | 167.6 | 158.9 | 144.3 | -97.6 | 158.4 | -175.9 | 176.8 | 0 | 115.9 | ||||
| 11 | K | 34.2 | Very low | 33.8 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | 78.3 | 114.7 | 171.9 | -63.8 | 174.6 | 179.4 | -177.8 | 0 | 115 | ||||
| 12 | E | 29.7 | Very low | 33.5 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | cis | 80.4 | 120.7 | 45.8 | -62.5 | 171.8 | 120.4 | 0 | 0 | 113.7 | ||||
| 13 | G | 34.1 | Very low | 33.8 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 175 | 81.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | T | 33.5 | Very low | 33.8 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -70.3 | 148.8 | -176.7 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 15 | N | 34.4 | Very low | 33.6 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | -166.4 | 164.4 | 123.7 | -103.1 | -36.2 | 0 | 0 | 0 | 114.8 | |||||
| 16 | K | 34.1 | Very low | 33.3 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -123.8 | 158.9 | -172.1 | -58.8 | 175.8 | 177.6 | -179.7 | 0 | 112.4 | ||||
| 17 | S | 33.7 | Very low | 33.4 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -159.2 | 158.9 | 141.4 | -161.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 18 | C | 30.8 | Very low | 33.1 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -142.1 | 157.8 | -170.9 | -46.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 19 | R | 33.3 | Very low | 33.1 | Very low | 234 Ų | 234 | 145.6 Ų | 145.6 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | 169.7 | 123.6 | 145.7 | -94.7 | 174.3 | 165 | 165.6 | -3.9 | 107.4 | ||||
| 20 | S | 34.9 | Very low | 32.9 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | 77.3 | 122.2 | 55.2 | 89.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 21 | D | 33.6 | Very low | 32.7 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | -168.1 | 174.2 | 100.5 | -85.3 | -2.1 | 0 | 0 | 0 | 109.7 | |||||
| 22 | C | 29.4 | Very low | 32.5 | Very low | 136 Ų | 136 | 142 Ų | 142 | 92% | 0.919 | 81% | 0.814 | S | S | * | * | trans | -142 | 156.1 | -169.2 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 23 | G | 33.5 | Very low | 32.4 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -154.4 | 136.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 24 | S | 33.4 | Very low | 32.4 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -132.3 | 149 | -174.6 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 25 | T | 35.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | trans | -157.2 | 156.8 | 145.6 | 12.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 26 | D | 30.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -137 | 139.6 | -169 | 157.2 | 40.2 | 0 | 0 | 0 | 110.2 | ||||
| 27 | S | 33.6 | Very low | 32.2 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 108 | 165.2 | 61.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 28 | R | 29.9 | Very low | 32 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -34.2 | 157.2 | 158.4 | -60.1 | 161.3 | 161.3 | 161.5 | -7.1 | 116.9 | ||||
| 29 | V | 33.8 | Very low | 32.1 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | -170.3 | 155.4 | 107.8 | 143.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 30 | S | 28.3 | Very low | 32.1 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -121.6 | 154.4 | -176.3 | -42.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | Y | 31.8 | Very low | 32.1 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -153.8 | 173.6 | 152 | -113.1 | -76.2 | 0 | 0 | 0 | 111.8 | ||||
| 32 | S | 29.6 | Very low | 32.2 | Very low | 85 Ų | 85 | 152.4 Ų | 152.4 | 59% | 0.594 | 83% | 0.827 | S | S | * | * | trans | -150.9 | 154.4 | -150 | 66.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 33 | R | 29 | Very low | 32.3 | Very low | 223 Ų | 223 | 150.4 Ų | 150.4 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | 70.4 | 134.6 | 161.6 | -60.5 | 177.9 | 179.5 | 155.4 | 0.2 | 118.4 | ||||
| 34 | F | 32.4 | Very low | 32.3 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 90% | 0.899 | 82% | 0.82 | S | S | * | * | -152.6 | 179.3 | 104.1 | -119 | -86 | 0 | 0 | 0 | 110.8 | |||||
| 35 | L | 31.5 | Very low | 32.3 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -128.6 | 155.2 | -166.5 | -70.7 | 159.7 | 0 | 0 | 0 | 111.8 | ||||
| 36 | G | 32.1 | Very low | 32.1 | Very low | 67 Ų | 67 | 152.4 Ų | 152.4 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 170 | 125.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 37 | E | 34.1 | Very low | 32.1 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 47.3 | 113.3 | 153.8 | -67.4 | 154.9 | -150.3 | 0 | 0 | 119.2 | ||||
| 38 | S | 30.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 157.7 Ų | 157.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | cis | 93.9 | 98.7 | 22.9 | -175.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 39 | E | 32.7 | Very low | 31.6 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -152.1 | 168.7 | 129.8 | -122.7 | 169.5 | -163.3 | 0 | 0 | 113.7 | |||||
| 40 | R | 34.5 | Very low | 31.3 | Very low | 223 Ų | 223 | 155.9 Ų | 155.9 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -80.1 | 139.4 | -156.5 | -71.9 | 173.1 | 177.9 | -175.1 | -3.3 | 113.4 | ||||
| 41 | T | 33.9 | Very low | 31.3 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | 65.7 | 118.5 | 55.2 | 73 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 42 | D | 35.3 | Very low | 31.2 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -150.4 | 127.9 | 137.9 | -103.1 | -16.4 | 0 | 0 | 0 | 109 | ||||
| 43 | A | 31.1 | Very low | 31.1 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -162.2 | 127.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 44 | D | 34.4 | Very low | 31.3 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -168.1 | 153.5 | 179.4 | -100.8 | -17.8 | 0 | 0 | 0 | 108.6 | ||||
| 45 | I | 33 | Very low | 31.1 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | cis | -159.9 | 154.9 | -32 | -129.4 | -179.9 | 0 | 0 | 0 | 106.7 | ||||
| 46 | A | 31.5 | Very low | 31 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -95.8 | 150.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 47 | F | 30.7 | Very low | 31 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -152.2 | 152 | 165.7 | -120 | -78.9 | 0 | 0 | 0 | 114.7 | ||||
| 48 | E | 26.1 | Very low | 31.1 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -109.5 | -180 | -171.4 | -59.1 | -177.5 | 91.5 | 0 | 0 | 115 | ||||
| 49 | T | 28.2 | Very low | 31 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 63% | 0.632 | 80% | 0.798 | S | S | * | * | trans | 90.2 | 108.1 | 146.1 | 57.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 50 | R | 27 | Very low | 31.1 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | 78.2 | 120.4 | 117.4 | -69.9 | -179.8 | -179.6 | -173.3 | 1.8 | 123.6 | |||||
| 51 | T | 28.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | 91.2 | 138.8 | 125.7 | 56.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 52 | S | 29.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 81.5 | 149.7 | 153.4 | -59.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 53 | S | 28 | Very low | 30.7 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | cis | -178.4 | 177.5 | -27.9 | -101.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 54 | V | 32.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 78.3 | 104.2 | 170.2 | -170.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 55 | Q | 27.9 | Very low | 30.4 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | 74.2 | 120.8 | 62.5 | -70.4 | -166.7 | 7.1 | 0 | 0 | 117 | |||||
| 56 | L | 29.6 | Very low | 30.3 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | -174.1 | 161.1 | 110.9 | -97.6 | 168.5 | 0 | 0 | 0 | 112.1 | |||||
| 57 | K | 33.2 | Very low | 30.2 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -149.8 | 138.2 | -171.5 | -173.8 | -178.3 | -173.2 | 176.7 | 0 | 111.3 | ||||
| 58 | P | 35.1 | Very low | 30 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -148.4 | 174.4 | 133.6 | 37.7 | -22.4 | 0 | 0 | 0 | 113.8 | ||||
| 59 | T | 29.1 | Very low | 30.1 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | cis | -174.4 | 137.4 | -33.5 | -79.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 60 | S | 34 | Very low | 30.2 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 158.7 | 179.6 | -47.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | P | 36.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | -131.1 | 149.8 | 121.6 | 16.3 | 4.5 | 0 | 0 | 0 | 111.2 | |||||
| 62 | S | 29.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 67.9 | 136.3 | 54.4 | 106.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 63 | V | 30 | Very low | 30.5 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | cis | -165.7 | 178.8 | -1.5 | 103.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 64 | A | 30.3 | Very low | 30.5 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 80.3 | 129.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 65 | S | 28.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | 95.6 | 111.5 | 32.5 | -174.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 66 | N | 31.3 | Very low | 30.9 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 179.9 | 158 | 119.8 | -84.6 | -12.7 | 0 | 0 | 0 | 112.8 | |||||
| 67 | H | 29 | Very low | 31 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 89% | 0.889 | 77% | 0.767 | S | S | * | * | trans | -57.2 | 164.8 | 174.7 | -39.2 | -66.4 | 0 | 0 | 0 | 113 | ||||
| 68 | G | 26.8 | Very low | 30.8 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | 154.6 | -173.2 | 9.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 69 | R | 28 | Very low | 30.5 | Very low | 235 Ų | 235 | 131 Ų | 131 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | 70.1 | 129.5 | -174.3 | -67.1 | -174.6 | 161.5 | 158.6 | -4.8 | 114.6 | ||||
| 70 | T | 30.5 | Very low | 30.6 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | 85.9 | 131.4 | 36.6 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 71 | N | 28.7 | Very low | 30.3 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 73.4 | 147.8 | 169 | -62.6 | 56.4 | 0 | 0 | 0 | 115.4 | ||||
| 72 | D | 26.7 | Very low | 29.9 | Very low | 121 Ų | 121 | 131 Ų | 131 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | cis | -155.2 | 171.6 | -3.1 | -122.1 | -27.5 | 0 | 0 | 0 | 114.7 | ||||
| 73 | I | 35.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -41.2 | 140.5 | 164.7 | -58.6 | 152.4 | 0 | 0 | 0 | 113.9 | ||||
| 74 | T | 27.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | -167.4 | 155.4 | 129.6 | 9.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 75 | E | 37.2 | Very low | 29.7 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -75.2 | 167 | -177.3 | -52.5 | 153.7 | 129.9 | 0 | 0 | 113.2 | ||||
| 76 | S | 30.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -154.3 | 115.6 | 153.5 | -75.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 77 | N | 32.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -74.1 | 157.7 | 169.9 | -63.9 | -64.4 | 0 | 0 | 0 | 111 | ||||
| 78 | S | 28.7 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 174.5 | 110 | 131.8 | -75.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 79 | D | 28.7 | Very low | 30.2 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | 48.3 | 125.7 | 125.9 | -56.7 | -35.2 | 0 | 0 | 0 | 120.1 | |||||
| 80 | S | 30.6 | Very low | 30.2 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | -178.4 | 162.5 | 70.6 | 39.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 81 | N | 27.8 | Very low | 30.1 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -47.7 | 160.1 | 172.7 | -50.9 | -82.8 | 0 | 0 | 0 | 113.8 | ||||
| 82 | A | 27.8 | Very low | 30.1 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | cis | -175 | 148.6 | 47.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 83 | F | 26.7 | Very low | 30.2 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | 69.6 | 118 | 130 | -81.8 | -127.7 | 0 | 0 | 0 | 123.7 | |||||
| 84 | Q | 27.8 | Very low | 29.9 | Very low | 141 Ų | 141 | 133 Ų | 133 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | 85.7 | 111.6 | 128.4 | -72.5 | -169.8 | 8.6 | 0 | 0 | 123.3 | |||||
| 85 | N | 31.2 | Very low | 30 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | 46.5 | 108.6 | 115 | -54 | -11.6 | 0 | 0 | 0 | 119.6 | |||||
| 86 | K | 27.1 | Very low | 29.7 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | 179.6 | 137.4 | 102.9 | -95.7 | 151 | -170 | 167.2 | 0 | 114.8 | |||||
| 87 | S | 31.3 | Very low | 29.8 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -73.6 | -178.6 | 155.5 | -8.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 88 | P | 40.4 | Very low | 29.5 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | cis | -137 | -148.7 | -12.6 | 34.4 | -11.8 | 0 | 0 | 0 | 112.1 | ||||
| 89 | T | 27.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | trans | 77.3 | 94.9 | 147.4 | 39.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 90 | S | 28.6 | Very low | 29.7 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | 78.8 | 138.8 | 108 | 75.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 91 | K | 28.2 | Very low | 29.9 | Very low | 178 Ų | 178 | 137 Ų | 137 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | trans | 69.5 | 151.7 | 160.6 | -71.2 | 178.1 | 168.5 | -90.3 | 0 | 115.6 | ||||
| 92 | E | 28.6 | Very low | 29.9 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | cis | -175.2 | -177.7 | -20.7 | -165.2 | 158.2 | -166.1 | 0 | 0 | 104.3 | ||||
| 93 | T | 29.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | 62 | 122.6 | 164.6 | 57 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 94 | D | 29.1 | Very low | 31.3 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | 71.1 | 100.4 | 129.6 | -70.2 | -58.4 | 0 | 0 | 0 | 122.7 | |||||
| 95 | N | 30.8 | Very low | 31.4 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | 73.1 | 142.6 | 107.4 | -92.6 | -57.3 | 0 | 0 | 0 | 122.2 | |||||
| 96 | V | 30.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 78.3 | 94.6 | 142.6 | 171 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 97 | K | 32.9 | Very low | 31.7 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | 79.2 | 151.7 | 127.5 | -69.5 | -176.8 | -168.9 | 171 | 0 | 122.7 | |||||
| 98 | L | 27 | Very low | 31.8 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 79.5 | 97.9 | 146.3 | -77.2 | 157.4 | 0 | 0 | 0 | 120.4 | ||||
| 99 | L | 34.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 39.7 | 114.8 | 118.9 | -92 | 145.4 | 0 | 0 | 0 | 118.8 | |||||
| 100 | K | 26.2 | Very low | 31.9 | Very low | 209 Ų | 209 | 136 Ų | 136 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | -153.4 | 125.3 | 149.4 | -119.8 | 170 | -173.7 | 172.3 | 0 | 112.6 | ||||
| 101 | C | 34.7 | Very low | 32.4 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 75% | 0.75 | 75% | 0.746 | S | S | * | * | trans | -102.1 | 143.1 | 173.9 | -44.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 102 | T | 28.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 134 Ų | 134 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -154.2 | 123.8 | 161.6 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 103 | G | 33.3 | Very low | 33 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -97.5 | -137.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 104 | P | 49.6 | Very low | 33.3 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -137.5 | -135.4 | -15.9 | 41.9 | -21.2 | 0 | 0 | 0 | 112 | ||||
| 105 | F | 30.7 | Very low | 33.9 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | 82.6 | 131.6 | -175 | -56.9 | -78.1 | 0 | 0 | 0 | 114.4 | ||||
| 106 | G | 30.8 | Very low | 34 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | cis | -152.2 | -155.7 | -4.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | E | 32.8 | Very low | 34.2 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -171.5 | 143.5 | -15 | -120.3 | 171 | 165.9 | 0 | 0 | 110.8 | ||||
| 108 | L | 34.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 63.6 | 146.3 | 164.7 | -48.5 | 177 | 0 | 0 | 0 | 119.4 | ||||
| 109 | D | 34.6 | Very low | 34.9 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | cis | -161.4 | 158.2 | -9.2 | -106.2 | -15.6 | 0 | 0 | 0 | 112.6 | ||||
| 110 | D | 36.4 | Very low | 34.9 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 54.7 | 155.6 | 153.3 | -75.7 | -9.3 | 0 | 0 | 0 | 122.1 | ||||
| 111 | S | 37.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | -178.5 | 155.2 | -7.5 | 163.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 112 | D | 36.5 | Very low | 35.5 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | -160 | -168.5 | 2.7 | -129 | -97.3 | 0 | 0 | 0 | 107.6 | ||||
| 113 | C | 34.2 | Very low | 35.7 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | cis | -157.8 | 175.5 | -1.5 | -158.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 114 | G | 34.6 | Very low | 35.9 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 88 | 136.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 115 | S | 41.5 | Very low | 35.3 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 174.7 | 169.1 | -65.1 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 116 | V | 33.2 | Very low | 36.2 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 75.1 | 147.9 | 169.4 | 174.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 117 | M | 34.2 | Very low | 36.8 | Very low | 160 Ų | 160 | 131 Ų | 131 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | cis | -169.3 | 172.1 | -28.9 | -91.9 | -171.8 | 71.8 | 0 | 0 | 107.1 | ||||
| 118 | S | 38 | Very low | 37.7 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | cis | -178.4 | -172.2 | -32.6 | -77.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 119 | S | 36.4 | Very low | 38.9 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | 79 | 167.1 | 170 | 83.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 120 | T | 35.2 | Very low | 40.1 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | cis | -145.9 | 173.3 | 1.1 | -41 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | F | 38.2 | Very low | 41.7 | Very low | 196 Ų | 196 | 120.4 Ų | 120.4 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | 79.9 | 141.9 | 158.7 | -90.5 | -71.9 | 0 | 0 | 0 | 122.8 | ||||
| 122 | R | 34.6 | Very low | 43.4 | Very low | 237 Ų | 237 | 118 Ų | 118 | 89% | 0.894 | 67% | 0.674 | S | S | * | * | trans | -156.4 | 155.5 | 177.3 | -75.2 | -173.4 | 176.1 | -167.6 | 1.1 | 110.6 | ||||
| 123 | L | 34.3 | Very low | 45 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 88% | 0.88 | 67% | 0.666 | S | S | * | * | trans | -157.6 | 171.9 | 145.8 | -110.4 | 174.7 | 0 | 0 | 0 | 109.9 | ||||
| 124 | S | 36.3 | Very low | 46.6 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 58% | 0.58 | 65% | 0.648 | S | S | * | * | trans | -153.5 | 137.5 | -157.5 | 56.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 125 | T | 37.9 | Very low | 48.5 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 81% | 0.81 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -159.5 | -30.2 | 153.9 | 14.9 | 0 | 0 | 0 | 0 | 114.3 | T127 | T125-T127 PolarHBondContact O-N 2.81Š|
| 126 | E | 49.6 | Very low | 50.3 | Low | 114 Ų | 114 | 120.6 Ų | 120.6 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | trans | -69.5 | 50.1 | 177 | -68.9 | -179.1 | 159.9 | 0 | 0 | 113.2 | S128 D129 I130 R133 | E126-S128 VanDerWaalsContact C-N 3.31Å; E126-S128 PolarHBondContact O-N 2.96Å; E126-D129 HydrophobicContact CB-CB 4.35Å; E126-D129 PolarHBondContact O-N 3.13Å; E126-I130 HydrophobicContact CB-CD1 3.87Å; E126-I130 HydrophobicContact CB-CG1 3.89Å; E126-I130 VanDerWaalsContact O-CB 3.29Å; E126-I130 WeakPolarHBondContact O-CB 3.3Å; E126-I130 VanDerWaalsContact O-CG1 3.3Å; E126-I130 WeakPolarHBondContact O-CG1 3.48Å; E126-I130 PolarHBondContact O-N 3.42Å; E126-R133 IonicContact OE2-NH1 2.72Å | ||
| 127 | T | 42.3 | Very low | 52.4 | Low | 103 Ų | 103 | 119 Ų | 119 | 63% | 0.632 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -55.5 | -36.2 | -163.1 | 49.3 | 0 | 0 | 0 | 0 | 115.5 | T125 Q131 | T125-T127 PolarHBondContact O-N 2.81Å; T127-Q131 WeakPolarHBondContact O-CB 3.28Å; T127-Q131 PolarHBondContact O-N 3.08Å |
| 128 | S | 52.3 | Low | 54.7 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.7 | -45.4 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 113 | E126 Q131 S132 | E126-S128 VanDerWaalsContact C-N 3.31Å; E126-S128 PolarHBondContact O-N 2.96Å; S128-Q131 PolarHBondContact O-N 3.25Å; S128-S132 WeakPolarHBondContact O-CB 3.48Å; S128-S132 PolarHBondContact O-N 3.42Å; S128-S132 PolarHBondContact O-OG 3.13Å |
| 129 | D | 59.6 | Low | 56.7 | Low | 90 Ų | 90 | 120.6 Ų | 120.6 | 48% | 0.481 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.8 | -29.8 | 178.9 | -74 | -62 | 0 | 0 | 0 | 112.5 | E126 S132 R133 | E126-D129 HydrophobicContact CB-CB 4.35Å; E126-D129 PolarHBondContact O-N 3.13Å; D129-S132 CarbonylContact O-C 3.55Å; D129-S132 PolarHBondContact O-N 3.3Å; D129-R133 WeakPolarHBondContact O-CB 3.28Å; D129-R133 WeakPolarHBondContact O-CG 3.27Å; D129-R133 PolarHBondContact O-N 2.76Å |
| 130 | I | 59.2 | Low | 58.9 | Low | 57 Ų | 57 | 121.7 Ų | 121.7 | 29% | 0.292 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.3 | -42.3 | 167.3 | -70.2 | 166.2 | 0 | 0 | 0 | 109.6 | E126 R133 C134 | E126-I130 HydrophobicContact CB-CD1 3.87Å; E126-I130 HydrophobicContact CB-CG1 3.89Å; E126-I130 VanDerWaalsContact O-CB 3.29Å; E126-I130 WeakPolarHBondContact O-CB 3.3Å; E126-I130 VanDerWaalsContact O-CG1 3.3Å; E126-I130 WeakPolarHBondContact O-CG1 3.48Å; E126-I130 PolarHBondContact O-N 3.42Å; I130-R133 PolarHBondContact O-N 3.15Å; I130-C134 WeakPolarHBondContact O-CB 3.31Å; I130-C134 PolarHBondContact O-N 2.73Å; I130-C134 PolarHBondContact O-SG 3.44Å |
| 131 | Q | 70.8 | Confident | 61 | Low | 136 Ų | 136 | 118.8 Ų | 118.8 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.9 | -42.5 | 173.7 | -176 | 167.4 | -10.3 | 0 | 0 | 110.9 | T127 S128 C134 Q135 | T127-Q131 WeakPolarHBondContact O-CB 3.28Å; T127-Q131 PolarHBondContact O-N 3.08Å; S128-Q131 PolarHBondContact O-N 3.25Å; Q131-C134 PolarHBondContact O-N 3.43Å; Q131-Q135 VanDerWaalsContact O-CB 3.29Å; Q131-Q135 WeakPolarHBondContact O-CB 3.49Å; Q131-Q135 PolarHBondContact O-N 2.75Å |
| 132 | S | 72.8 | Confident | 63.2 | Low | 46 Ų | 46 | 117.4 Ų | 117.4 | 32% | 0.322 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71 | -29 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | S128 D129 R136 | S128-S132 WeakPolarHBondContact O-CB 3.48Å; S128-S132 PolarHBondContact O-N 3.42Å; S128-S132 PolarHBondContact O-OG 3.13Å; D129-S132 CarbonylContact O-C 3.55Å; D129-S132 PolarHBondContact O-N 3.3Å; S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 WeakPolarHBondContact O-CG 3.08Å; S132-R136 PolarHBondContact O-N 2.98Å; S132-R136 VanDerWaalsContact O-N 3.17Å; S132-R136 PolarHBondContact O-NE 2.68Å; S132-R136 VanDerWaalsContact O-NE 3.13Å |
| 133 | R | 70.7 | Confident | 65.6 | Low | 147 Ų | 147 | 109.9 Ų | 109.9 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.3 | -44.3 | 170.5 | -77 | 168.4 | 71.4 | 172.6 | 3.4 | 110.6 | E126 D129 I130 Q135 R136 V137 | E126-R133 IonicContact OE2-NH1 2.72Å; D129-R133 WeakPolarHBondContact O-CB 3.28Å; D129-R133 WeakPolarHBondContact O-CG 3.27Å; D129-R133 PolarHBondContact O-N 2.76Å; I130-R133 PolarHBondContact O-N 3.15Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.89Å; R133-R136 CarbonylContact O-C 3.53Å; R133-R136 PolarHBondContact O-N 2.96Å; R133-V137 WeakPolarHBondContact O-CB 3.49Å; R133-V137 VanDerWaalsContact O-CG2 3.24Å; R133-V137 WeakPolarHBondContact O-CG2 3.13Å; R133-V137 PolarHBondContact O-N 2.79Å |
| 134 | C | 67.1 | Low | 68 | Low | 57 Ų | 57 | 109.7 Ų | 109.7 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 172.9 | -77.6 | 0 | 0 | 0 | 0 | 111.3 | I130 Q131 V137 Y138 | I130-C134 WeakPolarHBondContact O-CB 3.31Å; I130-C134 PolarHBondContact O-N 2.73Å; I130-C134 PolarHBondContact O-SG 3.44Å; Q131-C134 PolarHBondContact O-N 3.43Å; C134-V137 CarbonylContact O-C 3.46Å; C134-V137 PolarHBondContact O-N 2.71Å; C134-Y138 HydrophobicContact CB-CD2 4.46Å; C134-Y138 HydrophobicContact CB-CE2 4.45Å; C134-Y138 WeakPolarHBondContact O-CB 3.49Å; C134-Y138 WeakPolarHBondContact O-CD2 3.34Å; C134-Y138 PolarHBondContact O-N 2.85Å |
| 135 | Q | 74.9 | Confident | 70.3 | Confident | 135 Ų | 135 | 112.6 Ų | 112.6 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.8 | -39 | 178.5 | -162.6 | 169 | 11.9 | 0 | 0 | 111.7 | Q131 R133 Q139 | Q131-Q135 VanDerWaalsContact O-CB 3.29Å; Q131-Q135 WeakPolarHBondContact O-CB 3.49Å; Q131-Q135 PolarHBondContact O-N 2.75Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.89Å; Q135-Q139 WeakPolarHBondContact O-CB 3.47Å; Q135-Q139 PolarHBondContact O-N 3.03Å |
| 136 | R | 78.3 | Confident | 72.6 | Confident | 148 Ų | 148 | 110.1 Ų | 110.1 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 168.7 | -80.2 | -177.9 | -75.6 | 176.2 | -7.2 | 112.6 | S132 R133 Q139 M140 | S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 WeakPolarHBondContact O-CG 3.08Å; S132-R136 PolarHBondContact O-N 2.98Å; S132-R136 VanDerWaalsContact O-N 3.17Å; S132-R136 PolarHBondContact O-NE 2.68Å; S132-R136 VanDerWaalsContact O-NE 3.13Å; R133-R136 CarbonylContact O-C 3.53Å; R133-R136 PolarHBondContact O-N 2.96Å; R136-Q139 PolarHBondContact O-N 3.36Å; R136-M140 WeakPolarHBondContact O-CB 3.23Å; R136-M140 VanDerWaalsContact O-CG 3.28Å; R136-M140 WeakPolarHBondContact O-CG 3.15Å; R136-M140 PolarHBondContact O-N 3.34Å |
| 137 | V | 78.7 | Confident | 74.3 | Confident | 93 Ų | 93 | 111.9 Ų | 111.9 | 56% | 0.564 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 178 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | R133 C134 M140 A141 | R133-V137 WeakPolarHBondContact O-CB 3.49Å; R133-V137 VanDerWaalsContact O-CG2 3.24Å; R133-V137 WeakPolarHBondContact O-CG2 3.13Å; R133-V137 PolarHBondContact O-N 2.79Å; C134-V137 CarbonylContact O-C 3.46Å; C134-V137 PolarHBondContact O-N 2.71Å; V137-M140 PolarHBondContact O-N 3.41Å; V137-A141 WeakPolarHBondContact O-CB 3.21Å; V137-A141 PolarHBondContact O-N 2.72Å |
| 138 | Y | 81.9 | Confident | 76.3 | Confident | 179 Ų | 179 | 113.3 Ų | 113.3 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -39.8 | 171.2 | -81.2 | -59.8 | 0 | 0 | 0 | 111.4 | C134 A141 R142 | C134-Y138 HydrophobicContact CB-CD2 4.46Å; C134-Y138 HydrophobicContact CB-CE2 4.45Å; C134-Y138 WeakPolarHBondContact O-CB 3.49Å; C134-Y138 WeakPolarHBondContact O-CD2 3.34Å; C134-Y138 PolarHBondContact O-N 2.85Å; Y138-A141 PolarHBondContact O-N 2.95Å; Y138-R142 VanDerWaalsContact O-CB 3.22Å; Y138-R142 WeakPolarHBondContact O-CB 3.29Å; Y138-R142 PolarHBondContact O-N 3.46Å |
| 139 | Q | 81 | Confident | 78 | Confident | 103 Ų | 103 | 113.9 Ų | 113.9 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 175.2 | -163.4 | 67.4 | 9.9 | 0 | 0 | 111.8 | Q135 R136 R142 N143 | Q135-Q139 WeakPolarHBondContact O-CB 3.47Å; Q135-Q139 PolarHBondContact O-N 3.03Å; R136-Q139 PolarHBondContact O-N 3.36Å; Q139-R142 PolarHBondContact O-N 3.05Å; Q139-N143 VanDerWaalsContact O-CB 3.31Å; Q139-N143 WeakPolarHBondContact O-CB 2.93Å; Q139-N143 PolarHBondContact O-N 2.76Å; Q139-N143 PolarHBondContact O-OD1 3.16Å |
| 140 | M | 81.6 | Confident | 79.3 | Confident | 136 Ų | 136 | 114.9 Ų | 114.9 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -41 | 173.2 | -73.2 | 175.2 | 113.7 | 0 | 0 | 111.8 | R136 V137 N143 Y144 | R136-M140 WeakPolarHBondContact O-CB 3.23Å; R136-M140 VanDerWaalsContact O-CG 3.28Å; R136-M140 WeakPolarHBondContact O-CG 3.15Å; R136-M140 PolarHBondContact O-N 3.34Å; V137-M140 PolarHBondContact O-N 3.41Å; M140-N143 PolarHBondContact O-N 3.14Å; M140-Y144 VanDerWaalsContact O-CB 3.26Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.48Å |
| 141 | A | 79.7 | Confident | 80.5 | Confident | 54 Ų | 54 | 117 Ų | 117 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V137 Y138 K145 | V137-A141 WeakPolarHBondContact O-CB 3.21Å; V137-A141 PolarHBondContact O-N 2.72Å; Y138-A141 PolarHBondContact O-N 2.95Å; A141-K145 WeakPolarHBondContact O-CB 3.46Å; A141-K145 PolarHBondContact O-N 2.83Å |
| 142 | R | 84.5 | Confident | 81.3 | Confident | 167 Ų | 167 | 112.9 Ų | 112.9 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | 171.7 | -173.5 | 175.3 | -174.8 | 163.8 | 3.1 | 111.3 | Y138 Q139 K145 I146 | Y138-R142 VanDerWaalsContact O-CB 3.22Å; Y138-R142 WeakPolarHBondContact O-CB 3.29Å; Y138-R142 PolarHBondContact O-N 3.46Å; Q139-R142 PolarHBondContact O-N 3.05Å; R142-K145 PolarHBondContact O-N 3.42Å; R142-I146 HydrophobicContact CG-CD1 4.12Å; R142-I146 VanDerWaalsContact O-CG1 3.27Å; R142-I146 WeakPolarHBondContact O-CG1 3.3Å; R142-I146 PolarHBondContact O-N 2.78Å |
| 143 | N | 84.2 | Confident | 81.9 | Confident | 80 Ų | 80 | 115.1 Ų | 115.1 | 43% | 0.428 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 175.6 | -70.1 | 0.6 | 0 | 0 | 0 | 111.7 | Q139 M140 I146 K147 | Q139-N143 VanDerWaalsContact O-CB 3.31Å; Q139-N143 WeakPolarHBondContact O-CB 2.93Å; Q139-N143 PolarHBondContact O-N 2.76Å; Q139-N143 PolarHBondContact O-OD1 3.16Å; M140-N143 PolarHBondContact O-N 3.14Å; N143-I146 PolarHBondContact O-N 3.48Å; N143-K147 WeakPolarHBondContact O-CB 3.49Å; N143-K147 WeakPolarHBondContact O-CG 3.46Å; N143-K147 PolarHBondContact O-N 3.18Å |
| 144 | Y | 84.4 | Confident | 82.6 | Confident | 163 Ų | 163 | 110.6 Ų | 110.6 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 173.2 | -174.9 | -89.7 | 0 | 0 | 0 | 111 | M140 I146 K147 Y148 | M140-Y144 VanDerWaalsContact O-CB 3.26Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.48Å; Y144-I146 VanDerWaalsContact C-N 3.32Å; Y144-I146 PolarHBondContact O-N 2.76Å; Y144-K147 PolarHBondContact O-N 2.79Å; Y144-Y148 VanDerWaalsContact O-CB 3.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.36Å; Y144-Y148 PolarHBondContact O-N 3.32Å |
| 145 | K | 85.7 | Confident | 83.5 | Confident | 145 Ų | 145 | 114.8 Ų | 114.8 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.1 | -42.9 | 173 | -173.4 | 178 | -179.5 | -178.8 | 0 | 111.3 | A141 R142 Y148 Q149 | A141-K145 WeakPolarHBondContact O-CB 3.46Å; A141-K145 PolarHBondContact O-N 2.83Å; R142-K145 PolarHBondContact O-N 3.42Å; K145-Y148 PolarHBondContact O-N 2.86Å; K145-Q149 WeakPolarHBondContact O-CB 3.37Å; K145-Q149 PolarHBondContact O-N 3.21Å |
| 146 | I | 86.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 115.4 Ų | 115.4 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 176 | -69.3 | 162.8 | 0 | 0 | 0 | 110.8 | R142 N143 Y144 Y148 Q149 Q150 | R142-I146 HydrophobicContact CG-CD1 4.12Å; R142-I146 VanDerWaalsContact O-CG1 3.27Å; R142-I146 WeakPolarHBondContact O-CG1 3.3Å; R142-I146 PolarHBondContact O-N 2.78Å; N143-I146 PolarHBondContact O-N 3.48Å; Y144-I146 VanDerWaalsContact C-N 3.32Å; Y144-I146 PolarHBondContact O-N 2.76Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.72Å; I146-Q149 WeakPolarHBondContact O-CB 3.35Å; I146-Q149 PolarHBondContact O-N 2.71Å; I146-Q150 HydrophobicContact CG2-CG 4.46Å; I146-Q150 WeakPolarHBondContact O-CB 3.49Å; I146-Q150 VanDerWaalsContact O-CG 3.29Å; I146-Q150 WeakPolarHBondContact O-CG 3.33Å; I146-Q150 PolarHBondContact O-N 2.78Å |
| 147 | K | 85.6 | Confident | 84.3 | Confident | 151 Ų | 151 | 111.9 Ų | 111.9 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -37.2 | 176.5 | -76.8 | -169.7 | 172 | -161.6 | 0 | 113 | N143 Y144 L151 | N143-K147 WeakPolarHBondContact O-CB 3.49Å; N143-K147 WeakPolarHBondContact O-CG 3.46Å; N143-K147 PolarHBondContact O-N 3.18Å; Y144-K147 PolarHBondContact O-N 2.79Å; K147-L151 WeakPolarHBondContact O-CB 3.33Å; K147-L151 PolarHBondContact O-N 3.35Å |
| 148 | Y | 84.5 | Confident | 84.4 | Confident | 134 Ų | 134 | 112.3 Ų | 112.3 | 53% | 0.525 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 175.2 | -173.5 | -90 | 0 | 0 | 0 | 111.2 | Y144 K145 I146 L151 V152 | Y144-Y148 VanDerWaalsContact O-CB 3.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.36Å; Y144-Y148 PolarHBondContact O-N 3.32Å; K145-Y148 PolarHBondContact O-N 2.86Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.72Å; Y148-L151 PolarHBondContact O-N 3.01Å; Y148-V152 HydrophobicContact CD1-CG2 4.05Å; Y148-V152 HydrophobicContact CE1-CG2 3.68Å; Y148-V152 WeakPolarHBondContact O-CB 3.39Å; Y148-V152 WeakPolarHBondContact O-CG2 3.36Å; Y148-V152 PolarHBondContact O-N 2.94Å |
| 149 | Q | 87.8 | Confident | 84.4 | Confident | 92 Ų | 92 | 108 Ų | 108 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 173 | -169.6 | 76.8 | 39.5 | 0 | 0 | 110.7 | K145 I146 L151 V152 E153 | K145-Q149 WeakPolarHBondContact O-CB 3.37Å; K145-Q149 PolarHBondContact O-N 3.21Å; I146-Q149 WeakPolarHBondContact O-CB 3.35Å; I146-Q149 PolarHBondContact O-N 2.71Å; Q149-L151 PolarHBondContact O-N 3.34Å; Q149-V152 PolarHBondContact O-N 2.81Å; Q149-E153 VanDerWaalsContact CG-OE1 3.32Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.37Å; Q149-E153 PolarHBondContact NE2-OE1 2.83Å; Q149-E153 VanDerWaalsContact NE2-OE1 3.16Å; Q149-E153 WeakPolarHBondContact O-CB 3.35Å; Q149-E153 WeakPolarHBondContact O-CG 3.43Å; Q149-E153 PolarHBondContact O-N 2.81Å |
| 150 | Q | 85.3 | Confident | 84.5 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 175.1 | -71.9 | 174.7 | -48.8 | 0 | 0 | 112.8 | I146 E153 A154 | I146-Q150 HydrophobicContact CG2-CG 4.46Å; I146-Q150 WeakPolarHBondContact O-CB 3.49Å; I146-Q150 VanDerWaalsContact O-CG 3.29Å; I146-Q150 WeakPolarHBondContact O-CG 3.33Å; I146-Q150 PolarHBondContact O-N 2.78Å; Q150-E153 PolarHBondContact O-N 3.05Å; Q150-A154 WeakPolarHBondContact O-CB 3.32Å; Q150-A154 PolarHBondContact O-N 3.14Å |
| 151 | L | 85 | Confident | 84.4 | Confident | 100 Ų | 100 | 104.1 Ų | 104.1 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 175.9 | -177.5 | 63.3 | 0 | 0 | 0 | 111.7 | K147 Y148 Q149 Y155 | K147-L151 WeakPolarHBondContact O-CB 3.33Å; K147-L151 PolarHBondContact O-N 3.35Å; Y148-L151 PolarHBondContact O-N 3.01Å; Q149-L151 PolarHBondContact O-N 3.34Å; L151-Y155 HydrophobicContact CD1-CD2 4.39Å; L151-Y155 WeakPolarHBondContact O-CB 3.32Å; L151-Y155 PolarHBondContact O-N 2.77Å |
| 152 | V | 88.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 106.9 Ų | 106.9 | 30% | 0.303 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 173.5 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | Y148 Q149 Y155 K156 | Y148-V152 HydrophobicContact CD1-CG2 4.05Å; Y148-V152 HydrophobicContact CE1-CG2 3.68Å; Y148-V152 WeakPolarHBondContact O-CB 3.39Å; Y148-V152 WeakPolarHBondContact O-CG2 3.36Å; Y148-V152 PolarHBondContact O-N 2.94Å; Q149-V152 PolarHBondContact O-N 2.81Å; V152-Y155 PolarHBondContact O-N 3.3Å; V152-K156 WeakPolarHBondContact O-CB 3.29Å; V152-K156 WeakPolarHBondContact O-CG 3.44Å; V152-K156 PolarHBondContact O-N 3.03Å |
| 153 | E | 85 | Confident | 84.7 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 173.5 | -76.4 | 158.6 | -167.9 | 0 | 0 | 111.1 | Q149 Q150 Y155 K156 V157 | Q149-E153 VanDerWaalsContact CG-OE1 3.32Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.37Å; Q149-E153 PolarHBondContact NE2-OE1 2.83Å; Q149-E153 VanDerWaalsContact NE2-OE1 3.16Å; Q149-E153 WeakPolarHBondContact O-CB 3.35Å; Q149-E153 WeakPolarHBondContact O-CG 3.43Å; Q149-E153 PolarHBondContact O-N 2.81Å; Q150-E153 PolarHBondContact O-N 3.05Å; E153-Y155 PolarHBondContact O-N 3.46Å; E153-K156 PolarHBondContact O-N 2.93Å; E153-V157 WeakPolarHBondContact O-CG2 3.1Å; E153-V157 PolarHBondContact O-N 3.05Å |
| 154 | A | 85 | Confident | 84.7 | Confident | 51 Ų | 51 | 103.2 Ų | 103.2 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q150 K156 V157 M158 | Q150-A154 WeakPolarHBondContact O-CB 3.32Å; Q150-A154 PolarHBondContact O-N 3.14Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 2.62Å; A154-V157 PolarHBondContact O-N 2.84Å; A154-M158 WeakPolarHBondContact O-CB 3.45Å; A154-M158 PolarHBondContact O-N 2.81Å |
| 155 | Y | 86.3 | Confident | 84.6 | Confident | 145 Ų | 145 | 100.9 Ų | 100.9 | 57% | 0.569 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 173.2 | -112.9 | -85.8 | 0 | 0 | 0 | 112.1 | L151 V152 E153 M158 E159 | L151-Y155 HydrophobicContact CD1-CD2 4.39Å; L151-Y155 WeakPolarHBondContact O-CB 3.32Å; L151-Y155 PolarHBondContact O-N 2.77Å; V152-Y155 PolarHBondContact O-N 3.3Å; E153-Y155 PolarHBondContact O-N 3.46Å; Y155-M158 PolarHBondContact O-N 2.82Å; Y155-E159 WeakPolarHBondContact O-CB 3.25Å; Y155-E159 PolarHBondContact O-N 3.19Å |
| 156 | K | 86.8 | Confident | 84.4 | Confident | 148 Ų | 148 | 99.4 Ų | 99.4 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.8 | -38.2 | 174.7 | -77.9 | 178.8 | 176 | -169 | 0 | 112.8 | V152 E153 A154 S160 | V152-K156 WeakPolarHBondContact O-CB 3.29Å; V152-K156 WeakPolarHBondContact O-CG 3.44Å; V152-K156 PolarHBondContact O-N 3.03Å; E153-K156 PolarHBondContact O-N 2.93Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 2.62Å; K156-S160 WeakPolarHBondContact O-CB 3.2Å; K156-S160 PolarHBondContact O-N 2.78Å; K156-S160 PolarHBondContact O-OG 3.32Å |
| 157 | V | 83.5 | Confident | 84.3 | Confident | 74 Ų | 74 | 102.2 Ų | 102.2 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -51.4 | 172.7 | 172.4 | 0 | 0 | 0 | 0 | 109.6 | E153 A154 E159 S160 E161 | E153-V157 WeakPolarHBondContact O-CG2 3.1Å; E153-V157 PolarHBondContact O-N 3.05Å; A154-V157 PolarHBondContact O-N 2.84Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3.3Å; V157-S160 CarbonylContact O-C 3.53Å; V157-S160 WeakPolarHBondContact O-CA 3.38Å; V157-S160 WeakPolarHBondContact O-CB 3.46Å; V157-S160 PolarHBondContact O-N 3.33Å; V157-S160 PolarHBondContact O-OG 3.14Å; V157-E161 HydrophobicContact CG1-CG 4.37Å; V157-E161 WeakPolarHBondContact O-CG 3.22Å; V157-E161 PolarHBondContact O-N 2.92Å |
| 158 | M | 81.2 | Confident | 84 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 51% | 0.507 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 177.5 | -168.8 | -167.6 | -53.8 | 0 | 0 | 112.9 | A154 Y155 E161 R162 | A154-M158 WeakPolarHBondContact O-CB 3.45Å; A154-M158 PolarHBondContact O-N 2.81Å; Y155-M158 PolarHBondContact O-N 2.82Å; M158-E161 PolarHBondContact O-N 2.83Å; M158-R162 VanDerWaalsContact O-CB 3.24Å; M158-R162 WeakPolarHBondContact O-CB 3.48Å; M158-R162 PolarHBondContact O-N 3.16Å |
| 159 | E | 81.5 | Confident | 83.7 | Confident | 88 Ų | 88 | 99.1 Ų | 99.1 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 173.3 | -169.5 | 81.7 | -101.6 | 0 | 0 | 111.2 | Y155 V157 R162 N163 | Y155-E159 WeakPolarHBondContact O-CB 3.25Å; Y155-E159 PolarHBondContact O-N 3.19Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3.3Å; E159-R162 PolarHBondContact O-N 3.5Å; E159-R162 IonicContact OE1-CZ 3.76Å; E159-R162 IonicContact OE1-NE 2.83Å; E159-R162 PolarHBondContact OE1-NE 3.16Å; E159-R162 IonicContact OE1-NH2 3.79Å; E159-R162 PolarHBondContact OE1-NH2 3.03Å; E159-N163 WeakPolarHBondContact O-CB 3.28Å; E159-N163 PolarHBondContact O-N 3.35Å; E159-N163 PolarHBondContact O-ND2 2.84Å |
| 160 | S | 82.2 | Confident | 83.4 | Confident | 53 Ų | 53 | 97.3 Ų | 97.3 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 174.9 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | K156 V157 N163 N164 | K156-S160 WeakPolarHBondContact O-CB 3.2Å; K156-S160 PolarHBondContact O-N 2.78Å; K156-S160 PolarHBondContact O-OG 3.32Å; V157-S160 CarbonylContact O-C 3.53Å; V157-S160 WeakPolarHBondContact O-CA 3.38Å; V157-S160 WeakPolarHBondContact O-CB 3.46Å; V157-S160 PolarHBondContact O-N 3.33Å; V157-S160 PolarHBondContact O-OG 3.14Å; S160-N163 PolarHBondContact O-N 3.18Å; S160-N164 WeakPolarHBondContact O-CB 3.37Å; S160-N164 PolarHBondContact O-N 3.27Å; S160-N164 PolarHBondContact O-ND2 2.98Å; S160-N164 PolarHBondContact O-OD1 2.96Å |
| 161 | E | 80.4 | Confident | 83 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 173.5 | -71 | 170.8 | 163.4 | 0 | 0 | 111.1 | V157 M158 N163 N164 L165 | V157-E161 HydrophobicContact CG1-CG 4.37Å; V157-E161 WeakPolarHBondContact O-CG 3.22Å; V157-E161 PolarHBondContact O-N 2.92Å; M158-E161 PolarHBondContact O-N 2.83Å; E161-N163 VanDerWaalsContact C-N 3.34Å; E161-N163 PolarHBondContact O-N 2.78Å; E161-N164 PolarHBondContact O-N 3.26Å; E161-L165 WeakPolarHBondContact O-CB 3.45Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.43Å |
| 162 | R | 85.9 | Confident | 83 | Confident | 112 Ų | 112 | 95.3 Ų | 95.3 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 172.9 | -167.5 | -164.5 | 62.4 | 57.2 | 5 | 111.5 | M158 E159 Q166 | M158-R162 VanDerWaalsContact O-CB 3.24Å; M158-R162 WeakPolarHBondContact O-CB 3.48Å; M158-R162 PolarHBondContact O-N 3.16Å; E159-R162 PolarHBondContact O-N 3.5Å; E159-R162 IonicContact OE1-CZ 3.76Å; E159-R162 IonicContact OE1-NE 2.83Å; E159-R162 PolarHBondContact OE1-NE 3.16Å; E159-R162 IonicContact OE1-NH2 3.79Å; E159-R162 PolarHBondContact OE1-NH2 3.03Å; R162-Q166 VanDerWaalsContact O-CB 3.25Å; R162-Q166 WeakPolarHBondContact O-CB 3.47Å; R162-Q166 PolarHBondContact O-N 3.3Å |
| 163 | N | 83.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 175.8 | -72.1 | -36.6 | 0 | 0 | 0 | 112 | E159 S160 E161 Q166 Q167 | E159-N163 WeakPolarHBondContact O-CB 3.28Å; E159-N163 PolarHBondContact O-N 3.35Å; E159-N163 PolarHBondContact O-ND2 2.84Å; S160-N163 PolarHBondContact O-N 3.18Å; E161-N163 VanDerWaalsContact C-N 3.34Å; E161-N163 PolarHBondContact O-N 2.78Å; N163-Q166 PolarHBondContact O-N 2.89Å; N163-Q167 WeakPolarHBondContact O-CB 3.23Å; N163-Q167 PolarHBondContact O-N 3.22Å |
| 164 | N | 85 | Confident | 82.3 | Confident | 98 Ų | 98 | 96.2 Ų | 96.2 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 175.6 | -69.7 | -15.5 | 0 | 0 | 0 | 111.2 | S160 E161 Q167 L168 | S160-N164 WeakPolarHBondContact O-CB 3.37Å; S160-N164 PolarHBondContact O-N 3.27Å; S160-N164 PolarHBondContact O-ND2 2.98Å; S160-N164 PolarHBondContact O-OD1 2.96Å; E161-N164 PolarHBondContact O-N 3.26Å; N164-Q167 PolarHBondContact O-N 2.9Å; N164-L168 VanDerWaalsContact O-CB 3.3Å; N164-L168 WeakPolarHBondContact O-CB 3.19Å; N164-L168 PolarHBondContact O-N 3.07Å |
| 165 | L | 82 | Confident | 82.1 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 175 | -73.1 | 170.3 | 0 | 0 | 0 | 112 | E161 Q167 L168 L169 | E161-L165 WeakPolarHBondContact O-CB 3.45Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.43Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; L165-L168 HydrophobicContact CD2-CD2 4.46Å; L165-L168 PolarHBondContact O-N 3.04Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.49Å |
| 166 | Q | 82.1 | Confident | 81.7 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 174.7 | -171.2 | 172.2 | 9 | 0 | 0 | 111.7 | R162 N163 A170 | R162-Q166 VanDerWaalsContact O-CB 3.25Å; R162-Q166 WeakPolarHBondContact O-CB 3.47Å; R162-Q166 PolarHBondContact O-N 3.3Å; N163-Q166 PolarHBondContact O-N 2.89Å; Q166-A170 WeakPolarHBondContact O-CB 3.38Å; Q166-A170 PolarHBondContact O-N 3.22Å |
| 167 | Q | 83.1 | Confident | 81.2 | Confident | 139 Ų | 139 | 91.2 Ų | 91.2 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.3 | -36.4 | 174.1 | -168.7 | 173.5 | 12.5 | 0 | 0 | 112 | N163 N164 L165 S171 | N163-Q167 WeakPolarHBondContact O-CB 3.23Å; N163-Q167 PolarHBondContact O-N 3.22Å; N164-Q167 PolarHBondContact O-N 2.9Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-S171 VanDerWaalsContact O-CB 3.23Å; Q167-S171 WeakPolarHBondContact O-CB 3.09Å; Q167-S171 PolarHBondContact O-N 2.81Å |
| 168 | L | 80.6 | Confident | 81.1 | Confident | 117 Ų | 117 | 90.3 Ų | 90.3 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -43.8 | 172.7 | -170 | 74.2 | 0 | 0 | 0 | 111 | N164 L165 S171 H172 | N164-L168 VanDerWaalsContact O-CB 3.3Å; N164-L168 WeakPolarHBondContact O-CB 3.19Å; N164-L168 PolarHBondContact O-N 3.07Å; L165-L168 HydrophobicContact CD2-CD2 4.46Å; L165-L168 PolarHBondContact O-N 3.04Å; L168-S171 WeakPolarHBondContact O-CB 3.26Å; L168-S171 PolarHBondContact O-N 2.85Å; L168-H172 WeakPolarHBondContact O-CB 3.3Å; L168-H172 PolarHBondContact O-N 2.62Å |
| 169 | L | 78.3 | Confident | 80.6 | Confident | 103 Ų | 103 | 88.1 Ų | 88.1 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.5 | -174.5 | 67.7 | 0 | 0 | 0 | 111.5 | L165 S171 H172 Q173 | L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.49Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 2.79Å; L169-H172 PolarHBondContact O-N 2.94Å; L169-Q173 WeakPolarHBondContact O-CB 3.37Å; L169-Q173 WeakPolarHBondContact O-CG 3.45Å; L169-Q173 PolarHBondContact O-N 3.27Å |
| 170 | A | 80 | Confident | 80.1 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q166 A174 | Q166-A170 WeakPolarHBondContact O-CB 3.38Å; Q166-A170 PolarHBondContact O-N 3.22Å; A170-A174 VanDerWaalsContact O-CB 3.25Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.45Å |
| 171 | S | 78.4 | Confident | 79.9 | Confident | 59 Ų | 59 | 87.3 Ų | 87.3 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 173 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | Q167 L168 L169 A174 K175 | Q167-S171 VanDerWaalsContact O-CB 3.23Å; Q167-S171 WeakPolarHBondContact O-CB 3.09Å; Q167-S171 PolarHBondContact O-N 2.81Å; L168-S171 WeakPolarHBondContact O-CB 3.26Å; L168-S171 PolarHBondContact O-N 2.85Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 2.79Å; S171-A174 PolarHBondContact O-N 2.9Å; S171-K175 WeakPolarHBondContact O-CB 3.28Å; S171-K175 WeakPolarHBondContact O-CG 3.39Å; S171-K175 PolarHBondContact O-N 3.19Å |
| 172 | H | 83.5 | Confident | 79.6 | Confident | 111 Ų | 111 | 85.2 Ų | 85.2 | 51% | 0.514 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 176.4 | -165.5 | -79.8 | 0 | 0 | 0 | 112 | L168 L169 A174 K175 T176 | L168-H172 WeakPolarHBondContact O-CB 3.3Å; L168-H172 PolarHBondContact O-N 2.62Å; L169-H172 PolarHBondContact O-N 2.94Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.46Å; H172-K175 PolarHBondContact O-N 2.72Å; H172-T176 PolarHBondContact CE1-OG1 3.26Å; H172-T176 PolarHBondContact ND1-OG1 3.26Å; H172-T176 WeakPolarHBondContact O-CB 3.45Å; H172-T176 PolarHBondContact O-N 2.87Å; H172-T176 PolarHBondContact O-OG1 3.46Å |
| 173 | Q | 78.2 | Confident | 79 | Confident | 109 Ų | 109 | 85.5 Ų | 85.5 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.5 | -75.9 | 180 | -33.2 | 0 | 0 | 111.3 | L169 T176 S177 | L169-Q173 WeakPolarHBondContact O-CB 3.37Å; L169-Q173 WeakPolarHBondContact O-CG 3.45Å; L169-Q173 PolarHBondContact O-N 3.27Å; Q173-T176 PolarHBondContact O-N 2.92Å; Q173-S177 WeakPolarHBondContact O-CB 3.45Å; Q173-S177 PolarHBondContact O-N 3.28Å |
| 174 | A | 81.7 | Confident | 78.8 | Confident | 53 Ų | 53 | 89.8 Ų | 89.8 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A170 S171 H172 S177 K178 | A170-A174 VanDerWaalsContact O-CB 3.25Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.45Å; S171-A174 PolarHBondContact O-N 2.9Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.46Å; A174-S177 CarbonylContact O-C 3.57Å; A174-S177 PolarHBondContact O-N 2.96Å; A174-K178 VanDerWaalsContact O-CG 3.22Å; A174-K178 WeakPolarHBondContact O-CG 3.47Å; A174-K178 PolarHBondContact O-N 3.25Å |
| 175 | K | 81.3 | Confident | 78.7 | Confident | 137 Ų | 137 | 89.2 Ų | 89.2 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 175.7 | -77 | -179.1 | 178.1 | -169.3 | 0 | 113.4 | S171 H172 S177 K178 S179 | S171-K175 WeakPolarHBondContact O-CB 3.28Å; S171-K175 WeakPolarHBondContact O-CG 3.39Å; S171-K175 PolarHBondContact O-N 3.19Å; H172-K175 PolarHBondContact O-N 2.72Å; K175-S177 VanDerWaalsContact C-N 3.32Å; K175-K178 WeakPolarHBondContact O-CB 3.3Å; K175-K178 PolarHBondContact O-N 3.18Å; K175-K178 VanDerWaalsContact O-N 3.13Å; K175-S179 PolarHBondContact O-N 2.81Å |
| 176 | T | 77.5 | Confident | 78.3 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 32% | 0.319 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.7 | -43.5 | 0 | 0 | 0 | 0 | 109.6 | H172 Q173 S179 V180 | H172-T176 PolarHBondContact CE1-OG1 3.26Å; H172-T176 PolarHBondContact ND1-OG1 3.26Å; H172-T176 WeakPolarHBondContact O-CB 3.45Å; H172-T176 PolarHBondContact O-N 2.87Å; H172-T176 PolarHBondContact O-OG1 3.46Å; Q173-T176 PolarHBondContact O-N 2.92Å; T176-S179 PolarHBondContact O-N 3.22Å; T176-V180 WeakPolarHBondContact O-CB 3.48Å; T176-V180 VanDerWaalsContact O-CG2 3.32Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å; T176-V180 PolarHBondContact O-N 2.62Å |
| 177 | S | 76.8 | Confident | 78.1 | Confident | 51 Ų | 51 | 89 Ų | 89 | 36% | 0.357 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 170.7 | 172.1 | 0 | 0 | 0 | 0 | 112.9 | Q173 A174 K175 D181 R1537 | Q173-S177 WeakPolarHBondContact O-CB 3.45Å; Q173-S177 PolarHBondContact O-N 3.28Å; A174-S177 CarbonylContact O-C 3.57Å; A174-S177 PolarHBondContact O-N 2.96Å; K175-S177 VanDerWaalsContact C-N 3.32Å; S177-D181 VanDerWaalsContact O-CB 3.28Å; S177-D181 WeakPolarHBondContact O-CB 3.44Å; S177-D181 PolarHBondContact O-N 2.9Å; S177-D181 VanDerWaalsContact O-OD2 3.08Å; S177-D181 PolarHBondContact OG-OD2 3.42Å; S177-R1537 VanDerWaalsContact C-NH1 3.3Å; S177-R1537 PolarHBondContact O-NH1 2.76Å; S177-R1537 PolarHBondContact OG-NH1 2.83Å |
| 178 | K | 79.6 | Confident | 77.9 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 24% | 0.239 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.9 | -55.4 | 169.4 | -59 | -155.8 | 172.9 | -173.4 | 0 | 110.5 | A174 K175 V180 D181 E182 R1537 E1540 | A174-K178 VanDerWaalsContact O-CG 3.22Å; A174-K178 WeakPolarHBondContact O-CG 3.47Å; A174-K178 PolarHBondContact O-N 3.25Å; K175-K178 WeakPolarHBondContact O-CB 3.3Å; K175-K178 PolarHBondContact O-N 3.18Å; K175-K178 VanDerWaalsContact O-N 3.13Å; K178-V180 VanDerWaalsContact C-N 3.35Å; K178-V180 PolarHBondContact O-N 2.7Å; K178-D181 PolarHBondContact O-N 3.4Å; K178-E182 WeakPolarHBondContact O-CB 3.39Å; K178-E182 VanDerWaalsContact O-CD 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 3.14Å; K178-R1537 HydrophobicContact CD-CB 3.94Å; K178-R1537 HydrophobicContact CD-CG 3.82Å; K178-R1537 HydrophobicContact CG-CB 4.48Å; K178-R1537 HydrophobicContact CG-CG 4.08Å; K178-R1537 VanDerWaalsContact N-NH1 3.17Å; K178-E1540 IonicContact NZ-OE2 2.6Å; K178-E1540 PolarHBondContact NZ-OE2 2.87Å |
| 179 | S | 71.8 | Confident | 77.9 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 113 | K175 T176 E182 M183 | K175-S179 PolarHBondContact O-N 2.81Å; T176-S179 PolarHBondContact O-N 3.22Å; S179-E182 PolarHBondContact O-N 3.5Å; S179-M183 WeakPolarHBondContact O-CB 3.5Å; S179-M183 WeakPolarHBondContact O-CG 3.38Å; S179-M183 PolarHBondContact O-N 3.12Å |
| 180 | V | 70.7 | Confident | 77.7 | Confident | 53 Ų | 53 | 84.2 Ų | 84.2 | 32% | 0.321 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 176 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | T176 K178 E182 M183 Y184 | T176-V180 WeakPolarHBondContact O-CB 3.48Å; T176-V180 VanDerWaalsContact O-CG2 3.32Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å; T176-V180 PolarHBondContact O-N 2.62Å; K178-V180 VanDerWaalsContact C-N 3.35Å; K178-V180 PolarHBondContact O-N 2.7Å; V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 3.33Å; V180-M183 HydrophobicContact CG2-CE 4.17Å; V180-M183 PolarHBondContact O-N 2.79Å; V180-Y184 HydrophobicContact CG1-CD2 3.7Å; V180-Y184 HydrophobicContact CG1-CE2 3.53Å; V180-Y184 VanDerWaalsContact O-CD2 3.24Å; V180-Y184 WeakPolarHBondContact O-CD2 3.4Å; V180-Y184 PolarHBondContact O-N 3.23Å |
| 181 | D | 77.2 | Confident | 77.7 | Confident | 71 Ų | 71 | 86.5 Ų | 86.5 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 174.6 | -65.6 | -22.7 | 0 | 0 | 0 | 110.9 | S177 K178 K185 R1537 | S177-D181 VanDerWaalsContact O-CB 3.28Å; S177-D181 WeakPolarHBondContact O-CB 3.44Å; S177-D181 PolarHBondContact O-N 2.9Å; S177-D181 VanDerWaalsContact O-OD2 3.08Å; S177-D181 PolarHBondContact OG-OD2 3.42Å; K178-D181 PolarHBondContact O-N 3.4Å; D181-K185 VanDerWaalsContact O-CB 3.26Å; D181-K185 WeakPolarHBondContact O-CB 3.31Å; D181-K185 PolarHBondContact O-N 2.75Å; D181-R1537 IonicContact OD2-CZ 3.75Å; D181-R1537 IonicContact OD2-NH1 2.72Å; D181-R1537 PolarHBondContact OD2-NH1 2.95Å; D181-R1537 IonicContact OD2-NH2 3.65Å; D181-R1537 PolarHBondContact OD2-NH2 2.79Å |
| 182 | E | 74.6 | Confident | 77.8 | Confident | 60 Ų | 60 | 89 Ų | 89 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175 | -73.3 | 157.1 | -154.4 | 0 | 0 | 112 | K178 S179 V180 K185 K186 | K178-E182 WeakPolarHBondContact O-CB 3.39Å; K178-E182 VanDerWaalsContact O-CD 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 3.14Å; S179-E182 PolarHBondContact O-N 3.5Å; V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 3.33Å; E182-K185 PolarHBondContact O-N 3.45Å; E182-K186 WeakPolarHBondContact O-CB 3.41Å; E182-K186 PolarHBondContact O-N 3.49Å |
| 183 | M | 73.7 | Confident | 77.7 | Confident | 118 Ų | 118 | 87.7 Ų | 87.7 | 58% | 0.581 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.6 | -43.3 | 174.9 | -77.6 | -165.6 | -59.5 | 0 | 0 | 112.7 | S179 V180 K185 K186 L187 | S179-M183 WeakPolarHBondContact O-CB 3.5Å; S179-M183 WeakPolarHBondContact O-CG 3.38Å; S179-M183 PolarHBondContact O-N 3.12Å; V180-M183 HydrophobicContact CG2-CE 4.17Å; V180-M183 PolarHBondContact O-N 2.79Å; M183-K185 VanDerWaalsContact C-N 3.3Å; M183-K185 PolarHBondContact O-N 2.99Å; M183-K186 PolarHBondContact O-N 2.87Å; M183-L187 WeakPolarHBondContact O-CB 3.4Å; M183-L187 PolarHBondContact O-N 2.74Å |
| 184 | Y | 79.9 | Confident | 77.8 | Confident | 162 Ų | 162 | 88.5 Ų | 88.5 | 64% | 0.635 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 174.1 | -82.6 | -63 | 0 | 0 | 0 | 111.7 | V180 L187 E188 | V180-Y184 HydrophobicContact CG1-CD2 3.7Å; V180-Y184 HydrophobicContact CG1-CE2 3.53Å; V180-Y184 VanDerWaalsContact O-CD2 3.24Å; V180-Y184 WeakPolarHBondContact O-CD2 3.4Å; V180-Y184 PolarHBondContact O-N 3.23Å; Y184-L187 PolarHBondContact O-N 2.77Å; Y184-E188 WeakPolarHBondContact O-CB 3.41Å; Y184-E188 PolarHBondContact O-N 3.37Å |
| 185 | K | 81.8 | Confident | 77.8 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 176.3 | -175.2 | 174.1 | 173.3 | -105.4 | 0 | 112.5 | D181 E182 M183 L189 D1538 | D181-K185 VanDerWaalsContact O-CB 3.26Å; D181-K185 WeakPolarHBondContact O-CB 3.31Å; D181-K185 PolarHBondContact O-N 2.75Å; E182-K185 PolarHBondContact O-N 3.45Å; M183-K185 VanDerWaalsContact C-N 3.3Å; M183-K185 PolarHBondContact O-N 2.99Å; K185-L189 PolarHBondContact O-N 3.47Å; K185-L189 VanDerWaalsContact O-N 3.11Å; K185-D1538 IonicContact NZ-OD2 2.72Å; K185-D1538 PolarHBondContact NZ-OD2 2.86Å |
| 186 | K | 74.2 | Confident | 77.7 | Confident | 129 Ų | 129 | 88.9 Ų | 88.9 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68 | -47 | 172.3 | -170.5 | -178.6 | 174.5 | -175.1 | 0 | 111.2 | E182 M183 E188 L189 D190 | E182-K186 WeakPolarHBondContact O-CB 3.41Å; E182-K186 PolarHBondContact O-N 3.49Å; M183-K186 PolarHBondContact O-N 2.87Å; K186-E188 PolarHBondContact O-N 3.39Å; K186-L189 CarbonylContact O-C 3.51Å; K186-L189 WeakPolarHBondContact O-CB 3.34Å; K186-L189 PolarHBondContact O-N 2.86Å; K186-D190 WeakPolarHBondContact CE-OD2 3.43Å; K186-D190 WeakPolarHBondContact O-CB 3.48Å; K186-D190 VanDerWaalsContact O-CG 3.27Å; K186-D190 PolarHBondContact O-N 3.44Å |
| 187 | L | 76.6 | Confident | 77.7 | Confident | 93 Ų | 93 | 91 Ų | 91 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.1 | -36 | 176.6 | -178 | 64.5 | 0 | 0 | 0 | 112.2 | M183 Y184 K191 | M183-L187 WeakPolarHBondContact O-CB 3.4Å; M183-L187 PolarHBondContact O-N 2.74Å; Y184-L187 PolarHBondContact O-N 2.77Å; L187-K191 VanDerWaalsContact O-CG 3.31Å; L187-K191 WeakPolarHBondContact O-CG 3.41Å; L187-K191 PolarHBondContact O-N 2.68Å |
| 188 | E | 79.2 | Confident | 77.8 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 42% | 0.421 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -73.7 | -35.1 | 175.9 | -162.4 | 66.5 | -175.1 | 0 | 0 | 112.9 | Y184 K186 K191 Q192 | Y184-E188 WeakPolarHBondContact O-CB 3.41Å; Y184-E188 PolarHBondContact O-N 3.37Å; K186-E188 PolarHBondContact O-N 3.39Å; E188-K191 IonicContact OE2-NZ 2.69Å; E188-K191 PolarHBondContact OE2-NZ 2.75Å; E188-Q192 WeakPolarHBondContact O-CG 3.27Å; E188-Q192 PolarHBondContact O-N 3.43Å |
| 189 | L | 81.9 | Confident | 78 | Confident | 89 Ų | 89 | 95.2 Ų | 95.2 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 171 | -80.6 | 163.8 | 0 | 0 | 0 | 112.2 | K185 K186 K191 Q192 T193 | K185-L189 PolarHBondContact O-N 3.47Å; K185-L189 VanDerWaalsContact O-N 3.11Å; K186-L189 CarbonylContact O-C 3.51Å; K186-L189 WeakPolarHBondContact O-CB 3.34Å; K186-L189 PolarHBondContact O-N 2.86Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 2.81Å; L189-Q192 PolarHBondContact O-N 3.33Å; L189-T193 WeakPolarHBondContact O-CB 3.14Å; L189-T193 PolarHBondContact O-N 3.16Å; L189-T193 PolarHBondContact O-OG1 2.8Å |
| 190 | D | 73.1 | Confident | 78.3 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.4 | -66.1 | -17.8 | 0 | 0 | 0 | 110.2 | K186 K194 | K186-D190 WeakPolarHBondContact CE-OD2 3.43Å; K186-D190 WeakPolarHBondContact O-CB 3.48Å; K186-D190 VanDerWaalsContact O-CG 3.27Å; K186-D190 PolarHBondContact O-N 3.44Å; D190-K194 WeakPolarHBondContact O-CB 3.37Å; D190-K194 PolarHBondContact O-N 3.45Å |
| 191 | K | 79.9 | Confident | 78.5 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 168.7 | -75.9 | 177.6 | -157.6 | 159.7 | 0 | 112.8 | L187 E188 L189 T193 K194 D195 | L187-K191 VanDerWaalsContact O-CG 3.31Å; L187-K191 WeakPolarHBondContact O-CG 3.41Å; L187-K191 PolarHBondContact O-N 2.68Å; E188-K191 IonicContact OE2-NZ 2.69Å; E188-K191 PolarHBondContact OE2-NZ 2.75Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 2.81Å; K191-T193 VanDerWaalsContact C-N 3.25Å; K191-T193 PolarHBondContact O-N 3.49Å; K191-K194 CarbonylContact O-C 3.36Å; K191-K194 WeakPolarHBondContact O-CB 3.43Å; K191-K194 PolarHBondContact O-N 2.68Å; K191-K194 VanDerWaalsContact O-N 3.11Å; K191-D195 PolarHBondContact O-N 3.48Å |
| 192 | Q | 81.6 | Confident | 78.9 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | -180 | -75 | 176.4 | 11.9 | 0 | 0 | 111.3 | E188 L189 D195 E196 | E188-Q192 WeakPolarHBondContact O-CG 3.27Å; E188-Q192 PolarHBondContact O-N 3.43Å; L189-Q192 PolarHBondContact O-N 3.33Å; Q192-D195 PolarHBondContact O-N 2.63Å; Q192-E196 WeakPolarHBondContact O-CB 3.44Å; Q192-E196 PolarHBondContact O-N 2.78Å |
| 193 | T | 79.7 | Confident | 79.3 | Confident | 85 Ų | 85 | 109.3 Ų | 109.3 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | L189 K191 E196 L197 | L189-T193 WeakPolarHBondContact O-CB 3.14Å; L189-T193 PolarHBondContact O-N 3.16Å; L189-T193 PolarHBondContact O-OG1 2.8Å; K191-T193 VanDerWaalsContact C-N 3.25Å; K191-T193 PolarHBondContact O-N 3.49Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-L197 WeakPolarHBondContact O-CB 3.38Å; T193-L197 PolarHBondContact O-N 2.76Å |
| 194 | K | 80.6 | Confident | 79.7 | Confident | 126 Ų | 126 | 108 Ų | 108 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 173.7 | -175.5 | -173.3 | 171.5 | -168.6 | 0 | 112.1 | D190 K191 E196 L197 E198 | D190-K194 WeakPolarHBondContact O-CB 3.37Å; D190-K194 PolarHBondContact O-N 3.45Å; K191-K194 CarbonylContact O-C 3.36Å; K191-K194 WeakPolarHBondContact O-CB 3.43Å; K191-K194 PolarHBondContact O-N 2.68Å; K191-K194 VanDerWaalsContact O-N 3.11Å; K194-E196 PolarHBondContact O-N 2.77Å; K194-L197 PolarHBondContact O-N 2.93Å; K194-E198 WeakPolarHBondContact CE-OE1 3.2Å; K194-E198 IonicContact NZ-OE1 3.87Å; K194-E198 PolarHBondContact O-N 3.31Å |
| 195 | D | 82.7 | Confident | 79.5 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 179 | -75.6 | -5.2 | 0 | 0 | 0 | 111.9 | K191 Q192 R199 | K191-D195 PolarHBondContact O-N 3.48Å; Q192-D195 PolarHBondContact O-N 2.63Å; D195-R199 VanDerWaalsContact O-CB 3.26Å; D195-R199 WeakPolarHBondContact O-CB 3.17Å; D195-R199 PolarHBondContact O-N 3.37Å; D195-R199 PolarHBondContact O-NH2 2.81Å; D195-R199 VanDerWaalsContact O-NH2 3.07Å |
| 196 | E | 79.1 | Confident | 79.5 | Confident | 109 Ų | 109 | 104.6 Ų | 104.6 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74 | -43.4 | 172.6 | -164.5 | 119.8 | -100.6 | 0 | 0 | 111.3 | Q192 T193 K194 E198 R199 D200 | Q192-E196 WeakPolarHBondContact O-CB 3.44Å; Q192-E196 PolarHBondContact O-N 2.78Å; T193-E196 PolarHBondContact O-N 3.25Å; K194-E196 PolarHBondContact O-N 2.77Å; E196-E198 PolarHBondContact O-N 2.84Å; E196-R199 WeakPolarHBondContact O-CB 3.45Å; E196-R199 PolarHBondContact O-N 2.84Å; E196-R199 VanDerWaalsContact O-N 3.09Å; E196-R199 IonicContact OE1-NH1 3.19Å; E196-R199 PolarHBondContact OE1-NH1 3.15Å; E196-D200 PolarHBondContact O-N 3.49Å |
| 197 | L | 76.8 | Confident | 79.8 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.6 | -144.9 | 80 | 0 | 0 | 0 | 112.2 | T193 K194 R199 D200 F201 | T193-L197 WeakPolarHBondContact O-CB 3.38Å; T193-L197 PolarHBondContact O-N 2.76Å; K194-L197 PolarHBondContact O-N 2.93Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 3.47Å; L197-D200 PolarHBondContact O-N 3.26Å; L197-F201 HydrophobicContact CD2-CE2 3.79Å; L197-F201 HydrophobicContact CD2-CZ 4.46Å; L197-F201 HydrophobicContact CG-CD2 4.3Å; L197-F201 HydrophobicContact CG-CE2 3.92Å; L197-F201 WeakPolarHBondContact O-CB 3.18Å; L197-F201 WeakPolarHBondContact O-CD2 3.34Å; L197-F201 WeakPolarHBondContact O-CG 3.31Å; L197-F201 PolarHBondContact O-N 2.83Å |
| 198 | E | 78.8 | Confident | 80.1 | Confident | 68 Ų | 68 | 103.7 Ų | 103.7 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 172 | -83.4 | -160.7 | -144.1 | 0 | 0 | 112.1 | K194 E196 R202 | K194-E198 WeakPolarHBondContact CE-OE1 3.2Å; K194-E198 IonicContact NZ-OE1 3.87Å; K194-E198 PolarHBondContact O-N 3.31Å; E196-E198 PolarHBondContact O-N 2.84Å; E198-R202 WeakPolarHBondContact O-CB 3.13Å; E198-R202 WeakPolarHBondContact O-CG 3.17Å; E198-R202 PolarHBondContact O-N 2.8Å; E198-R202 IonicContact OE2-CZ 2.93Å; E198-R202 IonicContact OE2-NE 2.7Å; E198-R202 IonicContact OE2-NH2 2.69Å; E198-R202 PolarHBondContact OE2-NH2 3.41Å |
| 199 | R | 84.6 | Confident | 80.2 | Confident | 127 Ų | 127 | 104.6 Ų | 104.6 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 177.9 | -168.5 | -177.6 | -51.5 | 120 | 15.8 | 111.3 | D195 E196 L197 R202 R203 | D195-R199 VanDerWaalsContact O-CB 3.26Å; D195-R199 WeakPolarHBondContact O-CB 3.17Å; D195-R199 PolarHBondContact O-N 3.37Å; D195-R199 PolarHBondContact O-NH2 2.81Å; D195-R199 VanDerWaalsContact O-NH2 3.07Å; E196-R199 WeakPolarHBondContact O-CB 3.45Å; E196-R199 PolarHBondContact O-N 2.84Å; E196-R199 VanDerWaalsContact O-N 3.09Å; E196-R199 IonicContact OE1-NH1 3.19Å; E196-R199 PolarHBondContact OE1-NH1 3.15Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 3.47Å; R199-R202 PolarHBondContact O-N 3.19Å; R199-R203 WeakPolarHBondContact O-CB 3.5Å; R199-R203 PolarHBondContact O-N 2.87Å |
| 200 | D | 77.8 | Confident | 80.2 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 173.5 | -83.8 | -8.4 | 0 | 0 | 0 | 112 | E196 L197 R203 L204 | E196-D200 PolarHBondContact O-N 3.49Å; L197-D200 PolarHBondContact O-N 3.26Å; D200-R203 PolarHBondContact O-N 3.02Å; D200-L204 VanDerWaalsContact O-CB 3.23Å; D200-L204 WeakPolarHBondContact O-CB 3.25Å; D200-L204 PolarHBondContact O-N 2.68Å |
| 201 | F | 74.5 | Confident | 80.6 | Confident | 126 Ų | 126 | 106 Ų | 106 | 55% | 0.553 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 170.9 | -77.1 | -49 | 0 | 0 | 0 | 112.1 | L197 R203 L204 L205 | L197-F201 HydrophobicContact CD2-CE2 3.79Å; L197-F201 HydrophobicContact CD2-CZ 4.46Å; L197-F201 HydrophobicContact CG-CD2 4.3Å; L197-F201 HydrophobicContact CG-CE2 3.92Å; L197-F201 WeakPolarHBondContact O-CB 3.18Å; L197-F201 WeakPolarHBondContact O-CD2 3.34Å; L197-F201 WeakPolarHBondContact O-CG 3.31Å; L197-F201 PolarHBondContact O-N 2.83Å; F201-R203 VanDerWaalsContact C-N 3.35Å; F201-R203 PolarHBondContact O-N 3.46Å; F201-L204 PolarHBondContact O-N 3.43Å; F201-L205 VanDerWaalsContact O-CB 3.26Å; F201-L205 WeakPolarHBondContact O-CB 3.23Å; F201-L205 VanDerWaalsContact O-CG 3.22Å; F201-L205 WeakPolarHBondContact O-CG 3.44Å; F201-L205 PolarHBondContact O-N 3.31Å |
| 202 | R | 85.5 | Confident | 80.5 | Confident | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 174.2 | -73.9 | 168.9 | -162.3 | -89.7 | 0.4 | 111.9 | E198 R199 S206 | E198-R202 WeakPolarHBondContact O-CB 3.13Å; E198-R202 WeakPolarHBondContact O-CG 3.17Å; E198-R202 PolarHBondContact O-N 2.8Å; E198-R202 IonicContact OE2-CZ 2.93Å; E198-R202 IonicContact OE2-NE 2.7Å; E198-R202 IonicContact OE2-NH2 2.69Å; E198-R202 PolarHBondContact OE2-NH2 3.41Å; R199-R202 PolarHBondContact O-N 3.19Å; R202-S206 WeakPolarHBondContact O-CB 3.35Å; R202-S206 PolarHBondContact O-N 3.47Å; R202-S206 PolarHBondContact O-OG 3.43Å |
| 203 | R | 83.6 | Confident | 80.6 | Confident | 157 Ų | 157 | 104 Ų | 104 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.4 | -49.7 | 174 | 178.6 | -179.7 | 171.1 | 174.7 | -1.9 | 111.1 | R199 D200 F201 L205 S206 E207 | R199-R203 WeakPolarHBondContact O-CB 3.5Å; R199-R203 PolarHBondContact O-N 2.87Å; D200-R203 PolarHBondContact O-N 3.02Å; F201-R203 VanDerWaalsContact C-N 3.35Å; F201-R203 PolarHBondContact O-N 3.46Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.75Å; R203-S206 CarbonylContact O-C 3.57Å; R203-S206 WeakPolarHBondContact O-CA 3.08Å; R203-S206 VanDerWaalsContact O-CB 3.32Å; R203-S206 WeakPolarHBondContact O-CB 3.44Å; R203-S206 PolarHBondContact O-N 2.92Å; R203-E207 IonicContact CZ-OE1 3.05Å; R203-E207 IonicContact NE-OE1 2.67Å; R203-E207 PolarHBondContact NE-OE1 3.06Å; R203-E207 IonicContact NH2-OE1 2.63Å; R203-E207 PolarHBondContact NH2-OE1 3.35Å; R203-E207 VanDerWaalsContact NH2-OE1 3.1Å; R203-E207 WeakPolarHBondContact O-CG 3.26Å; R203-E207 PolarHBondContact O-N 3.31Å |
| 204 | L | 81.2 | Confident | 80.6 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | -179 | -167.6 | 148.2 | 0 | 0 | 0 | 111.1 | D200 F201 S206 E207 K208 | D200-L204 VanDerWaalsContact O-CB 3.23Å; D200-L204 WeakPolarHBondContact O-CB 3.25Å; D200-L204 PolarHBondContact O-N 2.68Å; F201-L204 PolarHBondContact O-N 3.43Å; L204-S206 VanDerWaalsContact C-N 3.35Å; L204-E207 PolarHBondContact O-N 3.4Å; L204-K208 HydrophobicContact CD2-CG 3.94Å; L204-K208 WeakPolarHBondContact O-CB 3.47Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.25Å |
| 205 | L | 77 | Confident | 80.4 | Confident | 111 Ų | 111 | 101.8 Ų | 101.8 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 168.7 | -76 | 168.9 | 0 | 0 | 0 | 111.7 | F201 R203 K208 E209 | F201-L205 VanDerWaalsContact O-CB 3.26Å; F201-L205 WeakPolarHBondContact O-CB 3.23Å; F201-L205 VanDerWaalsContact O-CG 3.22Å; F201-L205 WeakPolarHBondContact O-CG 3.44Å; F201-L205 PolarHBondContact O-N 3.31Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.75Å; L205-K208 CarbonylContact O-C 3.52Å; L205-K208 PolarHBondContact O-N 3.37Å; L205-E209 WeakPolarHBondContact O-CB 3.25Å; L205-E209 PolarHBondContact O-N 3.45Å |
| 206 | S | 81.5 | Confident | 80.1 | Confident | 67 Ų | 67 | 105.6 Ų | 105.6 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 112 | R202 R203 L204 E209 E210 | R202-S206 WeakPolarHBondContact O-CB 3.35Å; R202-S206 PolarHBondContact O-N 3.47Å; R202-S206 PolarHBondContact O-OG 3.43Å; R203-S206 CarbonylContact O-C 3.57Å; R203-S206 WeakPolarHBondContact O-CA 3.08Å; R203-S206 VanDerWaalsContact O-CB 3.32Å; R203-S206 WeakPolarHBondContact O-CB 3.44Å; R203-S206 PolarHBondContact O-N 2.92Å; L204-S206 VanDerWaalsContact C-N 3.35Å; S206-E209 WeakPolarHBondContact O-CB 3.25Å; S206-E209 PolarHBondContact O-N 3.06Å; S206-E210 PolarHBondContact O-N 2.82Å |
| 207 | E | 81.1 | Confident | 80.2 | Confident | 89 Ų | 89 | 106.3 Ų | 106.3 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.2 | -70.4 | 173.6 | -172.4 | 0 | 0 | 111.4 | R203 L204 E210 I211 | R203-E207 IonicContact CZ-OE1 3.05Å; R203-E207 IonicContact NE-OE1 2.67Å; R203-E207 PolarHBondContact NE-OE1 3.06Å; R203-E207 IonicContact NH2-OE1 2.63Å; R203-E207 PolarHBondContact NH2-OE1 3.35Å; R203-E207 VanDerWaalsContact NH2-OE1 3.1Å; R203-E207 WeakPolarHBondContact O-CG 3.26Å; R203-E207 PolarHBondContact O-N 3.31Å; L204-E207 PolarHBondContact O-N 3.4Å; E207-E210 PolarHBondContact O-N 3.38Å; E207-I211 WeakPolarHBondContact O-CB 3.19Å; E207-I211 WeakPolarHBondContact O-CD1 3.33Å; E207-I211 VanDerWaalsContact O-CG1 3.24Å; E207-I211 WeakPolarHBondContact O-CG1 3.48Å; E207-I211 PolarHBondContact O-N 3.44Å |
| 208 | K | 81.2 | Confident | 80 | Confident | 113 Ų | 113 | 107.5 Ų | 107.5 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 170.9 | -68 | -63.1 | 178.2 | -171.7 | 0 | 112 | L204 L205 I211 I212 | L204-K208 HydrophobicContact CD2-CG 3.94Å; L204-K208 WeakPolarHBondContact O-CB 3.47Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.25Å; L205-K208 CarbonylContact O-C 3.52Å; L205-K208 PolarHBondContact O-N 3.37Å; K208-I211 PolarHBondContact O-N 2.94Å; K208-I212 VanDerWaalsContact O-CB 3.32Å; K208-I212 WeakPolarHBondContact O-CB 3.48Å; K208-I212 WeakPolarHBondContact O-CD1 3.23Å; K208-I212 WeakPolarHBondContact O-CG1 3.4Å; K208-I212 PolarHBondContact O-N 2.96Å |
| 209 | E | 81.3 | Confident | 79.4 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 173.6 | -87 | -165.6 | -167.3 | 0 | 0 | 112.2 | L205 S206 I212 K213 | L205-E209 WeakPolarHBondContact O-CB 3.25Å; L205-E209 PolarHBondContact O-N 3.45Å; S206-E209 WeakPolarHBondContact O-CB 3.25Å; S206-E209 PolarHBondContact O-N 3.06Å; E209-I212 CarbonylContact O-C 3.57Å; E209-I212 PolarHBondContact O-N 3.34Å; E209-K213 WeakPolarHBondContact O-CB 3.33Å; E209-K213 VanDerWaalsContact O-CG 3.24Å; E209-K213 WeakPolarHBondContact O-CG 3.2Å; E209-K213 PolarHBondContact O-N 2.98Å; E209-K213 IonicContact OE2-NZ 2.89Å; E209-K213 PolarHBondContact OE2-NZ 3.21Å |
| 210 | E | 82.6 | Confident | 78.8 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 175.3 | -69.6 | -53.5 | 132.4 | 0 | 0 | 111.9 | S206 E207 I212 K213 S214 | S206-E210 PolarHBondContact O-N 2.82Å; E207-E210 PolarHBondContact O-N 3.38Å; E210-I212 VanDerWaalsContact C-N 3.35Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 VanDerWaalsContact OE1-CD 3.24Å; E210-K213 WeakPolarHBondContact OE1-CD 3.43Å; E210-K213 WeakPolarHBondContact OE1-CE 3.39Å; E210-K213 IonicContact OE1-NZ 3.41Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; E210-S214 VanDerWaalsContact O-CB 3.24Å; E210-S214 WeakPolarHBondContact O-CB 3.47Å; E210-S214 PolarHBondContact O-N 2.88Å |
| 211 | I | 81.7 | Confident | 78.5 | Confident | 86 Ų | 86 | 104 Ų | 104 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 169.6 | -70.4 | 164.8 | 0 | 0 | 0 | 110.8 | E207 K208 S214 L215 | E207-I211 WeakPolarHBondContact O-CB 3.19Å; E207-I211 WeakPolarHBondContact O-CD1 3.33Å; E207-I211 VanDerWaalsContact O-CG1 3.24Å; E207-I211 WeakPolarHBondContact O-CG1 3.48Å; E207-I211 PolarHBondContact O-N 3.44Å; K208-I211 PolarHBondContact O-N 2.94Å; I211-S214 PolarHBondContact O-N 2.56Å; I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.27Å; I211-L215 VanDerWaalsContact O-CB 3.29Å; I211-L215 WeakPolarHBondContact O-CB 3.4Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.46Å; I211-L215 PolarHBondContact O-N 2.78Å |
| 212 | I | 77.9 | Confident | 78.3 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 41% | 0.41 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 176.6 | -73.3 | 163.5 | 0 | 0 | 0 | 111.1 | K208 E209 E210 R216 | K208-I212 VanDerWaalsContact O-CB 3.32Å; K208-I212 WeakPolarHBondContact O-CB 3.48Å; K208-I212 WeakPolarHBondContact O-CD1 3.23Å; K208-I212 WeakPolarHBondContact O-CG1 3.4Å; K208-I212 PolarHBondContact O-N 2.96Å; E209-I212 CarbonylContact O-C 3.57Å; E209-I212 PolarHBondContact O-N 3.34Å; E210-I212 VanDerWaalsContact C-N 3.35Å; I212-R216 HydrophobicContact CG2-CG 4.33Å; I212-R216 WeakPolarHBondContact O-CB 3.21Å; I212-R216 WeakPolarHBondContact O-CG 3.13Å; I212-R216 PolarHBondContact O-N 2.83Å |
| 213 | K | 84.4 | Confident | 77.4 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 39% | 0.391 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 173.2 | -72.3 | 161.6 | -159.7 | 163.7 | 0 | 110.5 | E209 E210 R216 L217 | E209-K213 WeakPolarHBondContact O-CB 3.33Å; E209-K213 VanDerWaalsContact O-CG 3.24Å; E209-K213 WeakPolarHBondContact O-CG 3.2Å; E209-K213 PolarHBondContact O-N 2.98Å; E209-K213 IonicContact OE2-NZ 2.89Å; E209-K213 PolarHBondContact OE2-NZ 3.21Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 VanDerWaalsContact OE1-CD 3.24Å; E210-K213 WeakPolarHBondContact OE1-CD 3.43Å; E210-K213 WeakPolarHBondContact OE1-CE 3.39Å; E210-K213 IonicContact OE1-NZ 3.41Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; K213-R216 PolarHBondContact O-N 3.31Å; K213-L217 WeakPolarHBondContact O-CB 3.35Å; K213-L217 PolarHBondContact O-N 2.7Å |
| 214 | S | 79.4 | Confident | 76.7 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 112 | E210 I211 R216 L217 Q218 | E210-S214 VanDerWaalsContact O-CB 3.24Å; E210-S214 WeakPolarHBondContact O-CB 3.47Å; E210-S214 PolarHBondContact O-N 2.88Å; I211-S214 PolarHBondContact O-N 2.56Å; S214-R216 VanDerWaalsContact C-N 3.34Å; S214-R216 PolarHBondContact O-N 2.7Å; S214-L217 PolarHBondContact O-N 2.69Å; S214-Q218 WeakPolarHBondContact O-CB 3.29Å; S214-Q218 PolarHBondContact O-N 3.14Å |
| 215 | L | 75.9 | Confident | 76.2 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 48% | 0.482 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -30.7 | 176.6 | -71.8 | 173.5 | 0 | 0 | 0 | 112.8 | I211 C219 | I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.27Å; I211-L215 VanDerWaalsContact O-CB 3.29Å; I211-L215 WeakPolarHBondContact O-CB 3.4Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.46Å; I211-L215 PolarHBondContact O-N 2.78Å; L215-C219 VanDerWaalsContact O-CB 3.23Å; L215-C219 WeakPolarHBondContact O-CB 3.32Å; L215-C219 PolarHBondContact O-N 2.69Å; L215-C219 PolarHBondContact O-SG 3.24Å |
| 216 | R | 76.1 | Confident | 75.8 | Confident | 169 Ų | 169 | 93.7 Ų | 93.7 | 64% | 0.638 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.2 | -51.4 | 169.4 | -77.8 | 174.4 | -175.2 | -166.7 | 3.5 | 110.4 | I212 K213 S214 Q218 C219 D220 | I212-R216 HydrophobicContact CG2-CG 4.33Å; I212-R216 WeakPolarHBondContact O-CB 3.21Å; I212-R216 WeakPolarHBondContact O-CG 3.13Å; I212-R216 PolarHBondContact O-N 2.83Å; K213-R216 PolarHBondContact O-N 3.31Å; S214-R216 VanDerWaalsContact C-N 3.34Å; S214-R216 PolarHBondContact O-N 2.7Å; R216-Q218 PolarHBondContact O-N 2.75Å; R216-C219 CarbonylContact O-C 3.55Å; R216-C219 WeakPolarHBondContact O-CB 3.45Å; R216-C219 PolarHBondContact O-N 3.44Å; R216-C219 VanDerWaalsContact O-N 3.13Å; R216-D220 WeakPolarHBondContact O-CB 3.48Å; R216-D220 PolarHBondContact O-N 2.69Å |
| 217 | L | 80.4 | Confident | 74.6 | Confident | 124 Ų | 124 | 95.6 Ų | 95.6 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -55 | -40.7 | 174.4 | -116.9 | 111.6 | 0 | 0 | 0 | 112.1 | K213 S214 D220 Q221 | K213-L217 WeakPolarHBondContact O-CB 3.35Å; K213-L217 PolarHBondContact O-N 2.7Å; S214-L217 PolarHBondContact O-N 2.69Å; L217-D220 PolarHBondContact O-N 2.66Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.11Å; L217-Q221 PolarHBondContact O-N 3.42Å |
| 218 | Q | 73.1 | Confident | 73.8 | Confident | 121 Ų | 121 | 97.4 Ų | 97.4 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72.7 | -39.6 | 178.9 | -160.3 | 172.2 | 32.4 | 0 | 0 | 111.7 | S214 R216 D220 Q222 | S214-Q218 WeakPolarHBondContact O-CB 3.29Å; S214-Q218 PolarHBondContact O-N 3.14Å; R216-Q218 PolarHBondContact O-N 2.75Å; Q218-D220 VanDerWaalsContact C-N 3.33Å; Q218-Q222 WeakPolarHBondContact O-CB 3.08Å; Q218-Q222 PolarHBondContact O-N 2.81Å |
| 219 | C | 66.7 | Low | 72.9 | Confident | 44 Ų | 44 | 95 Ų | 95 | 30% | 0.297 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 168.7 | -78.2 | 0 | 0 | 0 | 0 | 111.9 | L215 R216 Q222 N223 | L215-C219 VanDerWaalsContact O-CB 3.23Å; L215-C219 WeakPolarHBondContact O-CB 3.32Å; L215-C219 PolarHBondContact O-N 2.69Å; L215-C219 PolarHBondContact O-SG 3.24Å; R216-C219 CarbonylContact O-C 3.55Å; R216-C219 WeakPolarHBondContact O-CB 3.45Å; R216-C219 PolarHBondContact O-N 3.44Å; R216-C219 VanDerWaalsContact O-N 3.13Å; C219-Q222 PolarHBondContact O-N 2.77Å; C219-N223 WeakPolarHBondContact O-CA 3.4Å; C219-N223 WeakPolarHBondContact O-CB 3.26Å; C219-N223 PolarHBondContact O-N 3.46Å; C219-N223 PolarHBondContact O-ND2 3.24Å |
| 220 | D | 72.3 | Confident | 71.4 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.2 | -41.3 | -177.7 | -65.4 | -24.1 | 0 | 0 | 0 | 110.1 | R216 L217 Q218 N223 I224 | R216-D220 WeakPolarHBondContact O-CB 3.48Å; R216-D220 PolarHBondContact O-N 2.69Å; L217-D220 PolarHBondContact O-N 2.66Å; Q218-D220 VanDerWaalsContact C-N 3.33Å; D220-N223 PolarHBondContact O-N 2.75Å; D220-I224 VanDerWaalsContact O-CB 3.25Å; D220-I224 WeakPolarHBondContact O-CB 3.21Å; D220-I224 WeakPolarHBondContact O-CD1 3.4Å; D220-I224 WeakPolarHBondContact O-CG1 3.28Å; D220-I224 PolarHBondContact O-N 2.72Å |
| 221 | Q | 71 | Confident | 69.9 | Low | 82 Ų | 82 | 95 Ų | 95 | 38% | 0.383 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 171 | -162.2 | 78.4 | 5.4 | 0 | 0 | 111.4 | L217 I224 N225 | L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.11Å; L217-Q221 PolarHBondContact O-N 3.42Å; Q221-I224 PolarHBondContact O-N 3.48Å; Q221-N225 WeakPolarHBondContact O-CB 3.3Å; Q221-N225 PolarHBondContact O-N 3.22Å |
| 222 | Q | 69.8 | Low | 68.7 | Low | 137 Ų | 137 | 94.1 Ų | 94.1 | 64% | 0.64 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -72.5 | -35.2 | 179.2 | -166.6 | 173.6 | 24.3 | 0 | 0 | 112.1 | Q218 C219 N225 K226 | Q218-Q222 WeakPolarHBondContact O-CB 3.08Å; Q218-Q222 PolarHBondContact O-N 2.81Å; C219-Q222 PolarHBondContact O-N 2.77Å; Q222-N225 PolarHBondContact O-N 2.8Å; Q222-K226 VanDerWaalsContact O-CB 3.23Å; Q222-K226 WeakPolarHBondContact O-CB 2.97Å; Q222-K226 PolarHBondContact O-N 3.48Å |
| 223 | N | 67.6 | Low | 67.5 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 35% | 0.348 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 171.4 | -80.3 | -23 | 0 | 0 | 0 | 111.3 | C219 D220 N225 K226 L227 | C219-N223 WeakPolarHBondContact O-CA 3.4Å; C219-N223 WeakPolarHBondContact O-CB 3.26Å; C219-N223 PolarHBondContact O-N 3.46Å; C219-N223 PolarHBondContact O-ND2 3.24Å; D220-N223 PolarHBondContact O-N 2.75Å; N223-N225 VanDerWaalsContact C-N 3.31Å; N223-N225 PolarHBondContact O-N 3.3Å; N223-K226 PolarHBondContact O-N 2.78Å; N223-L227 WeakPolarHBondContact O-CB 2.94Å; N223-L227 WeakPolarHBondContact O-CG 3.32Å; N223-L227 PolarHBondContact O-N 2.83Å |
| 224 | I | 69.6 | Low | 65.9 | Low | 79 Ų | 79 | 94.2 Ų | 94.2 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 173.1 | -73.8 | 164.1 | 0 | 0 | 0 | 110.3 | D220 Q221 R228 | D220-I224 VanDerWaalsContact O-CB 3.25Å; D220-I224 WeakPolarHBondContact O-CB 3.21Å; D220-I224 WeakPolarHBondContact O-CD1 3.4Å; D220-I224 WeakPolarHBondContact O-CG1 3.28Å; D220-I224 PolarHBondContact O-N 2.72Å; Q221-I224 PolarHBondContact O-N 3.48Å; I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.12Å; I224-R228 VanDerWaalsContact O-CG 3.26Å; I224-R228 WeakPolarHBondContact O-CG 3.41Å; I224-R228 PolarHBondContact O-N 2.74Å |
| 225 | N | 70.2 | Confident | 64.6 | Low | 50 Ų | 50 | 99 Ų | 99 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69 | -43.4 | 174.6 | -77.3 | -13 | 0 | 0 | 0 | 112.2 | Q221 Q222 N223 R228 S229 | Q221-N225 WeakPolarHBondContact O-CB 3.3Å; Q221-N225 PolarHBondContact O-N 3.22Å; Q222-N225 PolarHBondContact O-N 2.8Å; N223-N225 VanDerWaalsContact C-N 3.31Å; N223-N225 PolarHBondContact O-N 3.3Å; N225-R228 WeakPolarHBondContact O-CB 3.1Å; N225-R228 PolarHBondContact O-N 2.8Å; N225-R228 VanDerWaalsContact O-N 3.15Å; N225-S229 PolarHBondContact O-N 2.73Å; N225-S229 PolarHBondContact O-OG 3.31Å |
| 226 | K | 67.7 | Low | 63.1 | Low | 97 Ų | 97 | 102.9 Ų | 102.9 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 176.3 | -177.6 | 173.6 | 173.3 | 180 | 0 | 111.6 | Q222 N223 R228 S229 E230 | Q222-K226 VanDerWaalsContact O-CB 3.23Å; Q222-K226 WeakPolarHBondContact O-CB 2.97Å; Q222-K226 PolarHBondContact O-N 3.48Å; N223-K226 PolarHBondContact O-N 2.78Å; K226-R228 VanDerWaalsContact C-N 3.27Å; K226-R228 PolarHBondContact O-N 3.45Å; K226-S229 WeakPolarHBondContact CA-OG 3.26Å; K226-S229 PolarHBondContact O-N 3.23Å; K226-S229 PolarHBondContact O-OG 2.84Å; K226-E230 WeakPolarHBondContact CE-OE1 3.03Å; K226-E230 HydrophobicContact CG-CG 4.44Å; K226-E230 WeakPolarHBondContact CG-OE1 3.43Å; K226-E230 IonicContact NZ-OE1 2.79Å; K226-E230 WeakPolarHBondContact O-CB 3.41Å; K226-E230 WeakPolarHBondContact O-CG 3.1Å; K226-E230 PolarHBondContact O-N 3.31Å |
| 227 | L | 56.3 | Low | 62.2 | Low | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -30.1 | 171.7 | -71.4 | 169.7 | 0 | 0 | 0 | 111.9 | N223 L231 | N223-L227 WeakPolarHBondContact O-CB 2.94Å; N223-L227 WeakPolarHBondContact O-CG 3.32Å; N223-L227 PolarHBondContact O-N 2.83Å; L227-L231 WeakPolarHBondContact O-CA 3.4Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 2.96Å |
| 228 | R | 64.6 | Low | 60.7 | Low | 128 Ų | 128 | 98 Ų | 98 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 171.4 | -84.9 | -179.2 | -179.3 | -168.7 | 9.5 | 112.7 | I224 N225 K226 A232 Y663 | I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.12Å; I224-R228 VanDerWaalsContact O-CG 3.26Å; I224-R228 WeakPolarHBondContact O-CG 3.41Å; I224-R228 PolarHBondContact O-N 2.74Å; N225-R228 WeakPolarHBondContact O-CB 3.1Å; N225-R228 PolarHBondContact O-N 2.8Å; N225-R228 VanDerWaalsContact O-N 3.15Å; K226-R228 VanDerWaalsContact C-N 3.27Å; K226-R228 PolarHBondContact O-N 3.45Å; R228-A232 WeakPolarHBondContact O-CB 3.41Å; R228-A232 PolarHBondContact O-N 2.76Å; R228-A232 VanDerWaalsContact O-N 3.1Å; R228-Y663 PolarHBondContact NH2-OH 2.74Å |
| 229 | S | 62.9 | Low | 59.9 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -47.2 | 172.1 | 41.5 | 0 | 0 | 0 | 0 | 111.5 | N225 K226 L231 A232 D233 | N225-S229 PolarHBondContact O-N 2.73Å; N225-S229 PolarHBondContact O-OG 3.31Å; K226-S229 WeakPolarHBondContact CA-OG 3.26Å; K226-S229 PolarHBondContact O-N 3.23Å; K226-S229 PolarHBondContact O-OG 2.84Å; S229-L231 PolarHBondContact O-N 3.31Å; S229-A232 WeakPolarHBondContact O-CB 3.38Å; S229-A232 PolarHBondContact O-N 2.85Å; S229-A232 VanDerWaalsContact O-N 3.09Å; S229-D233 PolarHBondContact O-N 3.23Å; S229-D233 VanDerWaalsContact O-N 3.09Å |
| 230 | E | 49 | Very low | 59.3 | Low | 94 Ų | 94 | 96.4 Ų | 96.4 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | -180 | -70.9 | 172.4 | 176.8 | 0 | 0 | 111.3 | K226 A232 D233 S234 | K226-E230 WeakPolarHBondContact CE-OE1 3.03Å; K226-E230 HydrophobicContact CG-CG 4.44Å; K226-E230 WeakPolarHBondContact CG-OE1 3.43Å; K226-E230 IonicContact NZ-OE1 2.79Å; K226-E230 WeakPolarHBondContact O-CB 3.41Å; K226-E230 WeakPolarHBondContact O-CG 3.1Å; K226-E230 PolarHBondContact O-N 3.31Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.49Å; E230-D233 PolarHBondContact O-N 3.3Å; E230-S234 WeakPolarHBondContact O-CA 3.19Å; E230-S234 WeakPolarHBondContact O-CB 3.36Å; E230-S234 PolarHBondContact O-N 3.46Å |
| 231 | L | 51.1 | Low | 58.3 | Low | 127 Ų | 127 | 96.5 Ų | 96.5 | 67% | 0.665 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.4 | -18.9 | 174.3 | -171.1 | 63.2 | 0 | 0 | 0 | 113.5 | L227 S229 | L227-L231 WeakPolarHBondContact O-CA 3.4Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 2.96Å; S229-L231 PolarHBondContact O-N 3.31Å |
| 232 | A | 57 | Low | 57.7 | Low | 68 Ų | 68 | 98.9 Ų | 98.9 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.8 | -45.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | R228 S229 E230 | R228-A232 WeakPolarHBondContact O-CB 3.41Å; R228-A232 PolarHBondContact O-N 2.76Å; R228-A232 VanDerWaalsContact O-N 3.1Å; S229-A232 WeakPolarHBondContact O-CB 3.38Å; S229-A232 PolarHBondContact O-N 2.85Å; S229-A232 VanDerWaalsContact O-N 3.09Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.49Å |
| 233 | D | 51.6 | Low | 57.2 | Low | 131 Ų | 131 | 99.5 Ų | 99.5 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -86.2 | -30.7 | -176.3 | -67.1 | -29.7 | 0 | 0 | 0 | 113.7 | S229 E230 K235 L236 | S229-D233 PolarHBondContact O-N 3.23Å; S229-D233 VanDerWaalsContact O-N 3.09Å; E230-D233 PolarHBondContact O-N 3.3Å; D233-K235 PolarHBondContact O-N 2.81Å; D233-K235 VanDerWaalsContact O-N 3.08Å; D233-L236 PolarHBondContact O-N 2.84Å |
| 234 | S | 52.1 | Low | 56.5 | Low | 41 Ų | 41 | 102.9 Ų | 102.9 | 29% | 0.287 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -65.5 | -14.2 | -174.8 | -179.3 | 0 | 0 | 0 | 0 | 114.4 | E230 L236 S237 Q238 | E230-S234 WeakPolarHBondContact O-CA 3.19Å; E230-S234 WeakPolarHBondContact O-CB 3.36Å; E230-S234 PolarHBondContact O-N 3.46Å; S234-L236 PolarHBondContact O-N 3.24Å; S234-S237 PolarHBondContact O-N 2.86Å; S234-Q238 PolarHBondContact O-N 3.43Å; S234-Q238 VanDerWaalsContact O-N 3.08Å |
| 235 | K | 51.2 | Low | 55.6 | Low | 172 Ų | 172 | 102.8 Ų | 102.8 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -60.4 | -11.2 | 173.7 | -76.7 | -170.4 | 175.8 | -179.7 | 0 | 114.6 | D233 | D233-K235 PolarHBondContact O-N 2.81Å; D233-K235 VanDerWaalsContact O-N 3.08Å |
| 236 | L | 45.2 | Very low | 55.3 | Low | 174 Ų | 174 | 107.1 Ų | 107.1 | 91% | 0.911 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -106.7 | -7.4 | 170.3 | -148.2 | 69.8 | 0 | 0 | 0 | 114.1 | D233 S234 | D233-L236 PolarHBondContact O-N 2.84Å; S234-L236 PolarHBondContact O-N 3.24Å |
| 237 | S | 57.1 | Low | 54.4 | Low | 57 Ų | 57 | 106.6 Ų | 106.6 | 40% | 0.399 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | -15.7 | -175.9 | -160.8 | 0 | 0 | 0 | 0 | 114 | S234 A239 A240 L241 | S234-S237 PolarHBondContact O-N 2.86Å; S237-A239 PolarHBondContact O-N 2.86Å; S237-A240 PolarHBondContact O-N 2.82Å; S237-L241 PolarHBondContact O-N 2.68Å |
| 238 | Q | 48.6 | Very low | 54.1 | Low | 135 Ų | 135 | 105.9 Ų | 105.9 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -52.1 | -30.5 | -173.6 | -168.6 | 170.6 | 14.1 | 0 | 0 | 114.8 | S234 Q242 | S234-Q238 PolarHBondContact O-N 3.43Å; S234-Q238 VanDerWaalsContact O-N 3.08Å; Q238-Q242 WeakPolarHBondContact O-CB 3.38Å; Q238-Q242 PolarHBondContact O-N 2.81Å |
| 239 | A | 56.9 | Low | 53.3 | Low | 75 Ų | 75 | 105.8 Ų | 105.8 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.6 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S237 Q242 E243 | S237-A239 PolarHBondContact O-N 2.86Å; A239-Q242 WeakPolarHBondContact O-CB 3.26Å; A239-Q242 PolarHBondContact O-N 3.2Å; A239-E243 PolarHBondContact O-N 3.47Å |
| 240 | A | 52.5 | Low | 52.8 | Low | 56 Ų | 56 | 106.2 Ų | 106.2 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.6 | -37.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S237 Q242 E243 Q244 | S237-A240 PolarHBondContact O-N 2.82Å; A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.38Å; A240-E243 PolarHBondContact O-N 2.98Å; A240-Q244 PolarHBondContact O-N 2.88Å |
| 241 | L | 53.3 | Low | 52.4 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.7 | -35 | 170.6 | -81.6 | 165.8 | 0 | 0 | 0 | 112 | S237 E243 Q244 V245 | S237-L241 PolarHBondContact O-N 2.68Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 2.96Å; L241-Q244 PolarHBondContact O-N 3.45Å; L241-V245 VanDerWaalsContact O-CB 3.26Å; L241-V245 WeakPolarHBondContact O-CB 3.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.19Å; L241-V245 PolarHBondContact O-N 2.86Å |
| 242 | Q | 58.1 | Low | 51.9 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -34.8 | -179 | -164.5 | 164.6 | 6.9 | 0 | 0 | 112.4 | Q238 A239 A240 Q246 | Q238-Q242 WeakPolarHBondContact O-CB 3.38Å; Q238-Q242 PolarHBondContact O-N 2.81Å; A239-Q242 WeakPolarHBondContact O-CB 3.26Å; A239-Q242 PolarHBondContact O-N 3.2Å; A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.38Å; Q242-Q246 WeakPolarHBondContact O-CB 3.42Å; Q242-Q246 PolarHBondContact O-N 2.57Å |
| 243 | E | 59.1 | Low | 51.1 | Low | 149 Ų | 149 | 116.1 Ų | 116.1 | 70% | 0.696 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.1 | -48 | 174.3 | -120.1 | 171 | -172.5 | 0 | 0 | 112.2 | A239 A240 L241 V245 Q246 C247 | A239-E243 PolarHBondContact O-N 3.47Å; A240-E243 PolarHBondContact O-N 2.98Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 2.96Å; E243-V245 PolarHBondContact O-N 2.85Å; E243-Q246 PolarHBondContact O-N 3.34Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; E243-C247 PolarHBondContact O-N 3.39Å; E243-C247 VanDerWaalsContact O-N 3.14Å |
| 244 | Q | 51.7 | Low | 50.5 | Low | 137 Ų | 137 | 113.9 Ų | 113.9 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 179.3 | -69.2 | -173.2 | -7 | 0 | 0 | 112.7 | A240 L241 Q246 C247 L248 | A240-Q244 PolarHBondContact O-N 2.88Å; L241-Q244 PolarHBondContact O-N 3.45Å; Q244-Q246 PolarHBondContact O-N 2.96Å; Q244-C247 PolarHBondContact O-N 3.47Å; Q244-L248 PolarHBondContact O-N 3.48Å |
| 245 | V | 52.2 | Low | 49.3 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 47% | 0.467 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66 | -27.1 | 174 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | L241 E243 K249 | L241-V245 VanDerWaalsContact O-CB 3.26Å; L241-V245 WeakPolarHBondContact O-CB 3.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.19Å; L241-V245 PolarHBondContact O-N 2.86Å; E243-V245 PolarHBondContact O-N 2.85Å; V245-K249 WeakPolarHBondContact O-CB 3.26Å; V245-K249 PolarHBondContact O-N 3.35Å |
| 246 | Q | 62.6 | Low | 48.2 | Very low | 141 Ų | 141 | 116 Ų | 116 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.8 | -37 | 175.5 | -165.1 | 161.1 | 0.5 | 0 | 0 | 112.2 | Q242 E243 Q244 A250 | Q242-Q246 WeakPolarHBondContact O-CB 3.42Å; Q242-Q246 PolarHBondContact O-N 2.57Å; E243-Q246 PolarHBondContact O-N 3.34Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; Q244-Q246 PolarHBondContact O-N 2.96Å; Q246-A250 PolarHBondContact O-N 3.36Å |
| 247 | C | 49 | Very low | 47.5 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -44.3 | 169.1 | -70 | 0 | 0 | 0 | 0 | 112.5 | E243 Q244 K249 A250 Q251 | E243-C247 PolarHBondContact O-N 3.39Å; E243-C247 VanDerWaalsContact O-N 3.14Å; Q244-C247 PolarHBondContact O-N 3.47Å; C247-K249 VanDerWaalsContact C-N 3.32Å; C247-K249 PolarHBondContact O-N 3.16Å; C247-A250 WeakPolarHBondContact O-CB 3.1Å; C247-A250 PolarHBondContact O-N 2.59Å; C247-A250 VanDerWaalsContact O-N 3.14Å; C247-Q251 PolarHBondContact O-N 3.02Å; C247-Q251 VanDerWaalsContact O-N 3.15Å |
| 248 | L | 50.4 | Low | 46.2 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.2 | -34.5 | 177 | -73.8 | 167.8 | 0 | 0 | 0 | 112.2 | Q244 Q251 F252 | Q244-L248 PolarHBondContact O-N 3.48Å; L248-Q251 PolarHBondContact O-N 2.78Å; L248-F252 PolarHBondContact O-N 3.37Å |
| 249 | K | 48.9 | Very low | 45.2 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.2 | -40.1 | 170.4 | -96.5 | -170.3 | 169.5 | -174.2 | 0 | 112.9 | V245 C247 Q251 F252 Y253 | V245-K249 WeakPolarHBondContact O-CB 3.26Å; V245-K249 PolarHBondContact O-N 3.35Å; C247-K249 VanDerWaalsContact C-N 3.32Å; C247-K249 PolarHBondContact O-N 3.16Å; K249-Q251 VanDerWaalsContact C-N 3.28Å; K249-Q251 PolarHBondContact O-N 2.98Å; K249-F252 PolarHBondContact O-N 3.23Å; K249-Y253 VanDerWaalsContact O-CD2 3.31Å; K249-Y253 WeakPolarHBondContact O-CD2 3.22Å; K249-Y253 PolarHBondContact O-N 3.49Å |
| 250 | A | 50.8 | Low | 43.9 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.1 | -36.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q246 C247 | Q246-A250 PolarHBondContact O-N 3.36Å; C247-A250 WeakPolarHBondContact O-CB 3.1Å; C247-A250 PolarHBondContact O-N 2.59Å; C247-A250 VanDerWaalsContact O-N 3.14Å |
| 251 | Q | 41.4 | Very low | 42.7 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.5 | -39.8 | 176.8 | -70.1 | 178 | -27.8 | 0 | 0 | 112.8 | C247 L248 K249 Y253 S254 | C247-Q251 PolarHBondContact O-N 3.02Å; C247-Q251 VanDerWaalsContact O-N 3.15Å; L248-Q251 PolarHBondContact O-N 2.78Å; K249-Q251 VanDerWaalsContact C-N 3.28Å; K249-Q251 PolarHBondContact O-N 2.98Å; Q251-Y253 PolarHBondContact O-N 2.86Å; Q251-S254 PolarHBondContact O-OG 3.06Å |
| 252 | F | 40.8 | Very low | 41.5 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.6 | -24.6 | -179.2 | -99.1 | -89.1 | 0 | 0 | 0 | 115.1 | L248 K249 S254 | L248-F252 PolarHBondContact O-N 3.37Å; K249-F252 PolarHBondContact O-N 3.23Å; F252-S254 PolarHBondContact O-N 3.37Å |
| 253 | Y | 40.5 | Very low | 40 | Very low | 187 Ų | 187 | 128 Ų | 128 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 13.8 | 177.8 | -85.3 | -65.4 | 0 | 0 | 0 | 115 | K249 Q251 | K249-Y253 VanDerWaalsContact O-CD2 3.31Å; K249-Y253 WeakPolarHBondContact O-CD2 3.22Å; K249-Y253 PolarHBondContact O-N 3.49Å; Q251-Y253 PolarHBondContact O-N 2.86Å |
| 254 | S | 37.6 | Very low | 38.5 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 59% | 0.587 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -26 | -176 | -59.7 | 0 | 0 | 0 | 0 | 115.3 | Q251 F252 | Q251-S254 PolarHBondContact O-OG 3.06Å; F252-S254 PolarHBondContact O-N 3.37Å |
| 255 | N | 27.3 | Very low | 37.4 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -124.6 | 70.8 | -167.5 | -73.2 | -0.8 | 0 | 0 | 0 | 112.7 | ||
| 256 | S | 28.7 | Very low | 36.3 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -157.2 | 77 | 174.6 | 64.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 257 | S | 29.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -164.5 | 139.8 | 161.6 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 258 | T | 31 | Very low | 34 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 83% | 0.828 | 73% | 0.729 | S | S | * | * | trans | 63.9 | 119.1 | 160 | 49.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 259 | E | 27.3 | Very low | 33.3 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -84.3 | 176.5 | 172.4 | -61.6 | 127.3 | 126 | 0 | 0 | 113.9 | ||||
| 260 | E | 28.2 | Very low | 32.7 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 79.6 | 131.6 | 140.1 | -95.1 | -175.7 | -179.8 | 0 | 0 | 124.6 | ||||
| 261 | T | 28.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | 71.1 | 144.8 | 156.2 | 68.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 262 | G | 28.4 | Very low | 31.3 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 135 | 95.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 263 | L | 27.1 | Very low | 30.9 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -103.7 | 144.8 | 175.6 | -94.2 | 165.8 | 0 | 0 | 0 | 112.6 | ||||
| 264 | L | 27.3 | Very low | 30.6 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 59.8 | 115 | 150.5 | -63 | 165.4 | 0 | 0 | 0 | 120 | ||||
| 265 | Q | 28 | Very low | 30.7 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | 174.2 | 145.2 | 100.3 | -95.1 | 177.7 | 18.2 | 0 | 0 | 114.9 | |||||
| 266 | N | 28.9 | Very low | 31.3 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -165.8 | 110.2 | 145.9 | -100.9 | -44.8 | 0 | 0 | 0 | 105.5 | ||||
| 267 | E | 29.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | 59.6 | 132.1 | 76.7 | -72.5 | -103.7 | 170.8 | 0 | 0 | 112.3 | |||||
| 268 | S | 35 | Very low | 32.2 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | cis | -164.8 | 138.4 | 13.1 | -150.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 269 | S | 35.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 150.2 | 144.9 | 148.5 | -75.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 270 | N | 35.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | cis | -168.4 | 111.9 | -36 | -123.9 | -56.7 | 0 | 0 | 0 | 110.1 | ||||
| 271 | K | 31.8 | Very low | 34.3 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | 49.8 | 93.6 | 148.6 | -61.6 | 169.4 | -175.9 | 164.4 | 0 | 121.2 | ||||
| 272 | L | 30.7 | Very low | 35.4 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | -179 | 154.4 | 126 | -121 | 67 | 0 | 0 | 0 | 108.5 | |||||
| 273 | L | 33.2 | Very low | 36.3 | Very low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | cis | -146 | 118.8 | 6.3 | 173.4 | 66 | 0 | 0 | 0 | 110.5 | R275 | L273-R275 PolarHBondContact O-N 3Š| ||
| 274 | V | 32.7 | Very low | 37 | Very low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | trans | -61 | 120.2 | 178.8 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 275 | R | 40.4 | Very low | 38.2 | Very low | 225 Ų | 225 | 131.6 Ų | 131.6 | 85% | 0.849 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -171.2 | -19.6 | 146.8 | -117.3 | 170.5 | -178.4 | 148.1 | 3.5 | 117.9 | L273 | L273-R275 PolarHBondContact O-N 3Š|
| 276 | T | 41.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -94.4 | -19.5 | -176 | 37.8 | 0 | 0 | 0 | 0 | 114.4 | S278 | T276-S278 PolarHBondContact O-N 2.81Š|
| 277 | E | 34.7 | Very low | 40.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 50% | 0.5 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -19.2 | -176.8 | -66.4 | 150 | 129.7 | 0 | 0 | 113.4 | N279 Y280 I281 | E277-N279 PolarHBondContact O-N 2.86Å; E277-N279 VanDerWaalsContact O-N 3.07Å; E277-Y280 PolarHBondContact O-N 2.93Å; E277-I281 HydrophobicContact CB-CD1 3.93Å; E277-I281 HydrophobicContact CB-CG1 4.36Å; E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 3.23Å |
| 278 | S | 40.8 | Very low | 41.9 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.8 | -23.7 | -176.4 | -165.4 | 0 | 0 | 0 | 0 | 114.5 | T276 H282 | T276-S278 PolarHBondContact O-N 2.81Å; S278-H282 WeakPolarHBondContact O-CB 3.28Å; S278-H282 PolarHBondContact O-N 2.78Å |
| 279 | N | 44.4 | Very low | 43.3 | Very low | 134 Ų | 134 | 124 Ų | 124 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -95.1 | -14.6 | 176.4 | -70.5 | 13.8 | 0 | 0 | 0 | 113 | E277 | E277-N279 PolarHBondContact O-N 2.86Å; E277-N279 VanDerWaalsContact O-N 3.07Å |
| 280 | Y | 41.6 | Very low | 44.5 | Very low | 184 Ų | 184 | 122 Ų | 122 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -88.3 | -45.8 | 171.4 | -96.1 | -88.8 | 0 | 0 | 0 | 110.6 | E277 H282 R283 S284 | E277-Y280 PolarHBondContact O-N 2.93Å; Y280-H282 PolarHBondContact O-N 2.74Å; Y280-R283 CarbonylContact O-C 3.5Å; Y280-R283 PolarHBondContact O-N 2.89Å; Y280-R283 VanDerWaalsContact O-N 3.14Å; Y280-S284 WeakPolarHBondContact O-CB 3.36Å; Y280-S284 PolarHBondContact O-N 3.48Å; Y280-S284 PolarHBondContact O-OG 2.91Å |
| 281 | I | 45.2 | Very low | 45.1 | Very low | 92 Ų | 92 | 118.2 Ų | 118.2 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58 | -48.7 | 174.7 | -66 | 169.4 | 0 | 0 | 0 | 110.1 | E277 R283 S284 D285 | E277-I281 HydrophobicContact CB-CD1 3.93Å; E277-I281 HydrophobicContact CB-CG1 4.36Å; E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 3.23Å; I281-R283 PolarHBondContact O-N 3.44Å; I281-S284 CarbonylContact O-C 3.17Å; I281-S284 WeakPolarHBondContact O-CA 3.25Å; I281-S284 WeakPolarHBondContact O-CB 3.37Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-S284 VanDerWaalsContact O-N 3.07Å; I281-D285 WeakPolarHBondContact CG2-OD2 3.18Å; I281-D285 WeakPolarHBondContact O-CB 3.49Å; I281-D285 VanDerWaalsContact O-CG 3.25Å; I281-D285 PolarHBondContact O-N 3.02Å |
| 282 | H | 51 | Low | 46.4 | Very low | 130 Ų | 130 | 113.2 Ų | 113.2 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.2 | -27.1 | -179.9 | -154.3 | -34.7 | 0 | 0 | 0 | 113.2 | S278 Y280 E286 | S278-H282 WeakPolarHBondContact O-CB 3.28Å; S278-H282 PolarHBondContact O-N 2.78Å; Y280-H282 PolarHBondContact O-N 2.74Å; H282-E286 VanDerWaalsContact O-CB 3.3Å; H282-E286 WeakPolarHBondContact O-CB 3.47Å; H282-E286 PolarHBondContact O-N 2.92Å |
| 283 | R | 47.7 | Very low | 47.8 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.3 | -33.5 | 174.3 | -157.5 | 176.2 | -169.2 | -159.8 | -0.7 | 111.8 | Y280 I281 E286 I287 | Y280-R283 CarbonylContact O-C 3.5Å; Y280-R283 PolarHBondContact O-N 2.89Å; Y280-R283 VanDerWaalsContact O-N 3.14Å; I281-R283 PolarHBondContact O-N 3.44Å; R283-E286 PolarHBondContact O-N 3.32Å; R283-I287 WeakPolarHBondContact O-CB 3.2Å; R283-I287 WeakPolarHBondContact O-CD1 3.46Å; R283-I287 WeakPolarHBondContact O-CG1 3.07Å; R283-I287 PolarHBondContact O-N 3.15Å |
| 284 | S | 42.3 | Very low | 48.3 | Very low | 57 Ų | 57 | 105.1 Ų | 105.1 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 168.4 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | Y280 I281 I287 I288 | Y280-S284 WeakPolarHBondContact O-CB 3.36Å; Y280-S284 PolarHBondContact O-N 3.48Å; Y280-S284 PolarHBondContact O-OG 2.91Å; I281-S284 CarbonylContact O-C 3.17Å; I281-S284 WeakPolarHBondContact O-CA 3.25Å; I281-S284 WeakPolarHBondContact O-CB 3.37Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-S284 VanDerWaalsContact O-N 3.07Å; S284-I287 CarbonylContact O-C 3.52Å; S284-I287 PolarHBondContact O-N 2.75Å; S284-I288 VanDerWaalsContact O-CB 3.31Å; S284-I288 WeakPolarHBondContact O-CB 3.27Å; S284-I288 WeakPolarHBondContact O-CD1 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 3.19Å; S284-I288 PolarHBondContact O-N 3.28Å |
| 285 | D | 52 | Low | 49.3 | Very low | 72 Ų | 72 | 99.8 Ų | 99.8 | 39% | 0.385 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.9 | -33 | 175.5 | -67 | -24.2 | 0 | 0 | 0 | 111.4 | I281 I288 N289 | I281-D285 WeakPolarHBondContact CG2-OD2 3.18Å; I281-D285 WeakPolarHBondContact O-CB 3.49Å; I281-D285 VanDerWaalsContact O-CG 3.25Å; I281-D285 PolarHBondContact O-N 3.02Å; D285-I288 PolarHBondContact O-N 2.78Å; D285-N289 VanDerWaalsContact O-CB 3.26Å; D285-N289 WeakPolarHBondContact O-CB 3.46Å; D285-N289 PolarHBondContact O-N 3.12Å; D285-N289 PolarHBondContact O-ND2 3.14Å |
| 286 | E | 54.3 | Low | 50.1 | Low | 121 Ų | 121 | 93.8 Ų | 93.8 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.2 | -39.5 | 172.3 | -169.6 | 169.4 | -124 | 0 | 0 | 111.2 | H282 R283 K290 | H282-E286 VanDerWaalsContact O-CB 3.3Å; H282-E286 WeakPolarHBondContact O-CB 3.47Å; H282-E286 PolarHBondContact O-N 2.92Å; R283-E286 PolarHBondContact O-N 3.32Å; E286-K290 VanDerWaalsContact O-CB 3.28Å; E286-K290 WeakPolarHBondContact O-CB 3.29Å; E286-K290 PolarHBondContact O-N 3.33Å |
| 287 | I | 49.8 | Very low | 50.7 | Low | 101 Ų | 101 | 91.8 Ų | 91.8 | 52% | 0.518 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 168.8 | -72.1 | 163.1 | 0 | 0 | 0 | 111 | R283 S284 T291 | R283-I287 WeakPolarHBondContact O-CB 3.2Å; R283-I287 WeakPolarHBondContact O-CD1 3.46Å; R283-I287 WeakPolarHBondContact O-CG1 3.07Å; R283-I287 PolarHBondContact O-N 3.15Å; S284-I287 CarbonylContact O-C 3.52Å; S284-I287 PolarHBondContact O-N 2.75Å; I287-T291 VanDerWaalsContact O-CB 3.25Å; I287-T291 WeakPolarHBondContact O-CB 3.36Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 2.89Å |
| 288 | I | 59.1 | Low | 51.5 | Low | 83 Ų | 83 | 88.4 Ų | 88.4 | 43% | 0.426 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.9 | -41.4 | -179.3 | -73.1 | 161.2 | 0 | 0 | 0 | 111.5 | S284 D285 T291 N292 | S284-I288 VanDerWaalsContact O-CB 3.31Å; S284-I288 WeakPolarHBondContact O-CB 3.27Å; S284-I288 WeakPolarHBondContact O-CD1 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 3.19Å; S284-I288 PolarHBondContact O-N 3.28Å; D285-I288 PolarHBondContact O-N 2.78Å; I288-T291 CarbonylContact O-C 3.57Å; I288-T291 VanDerWaalsContact O-CA 3.31Å; I288-T291 WeakPolarHBondContact O-CA 3.3Å; I288-T291 VanDerWaalsContact O-CB 3.31Å; I288-T291 WeakPolarHBondContact O-CB 3.45Å; I288-T291 PolarHBondContact O-N 2.65Å; I288-N292 VanDerWaalsContact O-CG 3.29Å; I288-N292 PolarHBondContact O-N 3.28Å; I288-N292 PolarHBondContact O-ND2 2.88Å |
| 289 | N | 64.2 | Low | 52.5 | Low | 100 Ų | 100 | 86.8 Ų | 86.8 | 54% | 0.535 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 177.4 | -77.1 | -57.9 | 0 | 0 | 0 | 111.7 | D285 N292 E293 | D285-N289 VanDerWaalsContact O-CB 3.26Å; D285-N289 WeakPolarHBondContact O-CB 3.46Å; D285-N289 PolarHBondContact O-N 3.12Å; D285-N289 PolarHBondContact O-ND2 3.14Å; N289-N292 PolarHBondContact O-N 2.7Å; N289-E293 PolarHBondContact O-N 2.9Å; N289-E293 VanDerWaalsContact O-N 3.08Å |
| 290 | K | 61.9 | Low | 53.7 | Low | 73 Ų | 73 | 83.3 Ų | 83.3 | 32% | 0.317 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.7 | -60.9 | 158.8 | -90.1 | 177.1 | 165.9 | 176.7 | 0 | 108.9 | E286 N292 E293 Q294 N541 | E286-K290 VanDerWaalsContact O-CB 3.28Å; E286-K290 WeakPolarHBondContact O-CB 3.29Å; E286-K290 PolarHBondContact O-N 3.33Å; K290-N292 CarbonylContact O-C 3.54Å; K290-N292 PolarHBondContact O-N 3.01Å; K290-E293 PolarHBondContact O-N 3.12Å; K290-Q294 HydrophobicContact CB-CG 4.18Å; K290-Q294 WeakPolarHBondContact O-CA 3.37Å; K290-Q294 WeakPolarHBondContact O-CB 3.42Å; K290-Q294 WeakPolarHBondContact O-CG 3.36Å; K290-Q294 PolarHBondContact O-N 2.74Å; K290-N541 VanDerWaalsContact CD-OD1 3.25Å; K290-N541 WeakPolarHBondContact CD-OD1 3.48Å; K290-N541 WeakPolarHBondContact CE-OD1 3.35Å; K290-N541 PolarHBondContact NZ-ND2 3.22Å; K290-N541 VanDerWaalsContact NZ-ND2 3.12Å; K290-N541 PolarHBondContact NZ-OD1 2.81Å |
| 291 | T | 48.4 | Very low | 54.4 | Low | 34 Ų | 34 | 77.6 Ų | 77.6 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -46.5 | -24 | -179.8 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | I287 I288 Q294 S295 N548 | I287-T291 VanDerWaalsContact O-CB 3.25Å; I287-T291 WeakPolarHBondContact O-CB 3.36Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 2.89Å; I288-T291 CarbonylContact O-C 3.57Å; I288-T291 VanDerWaalsContact O-CA 3.31Å; I288-T291 WeakPolarHBondContact O-CA 3.3Å; I288-T291 VanDerWaalsContact O-CB 3.31Å; I288-T291 WeakPolarHBondContact O-CB 3.45Å; I288-T291 PolarHBondContact O-N 2.65Å; T291-Q294 CarbonylContact O-C 3.51Å; T291-Q294 VanDerWaalsContact O-C 3.31Å; T291-Q294 WeakPolarHBondContact O-CB 3.44Å; T291-S295 VanDerWaalsContact O-CB 3.27Å; T291-S295 WeakPolarHBondContact O-CB 3.38Å; T291-S295 PolarHBondContact O-N 3.45Å; T291-S295 VanDerWaalsContact O-N 3.09Å; T291-N548 WeakPolarHBondContact CG2-OD1 3.2Å; T291-N548 WeakPolarHBondContact O-CB 3.47Å; T291-N548 PolarHBondContact O-ND2 2.91Å |
| 292 | N | 59.1 | Low | 55.4 | Low | 78 Ų | 78 | 74.7 Ų | 74.7 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -91.5 | -28.6 | 173.7 | -67.6 | -32.4 | 0 | 0 | 0 | 117.2 | I288 N289 K290 S295 N296 | I288-N292 VanDerWaalsContact O-CG 3.29Å; I288-N292 PolarHBondContact O-N 3.28Å; I288-N292 PolarHBondContact O-ND2 2.88Å; N289-N292 PolarHBondContact O-N 2.7Å; K290-N292 CarbonylContact O-C 3.54Å; K290-N292 PolarHBondContact O-N 3.01Å; N292-S295 CarbonylContact O-C 3.45Å; N292-S295 WeakPolarHBondContact O-CA 3.49Å; N292-S295 VanDerWaalsContact O-CB 3.24Å; N292-S295 WeakPolarHBondContact O-CB 3.42Å; N292-S295 PolarHBondContact O-N 3.42Å; N292-N296 PolarHBondContact O-N 2.76Å; N292-N296 PolarHBondContact O-ND2 2.76Å |
| 293 | E | 60.2 | Low | 55.9 | Low | 132 Ų | 132 | 69.8 Ų | 69.8 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -75.7 | -39.2 | 164 | -67.6 | -176.8 | 144.4 | 0 | 0 | 110.8 | N289 K290 S295 N296 | N289-E293 PolarHBondContact O-N 2.9Å; N289-E293 VanDerWaalsContact O-N 3.08Å; K290-E293 PolarHBondContact O-N 3.12Å; E293-S295 PolarHBondContact O-N 3.2Å; E293-S295 VanDerWaalsContact O-N 3.08Å; E293-N296 WeakPolarHBondContact O-CA 3.37Å; E293-N296 PolarHBondContact O-N 3.45Å |
| 294 | Q | 42.8 | Very low | 56.7 | Low | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.023 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -12.5 | 152.4 | -55.6 | -177.2 | -29.5 | 0 | 0 | 113.6 | K290 T291 N541 Q544 V545 N548 T549 | K290-Q294 HydrophobicContact CB-CG 4.18Å; K290-Q294 WeakPolarHBondContact O-CA 3.37Å; K290-Q294 WeakPolarHBondContact O-CB 3.42Å; K290-Q294 WeakPolarHBondContact O-CG 3.36Å; K290-Q294 PolarHBondContact O-N 2.74Å; T291-Q294 CarbonylContact O-C 3.51Å; T291-Q294 VanDerWaalsContact O-C 3.31Å; T291-Q294 WeakPolarHBondContact O-CB 3.44Å; Q294-N541 PolarHBondContact NE2-O 2.78Å; Q294-Q544 VanDerWaalsContact CA-O 3.23Å; Q294-Q544 WeakPolarHBondContact CA-O 3.35Å; Q294-Q544 VanDerWaalsContact CB-C 3.49Å; Q294-Q544 HydrophobicContact CB-CG 4.22Å; Q294-Q544 WeakPolarHBondContact CB-O 3.33Å; Q294-Q544 HydrophobicContact CG-CB 4.27Å; Q294-Q544 HydrophobicContact CG-CG 4.04Å; Q294-Q544 WeakPolarHBondContact CG-O 3.48Å; Q294-V545 VanDerWaalsContact CA-CA 3.48Å; Q294-V545 WeakPolarHBondContact CA-O 3.43Å; Q294-V545 VanDerWaalsContact CG-CA 3.44Å; Q294-V545 HydrophobicContact CG-CB 4.2Å; Q294-V545 HydrophobicContact CG-CG2 3.68Å; Q294-N548 CarbonylContact O-C 3.55Å; Q294-N548 WeakPolarHBondContact O-CA 3.35Å; Q294-N548 WeakPolarHBondContact O-CB 3.5Å; Q294-N548 PolarHBondContact O-N 3.34Å; Q294-T549 VanDerWaalsContact C-OG1 3.32Å; Q294-T549 PolarHBondContact O-N 3.44Å; Q294-T549 PolarHBondContact O-OG1 3.02Å |
| 295 | S | 53.4 | Low | 57.5 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 24.9 | 169.1 | -136 | 0 | 0 | 0 | 0 | 113.3 | T291 N292 E293 N548 T549 N552 | T291-S295 VanDerWaalsContact O-CB 3.27Å; T291-S295 WeakPolarHBondContact O-CB 3.38Å; T291-S295 PolarHBondContact O-N 3.45Å; T291-S295 VanDerWaalsContact O-N 3.09Å; N292-S295 CarbonylContact O-C 3.45Å; N292-S295 WeakPolarHBondContact O-CA 3.49Å; N292-S295 VanDerWaalsContact O-CB 3.24Å; N292-S295 WeakPolarHBondContact O-CB 3.42Å; N292-S295 PolarHBondContact O-N 3.42Å; E293-S295 PolarHBondContact O-N 3.2Å; E293-S295 VanDerWaalsContact O-N 3.08Å; S295-N548 WeakPolarHBondContact OG-CB 3.34Å; S295-N548 PolarHBondContact OG-O 3.48Å; S295-T549 VanDerWaalsContact C-CB 3.49Å; S295-T549 WeakPolarHBondContact CA-OG1 3.37Å; S295-T549 PolarHBondContact N-OG1 3.22Å; S295-T549 WeakPolarHBondContact O-CG2 3.4Å; S295-N552 WeakPolarHBondContact CB-ND2 3.39Å; S295-N552 PolarHBondContact O-ND2 3.13Å; S295-N552 WeakPolarHBondContact OG-CB 3.3Å; S295-N552 PolarHBondContact OG-ND2 2.96Å |
| 296 | N | 57.7 | Low | 58.2 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | -4.2 | 166 | -74.3 | -75 | 0 | 0 | 0 | 118.8 | N292 E293 T549 | N292-N296 PolarHBondContact O-N 2.76Å; N292-N296 PolarHBondContact O-ND2 2.76Å; E293-N296 WeakPolarHBondContact O-CA 3.37Å; E293-N296 PolarHBondContact O-N 3.45Å; N296-T549 WeakPolarHBondContact CA-OG1 3.37Å; N296-T549 VanDerWaalsContact N-CG2 3.34Å; N296-T549 PolarHBondContact N-OG1 3.49Å |
| 297 | E | 54.4 | Low | 59.1 | Low | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -93.7 | -52.2 | 178.1 | -155 | 165.9 | -99.8 | 0 | 0 | 117.5 | K299 S300 L301 V545 Q546 T549 | E297-K299 PolarHBondContact O-N 3.4Å; E297-S300 WeakPolarHBondContact O-CA 3.43Å; E297-S300 WeakPolarHBondContact O-CB 3.09Å; E297-S300 PolarHBondContact O-N 3.42Å; E297-L301 PolarHBondContact O-N 2.8Å; E297-V545 HydrophobicContact CB-CG1 3.94Å; E297-V545 WeakPolarHBondContact CB-O 3.37Å; E297-V545 HydrophobicContact CG-CG1 4.48Å; E297-Q546 HydrophobicContact CB-CG 4.23Å; E297-Q546 HydrophobicContact CG-CG 4.22Å; E297-Q546 WeakPolarHBondContact OE2-CG 3.48Å; E297-Q546 PolarHBondContact OE2-NE2 3.04Å; E297-T549 PolarHBondContact N-OG1 2.82Å |
| 298 | I | 52.2 | Low | 59.9 | Low | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -3.1 | 167 | -63.8 | 171.1 | 0 | 0 | 0 | 112.7 | S300 L301 S302 Q546 T549 V550 | I298-S300 PolarHBondContact O-N 2.77Å; I298-L301 HydrophobicContact CB-CB 4.17Å; I298-L301 HydrophobicContact CG1-CB 3.92Å; I298-L301 HydrophobicContact CG1-CD1 3.82Å; I298-L301 HydrophobicContact CG1-CG 4.29Å; I298-L301 HydrophobicContact CG2-CB 4.29Å; I298-L301 PolarHBondContact O-N 3.37Å; I298-S302 WeakPolarHBondContact O-CA 3.13Å; I298-S302 WeakPolarHBondContact O-CB 3.2Å; I298-S302 PolarHBondContact O-N 3.31Å; I298-Q546 WeakPolarHBondContact CB-O 3.45Å; I298-Q546 VanDerWaalsContact CD1-C 3.48Å; I298-Q546 HydrophobicContact CD1-CB 3.75Å; I298-Q546 VanDerWaalsContact CD1-O 3.25Å; I298-Q546 WeakPolarHBondContact CD1-O 3.49Å; I298-Q546 HydrophobicContact CG1-CB 3.66Å; I298-Q546 HydrophobicContact CG1-CG 4.3Å; I298-Q546 WeakPolarHBondContact CG1-O 3.45Å; I298-T549 VanDerWaalsContact N-CB 3.28Å; I298-T549 PolarHBondContact N-OG1 3.34Å; I298-V550 HydrophobicContact CG2-CB 3.86Å; I298-V550 HydrophobicContact CG2-CG2 4.06Å |
| 299 | K | 61.1 | Low | 60.2 | Low | 48 Ų | 48 | 70.8 Ų | 70.8 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 163.2 | -119.4 | 175.6 | -141.8 | -53.2 | 0 | 108.5 | E297 C303 T549 N552 H553 | E297-K299 PolarHBondContact O-N 3.4Å; K299-C303 WeakPolarHBondContact O-CB 3.11Å; K299-T549 HydrophobicContact CB-CG2 3.55Å; K299-T549 HydrophobicContact CD-CG2 4.04Å; K299-T549 HydrophobicContact CG-CG2 3.6Å; K299-N552 PolarHBondContact NZ-O 3.06Å; K299-H553 VanDerWaalsContact CA-CD2 3.47Å; K299-H553 WeakPolarHBondContact CA-CD2 3.5Å; K299-H553 HydrophobicContact CG-CB 4.32Å; K299-H553 PolarHBondContact O-CD2 3.47Å; K299-H553 PolarHBondContact O-NE2 2.72Å |
| 300 | S | 68.7 | Low | 60.6 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.8 | -54.9 | 167.9 | -155 | 0 | 0 | 0 | 0 | 111.5 | E297 I298 Q304 | E297-S300 WeakPolarHBondContact O-CA 3.43Å; E297-S300 WeakPolarHBondContact O-CB 3.09Å; E297-S300 PolarHBondContact O-N 3.42Å; I298-S300 PolarHBondContact O-N 2.77Å; S300-Q304 VanDerWaalsContact O-CB 3.3Å; S300-Q304 WeakPolarHBondContact O-CB 3.19Å; S300-Q304 WeakPolarHBondContact O-CG 3.23Å; S300-Q304 PolarHBondContact O-N 3.44Å; S300-Q304 PolarHBondContact O-NE2 2.71Å; S300-Q304 PolarHBondContact OG-NE2 3.12Å |
| 301 | L | 57.5 | Low | 61.1 | Low | 63 Ų | 63 | 74.4 Ų | 74.4 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.1 | -33.3 | -169.1 | -54.5 | 174.5 | 0 | 0 | 0 | 114.7 | E297 I298 Q304 L305 Q546 | E297-L301 PolarHBondContact O-N 2.8Å; I298-L301 HydrophobicContact CB-CB 4.17Å; I298-L301 HydrophobicContact CG1-CB 3.92Å; I298-L301 HydrophobicContact CG1-CD1 3.82Å; I298-L301 HydrophobicContact CG1-CG 4.29Å; I298-L301 HydrophobicContact CG2-CB 4.29Å; I298-L301 PolarHBondContact O-N 3.37Å; L301-Q304 PolarHBondContact O-N 3.09Å; L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 PolarHBondContact O-N 3.47Å; L301-Q546 HydrophobicContact CD1-CG 3.93Å |
| 302 | S | 65 | Low | 62.1 | Low | 31 Ų | 31 | 76.8 Ų | 76.8 | 22% | 0.217 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75 | -40 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | I298 Q304 L305 E306 | I298-S302 WeakPolarHBondContact O-CA 3.13Å; I298-S302 WeakPolarHBondContact O-CB 3.2Å; I298-S302 PolarHBondContact O-N 3.31Å; S302-Q304 PolarHBondContact O-N 2.97Å; S302-L305 CarbonylContact O-C 3.51Å; S302-L305 PolarHBondContact O-N 3.08Å; S302-E306 VanDerWaalsContact O-CB 3.32Å; S302-E306 WeakPolarHBondContact O-CB 3.3Å; S302-E306 PolarHBondContact O-N 3.44Å |
| 303 | C | 62.4 | Low | 62.5 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.9 | -27.6 | 171.3 | -166 | 0 | 0 | 0 | 0 | 111.9 | K299 K307 | K299-C303 WeakPolarHBondContact O-CB 3.11Å; C303-K307 VanDerWaalsContact O-CB 3.31Å; C303-K307 WeakPolarHBondContact O-CB 3.39Å; C303-K307 VanDerWaalsContact O-CD 3.27Å; C303-K307 WeakPolarHBondContact O-CD 2.96Å; C303-K307 WeakPolarHBondContact O-CG 3.08Å; C303-K307 PolarHBondContact O-N 3.1Å; C303-K307 VanDerWaalsContact O-N 3.09Å; C303-K307 VanDerWaalsContact SG-CE 3.57Å; C303-K307 PolarHBondContact SG-NZ 3.09Å |
| 304 | Q | 64.2 | Low | 63.1 | Low | 94 Ų | 94 | 73.3 Ų | 73.3 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 168.8 | -76.5 | 175.9 | 75.6 | 0 | 0 | 111.9 | S300 L301 S302 K307 L308 | S300-Q304 VanDerWaalsContact O-CB 3.3Å; S300-Q304 WeakPolarHBondContact O-CB 3.19Å; S300-Q304 WeakPolarHBondContact O-CG 3.23Å; S300-Q304 PolarHBondContact O-N 3.44Å; S300-Q304 PolarHBondContact O-NE2 2.71Å; S300-Q304 PolarHBondContact OG-NE2 3.12Å; L301-Q304 PolarHBondContact O-N 3.09Å; S302-Q304 PolarHBondContact O-N 2.97Å; Q304-K307 CarbonylContact O-C 3.52Å; Q304-K307 PolarHBondContact O-N 3.03Å; Q304-L308 WeakPolarHBondContact O-CB 3.33Å; Q304-L308 VanDerWaalsContact O-CG 3.23Å; Q304-L308 WeakPolarHBondContact O-CG 3.18Å; Q304-L308 PolarHBondContact O-N 2.95Å |
| 305 | L | 58.8 | Low | 64.3 | Low | 98 Ų | 98 | 75.5 Ų | 75.5 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 173.7 | -93.9 | 162.6 | 0 | 0 | 0 | 112.1 | L301 S302 L308 N309 | L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 PolarHBondContact O-N 3.47Å; S302-L305 CarbonylContact O-C 3.51Å; S302-L305 PolarHBondContact O-N 3.08Å; L305-L308 CarbonylContact O-C 3.54Å; L305-L308 PolarHBondContact O-N 2.93Å; L305-N309 VanDerWaalsContact O-CB 3.25Å; L305-N309 WeakPolarHBondContact O-CB 3.34Å; L305-N309 PolarHBondContact O-N 3.24Å |
| 306 | E | 67.2 | Low | 65.2 | Low | 107 Ų | 107 | 78.3 Ų | 78.3 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 176 | -171.4 | 176 | -139.2 | 0 | 0 | 111 | S302 L308 N309 Q310 | S302-E306 VanDerWaalsContact O-CB 3.32Å; S302-E306 WeakPolarHBondContact O-CB 3.3Å; S302-E306 PolarHBondContact O-N 3.44Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 3.09Å; E306-N309 PolarHBondContact O-N 2.84Å; E306-Q310 WeakPolarHBondContact O-CB 3.49Å; E306-Q310 PolarHBondContact O-N 3.43Å |
| 307 | K | 72.1 | Confident | 66 | Low | 128 Ų | 128 | 78.3 Ų | 78.3 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.7 | -26.9 | 171.1 | -74.6 | 165.9 | -174.2 | 150.2 | 0 | 113.4 | C303 Q304 K311 | C303-K307 VanDerWaalsContact O-CB 3.31Å; C303-K307 WeakPolarHBondContact O-CB 3.39Å; C303-K307 VanDerWaalsContact O-CD 3.27Å; C303-K307 WeakPolarHBondContact O-CD 2.96Å; C303-K307 WeakPolarHBondContact O-CG 3.08Å; C303-K307 PolarHBondContact O-N 3.1Å; C303-K307 VanDerWaalsContact O-N 3.09Å; C303-K307 VanDerWaalsContact SG-CE 3.57Å; C303-K307 PolarHBondContact SG-NZ 3.09Å; Q304-K307 CarbonylContact O-C 3.52Å; Q304-K307 PolarHBondContact O-N 3.03Å; K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 WeakPolarHBondContact O-CD 3.25Å; K307-K311 WeakPolarHBondContact O-CG 3.5Å; K307-K311 PolarHBondContact O-N 2.87Å |
| 308 | L | 66.6 | Low | 67 | Low | 93 Ų | 93 | 78.3 Ų | 78.3 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -79.7 | -39.7 | 173.9 | -76.7 | 166.9 | 0 | 0 | 0 | 111.1 | Q304 L305 E306 K311 L312 | Q304-L308 WeakPolarHBondContact O-CB 3.33Å; Q304-L308 VanDerWaalsContact O-CG 3.23Å; Q304-L308 WeakPolarHBondContact O-CG 3.18Å; Q304-L308 PolarHBondContact O-N 2.95Å; L305-L308 CarbonylContact O-C 3.54Å; L305-L308 PolarHBondContact O-N 2.93Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 3.09Å; L308-K311 CarbonylContact O-C 3.57Å; L308-K311 WeakPolarHBondContact O-CB 3.48Å; L308-K311 PolarHBondContact O-N 3.2Å; L308-L312 VanDerWaalsContact O-CB 3.31Å; L308-L312 WeakPolarHBondContact O-CB 3.32Å; L308-L312 PolarHBondContact O-N 2.9Å |
| 309 | N | 66.5 | Low | 68.2 | Low | 91 Ų | 91 | 82.3 Ų | 82.3 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 176.1 | -73.6 | -11.5 | 0 | 0 | 0 | 111.6 | L305 E306 L312 A313 | L305-N309 VanDerWaalsContact O-CB 3.25Å; L305-N309 WeakPolarHBondContact O-CB 3.34Å; L305-N309 PolarHBondContact O-N 3.24Å; E306-N309 PolarHBondContact O-N 2.84Å; N309-L312 PolarHBondContact O-N 3.36Å; N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.39Å |
| 310 | Q | 72.7 | Confident | 69 | Low | 111 Ų | 111 | 84.8 Ų | 84.8 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 168.8 | -174.7 | 61.6 | 58.1 | 0 | 0 | 110.8 | E306 L312 A313 D314 | E306-Q310 WeakPolarHBondContact O-CB 3.49Å; E306-Q310 PolarHBondContact O-N 3.43Å; Q310-L312 VanDerWaalsContact C-N 3.26Å; Q310-L312 PolarHBondContact O-N 3.31Å; Q310-A313 PolarHBondContact O-N 2.89Å; Q310-D314 PolarHBondContact NE2-OD1 2.87Å; Q310-D314 WeakPolarHBondContact O-CB 3.35Å; Q310-D314 PolarHBondContact O-N 2.79Å |
| 311 | K | 72.4 | Confident | 69.5 | Low | 138 Ų | 138 | 87.9 Ų | 87.9 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64 | -30.9 | 172.5 | -76.7 | 171.3 | -177.8 | 178.4 | 0 | 112.9 | K307 L308 S315 | K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 WeakPolarHBondContact O-CD 3.25Å; K307-K311 WeakPolarHBondContact O-CG 3.5Å; K307-K311 PolarHBondContact O-N 2.87Å; L308-K311 CarbonylContact O-C 3.57Å; L308-K311 WeakPolarHBondContact O-CB 3.48Å; L308-K311 PolarHBondContact O-N 3.2Å; K311-S315 WeakPolarHBondContact O-CB 3.27Å; K311-S315 PolarHBondContact O-N 2.78Å |
| 312 | L | 70 | Confident | 70.3 | Confident | 85 Ų | 85 | 89 Ų | 89 | 45% | 0.445 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.2 | -41.5 | 176.3 | -168.7 | 68.8 | 0 | 0 | 0 | 110.4 | L308 N309 Q310 S315 E316 | L308-L312 VanDerWaalsContact O-CB 3.31Å; L308-L312 WeakPolarHBondContact O-CB 3.32Å; L308-L312 PolarHBondContact O-N 2.9Å; N309-L312 PolarHBondContact O-N 3.36Å; Q310-L312 VanDerWaalsContact C-N 3.26Å; Q310-L312 PolarHBondContact O-N 3.31Å; L312-S315 CarbonylContact O-C 3.56Å; L312-S315 PolarHBondContact O-N 3.1Å; L312-E316 VanDerWaalsContact O-CB 3.3Å; L312-E316 WeakPolarHBondContact O-CB 3.28Å; L312-E316 PolarHBondContact O-N 2.79Å |
| 313 | A | 67.1 | Low | 70.8 | Confident | 53 Ų | 53 | 91.8 Ų | 91.8 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N309 Q310 S315 E316 D317 | N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.39Å; Q310-A313 PolarHBondContact O-N 2.89Å; A313-S315 VanDerWaalsContact C-N 3.29Å; A313-S315 PolarHBondContact O-N 3.25Å; A313-E316 PolarHBondContact O-N 3.48Å; A313-D317 WeakPolarHBondContact O-CB 3.48Å; A313-D317 PolarHBondContact O-N 3.04Å |
| 314 | D | 71.4 | Confident | 71.6 | Confident | 83 Ų | 83 | 96.8 Ų | 96.8 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 172.2 | -66.8 | -8.7 | 0 | 0 | 0 | 110.7 | Q310 I318 | Q310-D314 PolarHBondContact NE2-OD1 2.87Å; Q310-D314 WeakPolarHBondContact O-CB 3.35Å; Q310-D314 PolarHBondContact O-N 2.79Å; D314-I318 WeakPolarHBondContact O-CB 3.4Å; D314-I318 WeakPolarHBondContact O-CD1 3.49Å; D314-I318 WeakPolarHBondContact O-CG1 3.22Å; D314-I318 PolarHBondContact O-N 3.25Å |
| 315 | S | 68.2 | Low | 72.2 | Confident | 51 Ų | 51 | 96.3 Ų | 96.3 | 36% | 0.357 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.3 | -32.8 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | K311 L312 A313 R319 | K311-S315 WeakPolarHBondContact O-CB 3.27Å; K311-S315 PolarHBondContact O-N 2.78Å; L312-S315 CarbonylContact O-C 3.56Å; L312-S315 PolarHBondContact O-N 3.1Å; A313-S315 VanDerWaalsContact C-N 3.29Å; A313-S315 PolarHBondContact O-N 3.25Å; S315-R319 WeakPolarHBondContact O-CB 3.49Å; S315-R319 PolarHBondContact O-N 3.08Å |
| 316 | E | 73.8 | Confident | 73 | Confident | 67 Ų | 67 | 94.7 Ų | 94.7 | 31% | 0.313 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -79.8 | -37.2 | 179.6 | -162.1 | 57.9 | -132.4 | 0 | 0 | 111.1 | L312 A313 I318 R319 I320 | L312-E316 VanDerWaalsContact O-CB 3.3Å; L312-E316 WeakPolarHBondContact O-CB 3.28Å; L312-E316 PolarHBondContact O-N 2.79Å; A313-E316 PolarHBondContact O-N 3.48Å; E316-I318 VanDerWaalsContact C-N 3.29Å; E316-I318 PolarHBondContact O-N 3.27Å; E316-R319 CarbonylContact O-C 3.6Å; E316-R319 WeakPolarHBondContact O-CB 3.28Å; E316-R319 PolarHBondContact O-N 3.4Å; E316-R319 VanDerWaalsContact O-N 3.09Å; E316-R319 VanDerWaalsContact OE1-CD 3.27Å; E316-R319 WeakPolarHBondContact OE1-CD 3.19Å; E316-R319 IonicContact OE1-CZ 2.64Å; E316-R319 IonicContact OE1-NE 2.65Å; E316-R319 PolarHBondContact OE1-NE 3.1Å; E316-R319 IonicContact OE2-CZ 3.02Å; E316-R319 IonicContact OE2-NE 2.68Å; E316-R319 PolarHBondContact OE2-NE 3.02Å; E316-R319 IonicContact OE2-NH2 2.7Å; E316-R319 PolarHBondContact OE2-NH2 2.94Å; E316-I320 HydrophobicContact CG-CD1 4.18Å; E316-I320 WeakPolarHBondContact O-CB 3.48Å; E316-I320 VanDerWaalsContact O-CG1 3.25Å; E316-I320 WeakPolarHBondContact O-CG1 3.39Å; E316-I320 PolarHBondContact O-N 3.37Å |
| 317 | D | 73.4 | Confident | 73.4 | Confident | 98 Ų | 98 | 93.1 Ų | 93.1 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 170.1 | -162 | 64.6 | 0 | 0 | 0 | 110.9 | A313 R321 | A313-D317 WeakPolarHBondContact O-CB 3.48Å; A313-D317 PolarHBondContact O-N 3.04Å; D317-R321 VanDerWaalsContact O-CB 3.23Å; D317-R321 WeakPolarHBondContact O-CB 3.33Å; D317-R321 PolarHBondContact O-N 2.83Å |
| 318 | I | 76.5 | Confident | 73.6 | Confident | 80 Ų | 80 | 92.7 Ų | 92.7 | 41% | 0.41 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 165.6 | -72.9 | 166 | 0 | 0 | 0 | 111.5 | D314 E316 R321 L322 | D314-I318 WeakPolarHBondContact O-CB 3.4Å; D314-I318 WeakPolarHBondContact O-CD1 3.49Å; D314-I318 WeakPolarHBondContact O-CG1 3.22Å; D314-I318 PolarHBondContact O-N 3.25Å; E316-I318 VanDerWaalsContact C-N 3.29Å; E316-I318 PolarHBondContact O-N 3.27Å; I318-R321 PolarHBondContact O-N 3.43Å; I318-L322 HydrophobicContact CG2-CD1 3.84Å; I318-L322 HydrophobicContact CG2-CG 4.35Å; I318-L322 WeakPolarHBondContact O-CB 2.95Å; I318-L322 WeakPolarHBondContact O-CG 3.39Å; I318-L322 PolarHBondContact O-N 3.03Å |
| 319 | R | 77.6 | Confident | 73.8 | Confident | 121 Ų | 121 | 93.9 Ų | 93.9 | 46% | 0.457 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 178.3 | -160.5 | -156.6 | -48.3 | -97.6 | 0 | 110.8 | S315 E316 R321 L322 D323 | S315-R319 WeakPolarHBondContact O-CB 3.49Å; S315-R319 PolarHBondContact O-N 3.08Å; E316-R319 CarbonylContact O-C 3.6Å; E316-R319 WeakPolarHBondContact O-CB 3.28Å; E316-R319 PolarHBondContact O-N 3.4Å; E316-R319 VanDerWaalsContact O-N 3.09Å; E316-R319 VanDerWaalsContact OE1-CD 3.27Å; E316-R319 WeakPolarHBondContact OE1-CD 3.19Å; E316-R319 IonicContact OE1-CZ 2.64Å; E316-R319 IonicContact OE1-NE 2.65Å; E316-R319 PolarHBondContact OE1-NE 3.1Å; E316-R319 IonicContact OE2-CZ 3.02Å; E316-R319 IonicContact OE2-NE 2.68Å; E316-R319 PolarHBondContact OE2-NE 3.02Å; E316-R319 IonicContact OE2-NH2 2.7Å; E316-R319 PolarHBondContact OE2-NH2 2.94Å; R319-R321 VanDerWaalsContact C-N 3.33Å; R319-R321 PolarHBondContact O-N 2.74Å; R319-L322 CarbonylContact O-C 3.6Å; R319-L322 PolarHBondContact O-N 3.23Å; R319-D323 WeakPolarHBondContact O-CB 3.4Å; R319-D323 PolarHBondContact O-N 3.41Å |
| 320 | I | 77.5 | Confident | 74 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.2 | -69 | 165.3 | 0 | 0 | 0 | 110.7 | E316 D323 K324 | E316-I320 HydrophobicContact CG-CD1 4.18Å; E316-I320 WeakPolarHBondContact O-CB 3.48Å; E316-I320 VanDerWaalsContact O-CG1 3.25Å; E316-I320 WeakPolarHBondContact O-CG1 3.39Å; E316-I320 PolarHBondContact O-N 3.37Å; I320-D323 PolarHBondContact O-N 2.84Å; I320-K324 VanDerWaalsContact O-CB 3.31Å; I320-K324 WeakPolarHBondContact O-CB 3.43Å; I320-K324 PolarHBondContact O-N 3.49Å |
| 321 | R | 78.6 | Confident | 74 | Confident | 126 Ų | 126 | 94.2 Ų | 94.2 | 48% | 0.475 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 175.7 | -158.2 | -176.6 | 74.9 | -117.4 | -0.4 | 112.1 | D317 I318 R319 K324 E325 | D317-R321 VanDerWaalsContact O-CB 3.23Å; D317-R321 WeakPolarHBondContact O-CB 3.33Å; D317-R321 PolarHBondContact O-N 2.83Å; I318-R321 PolarHBondContact O-N 3.43Å; R319-R321 VanDerWaalsContact C-N 3.33Å; R319-R321 PolarHBondContact O-N 2.74Å; R321-K324 PolarHBondContact O-N 2.83Å; R321-E325 IonicContact NE-OE1 2.61Å; R321-E325 PolarHBondContact NE-OE1 3.35Å; R321-E325 WeakPolarHBondContact O-CB 3.4Å; R321-E325 VanDerWaalsContact O-CG 3.31Å; R321-E325 WeakPolarHBondContact O-CG 3.5Å; R321-E325 PolarHBondContact O-N 3.35Å |
| 322 | L | 74.5 | Confident | 73.8 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 173.2 | -78.5 | 171.6 | 0 | 0 | 0 | 111.9 | I318 R319 K324 E325 V326 | I318-L322 HydrophobicContact CG2-CD1 3.84Å; I318-L322 HydrophobicContact CG2-CG 4.35Å; I318-L322 WeakPolarHBondContact O-CB 2.95Å; I318-L322 WeakPolarHBondContact O-CG 3.39Å; I318-L322 PolarHBondContact O-N 3.03Å; R319-L322 CarbonylContact O-C 3.6Å; R319-L322 PolarHBondContact O-N 3.23Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 2.87Å; L322-E325 PolarHBondContact O-N 3.05Å; L322-V326 VanDerWaalsContact O-CB 3.22Å; L322-V326 WeakPolarHBondContact O-CB 3.43Å; L322-V326 WeakPolarHBondContact O-CG2 3.34Å; L322-V326 PolarHBondContact O-N 2.69Å |
| 323 | D | 75 | Confident | 72.9 | Confident | 89 Ų | 89 | 90.5 Ų | 90.5 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.8 | -32.7 | 177.5 | -128.9 | -1.1 | 0 | 0 | 0 | 110.9 | R319 I320 N327 | R319-D323 WeakPolarHBondContact O-CB 3.4Å; R319-D323 PolarHBondContact O-N 3.41Å; I320-D323 PolarHBondContact O-N 2.84Å; D323-N327 VanDerWaalsContact O-CB 3.24Å; D323-N327 WeakPolarHBondContact O-CB 3.42Å; D323-N327 VanDerWaalsContact O-CG 3.3Å; D323-N327 PolarHBondContact O-N 2.76Å; D323-N327 PolarHBondContact O-ND2 3.41Å |
| 324 | K | 80.4 | Confident | 72.1 | Confident | 132 Ų | 132 | 90.2 Ų | 90.2 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.6 | -48.6 | 170.8 | -169.1 | 174.3 | -179.2 | 179.1 | 0 | 111.8 | I320 R321 L322 V326 N327 E328 | I320-K324 VanDerWaalsContact O-CB 3.31Å; I320-K324 WeakPolarHBondContact O-CB 3.43Å; I320-K324 PolarHBondContact O-N 3.49Å; R321-K324 PolarHBondContact O-N 2.83Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 2.87Å; K324-V326 VanDerWaalsContact C-N 3.32Å; K324-V326 PolarHBondContact O-N 3.13Å; K324-N327 PolarHBondContact O-N 2.85Å; K324-E328 WeakPolarHBondContact CE-OE1 3.31Å; K324-E328 WeakPolarHBondContact O-CB 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.3Å; K324-E328 PolarHBondContact O-N 3.28Å |
| 325 | E | 76.9 | Confident | 71.4 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 174.3 | -72.8 | 172.4 | -148.5 | 0 | 0 | 111.1 | R321 L322 E328 L329 | R321-E325 IonicContact NE-OE1 2.61Å; R321-E325 PolarHBondContact NE-OE1 3.35Å; R321-E325 WeakPolarHBondContact O-CB 3.4Å; R321-E325 VanDerWaalsContact O-CG 3.31Å; R321-E325 WeakPolarHBondContact O-CG 3.5Å; R321-E325 PolarHBondContact O-N 3.35Å; L322-E325 PolarHBondContact O-N 3.05Å; E325-E328 PolarHBondContact O-N 3.4Å; E325-L329 VanDerWaalsContact O-CB 3.27Å; E325-L329 WeakPolarHBondContact O-CB 3.31Å; E325-L329 WeakPolarHBondContact O-CG 3.33Å; E325-L329 PolarHBondContact O-N 2.84Å |
| 326 | V | 75.1 | Confident | 70.4 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 39% | 0.394 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 175.9 | 165.4 | 0 | 0 | 0 | 0 | 112.1 | L322 K324 K330 | L322-V326 VanDerWaalsContact O-CB 3.22Å; L322-V326 WeakPolarHBondContact O-CB 3.43Å; L322-V326 WeakPolarHBondContact O-CG2 3.34Å; L322-V326 PolarHBondContact O-N 2.69Å; K324-V326 VanDerWaalsContact C-N 3.32Å; K324-V326 PolarHBondContact O-N 3.13Å; V326-K330 WeakPolarHBondContact O-CB 3.48Å; V326-K330 PolarHBondContact O-N 3.17Å |
| 327 | N | 75.3 | Confident | 68.8 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.9 | -34.4 | 175.6 | -77.4 | -55.7 | 0 | 0 | 0 | 112.5 | D323 K324 K330 S331 | D323-N327 VanDerWaalsContact O-CB 3.24Å; D323-N327 WeakPolarHBondContact O-CB 3.42Å; D323-N327 VanDerWaalsContact O-CG 3.3Å; D323-N327 PolarHBondContact O-N 2.76Å; D323-N327 PolarHBondContact O-ND2 3.41Å; K324-N327 PolarHBondContact O-N 2.85Å; N327-K330 PolarHBondContact O-N 3.45Å; N327-S331 WeakPolarHBondContact O-CB 3.24Å; N327-S331 PolarHBondContact O-N 2.93Å; N327-S331 PolarHBondContact O-OG 3.11Å |
| 328 | E | 76.1 | Confident | 67.5 | Low | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 168.9 | -73.3 | 178.2 | -158.7 | 0 | 0 | 110.6 | K324 E325 S331 A332 | K324-E328 WeakPolarHBondContact CE-OE1 3.31Å; K324-E328 WeakPolarHBondContact O-CB 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.3Å; K324-E328 PolarHBondContact O-N 3.28Å; E325-E328 PolarHBondContact O-N 3.4Å; E328-S331 PolarHBondContact O-N 3.38Å; E328-A332 WeakPolarHBondContact O-CB 3.2Å; E328-A332 PolarHBondContact O-N 2.71Å |
| 329 | L | 71.4 | Confident | 65.7 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 172.2 | -74 | 170.3 | 0 | 0 | 0 | 112.8 | E325 S331 A332 L333 | E325-L329 VanDerWaalsContact O-CB 3.27Å; E325-L329 WeakPolarHBondContact O-CB 3.31Å; E325-L329 WeakPolarHBondContact O-CG 3.33Å; E325-L329 PolarHBondContact O-N 2.84Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 PolarHBondContact O-N 3.05Å; L329-A332 PolarHBondContact O-N 3.15Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.41Å |
| 330 | K | 70.5 | Confident | 63.7 | Low | 132 Ų | 132 | 100.7 Ų | 100.7 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -39.8 | 171 | -97.8 | 171.7 | 174.6 | 166.4 | 0 | 111.4 | V326 N327 G334 | V326-K330 WeakPolarHBondContact O-CB 3.48Å; V326-K330 PolarHBondContact O-N 3.17Å; N327-K330 PolarHBondContact O-N 3.45Å; K330-G334 WeakPolarHBondContact O-CA 3.25Å; K330-G334 PolarHBondContact O-N 3.18Å |
| 331 | S | 72.6 | Confident | 61.5 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.9 | -40.6 | 179 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | N327 E328 L329 S335 | N327-S331 WeakPolarHBondContact O-CB 3.24Å; N327-S331 PolarHBondContact O-N 2.93Å; N327-S331 PolarHBondContact O-OG 3.11Å; E328-S331 PolarHBondContact O-N 3.38Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 PolarHBondContact O-N 3.05Å; S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.04Å; S331-S335 PolarHBondContact O-OG 2.92Å |
| 332 | A | 67.3 | Low | 59.3 | Low | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -40.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E328 L329 S335 S336 | E328-A332 WeakPolarHBondContact O-CB 3.2Å; E328-A332 PolarHBondContact O-N 2.71Å; L329-A332 PolarHBondContact O-N 3.15Å; A332-S335 PolarHBondContact O-N 2.99Å; A332-S336 WeakPolarHBondContact O-CB 3.29Å; A332-S336 PolarHBondContact O-N 3.47Å; A332-S336 PolarHBondContact O-OG 2.9Å |
| 333 | L | 51.8 | Low | 57.4 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.6 | -34.7 | 176.6 | -173.9 | 62.2 | 0 | 0 | 0 | 112 | L329 S336 K337 | L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.41Å; L333-S336 WeakPolarHBondContact CA-OG 3.48Å; L333-S336 PolarHBondContact O-OG 3.27Å; L333-K337 HydrophobicContact CD1-CD 4.49Å; L333-K337 HydrophobicContact CD1-CG 4.42Å; L333-K337 HydrophobicContact CG-CD 4.18Å; L333-K337 VanDerWaalsContact O-CB 3.23Å; L333-K337 WeakPolarHBondContact O-CB 3.34Å; L333-K337 WeakPolarHBondContact O-CG 3.27Å; L333-K337 PolarHBondContact O-N 3.11Å |
| 334 | G | 51.2 | Low | 55.6 | Low | 47 Ų | 47 | 106.2 Ų | 106.2 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -41.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K330 | K330-G334 WeakPolarHBondContact O-CA 3.25Å; K330-G334 PolarHBondContact O-N 3.18Å |
| 335 | S | 56 | Low | 53.3 | Low | 82 Ų | 82 | 106.6 Ų | 106.6 | 57% | 0.573 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.3 | -48 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | S331 A332 S338 | S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.04Å; S331-S335 PolarHBondContact O-OG 2.92Å; A332-S335 PolarHBondContact O-N 2.99Å; S335-S338 WeakPolarHBondContact O-CB 3.22Å; S335-S338 PolarHBondContact O-N 3.31Å; S335-S338 PolarHBondContact O-OG 3.3Å |
| 336 | S | 48.1 | Very low | 51.1 | Low | 73 Ų | 73 | 107.2 Ų | 107.2 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77 | -18 | -178.5 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | A332 L333 S338 | A332-S336 WeakPolarHBondContact O-CB 3.29Å; A332-S336 PolarHBondContact O-N 3.47Å; A332-S336 PolarHBondContact O-OG 2.9Å; L333-S336 WeakPolarHBondContact CA-OG 3.48Å; L333-S336 PolarHBondContact O-OG 3.27Å; S336-S338 PolarHBondContact O-N 3.35Å |
| 337 | K | 40.1 | Very low | 49 | Very low | 157 Ų | 157 | 111 Ų | 111 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -5.3 | 168.6 | -82.7 | 174.6 | 176.6 | 177.9 | 0 | 114.3 | L333 | L333-K337 HydrophobicContact CD1-CD 4.49Å; L333-K337 HydrophobicContact CD1-CG 4.42Å; L333-K337 HydrophobicContact CG-CD 4.18Å; L333-K337 VanDerWaalsContact O-CB 3.23Å; L333-K337 WeakPolarHBondContact O-CB 3.34Å; L333-K337 WeakPolarHBondContact O-CG 3.27Å; L333-K337 PolarHBondContact O-N 3.11Å |
| 338 | S | 45.6 | Very low | 47 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -17.8 | 176.1 | 70.2 | 0 | 0 | 0 | 0 | 114.3 | S335 S336 | S335-S338 WeakPolarHBondContact O-CB 3.22Å; S335-S338 PolarHBondContact O-N 3.31Å; S335-S338 PolarHBondContact O-OG 3.3Å; S336-S338 PolarHBondContact O-N 3.35Å |
| 339 | E | 37.6 | Very low | 45.2 | Very low | 168 Ų | 168 | 118 Ų | 118 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -128.9 | 91.1 | 176.7 | -70.9 | -167.4 | 129.3 | 0 | 0 | 111.9 | ||
| 340 | V | 36.3 | Very low | 43.1 | Very low | 141 Ų | 141 | 118.9 Ų | 118.9 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | trans | -178.7 | 129.6 | 140.9 | 143.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 341 | N | 32.3 | Very low | 41.2 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -99.2 | 123.6 | -168.9 | -160.3 | 1.6 | 0 | 0 | 0 | 110.7 | T343 | N341-T343 PolarHBondContact O-N 3.24Š| ||
| 342 | P | 31.4 | Very low | 39.8 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -79.8 | 77.8 | -171.6 | 32.1 | -36.6 | 0 | 0 | 0 | 112.7 | ||||
| 343 | T | 34.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | -153.1 | 152.3 | 172.1 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | N341 | N341-T343 PolarHBondContact O-N 3.24Š| ||
| 344 | I | 37 | Very low | 37.8 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | 86.1 | 90.9 | -168.7 | -53.2 | 168.7 | 0 | 0 | 0 | 110.4 | ||||
| 345 | I | 31.8 | Very low | 37.7 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | 65 | 88.9 | 77.9 | -59.5 | 163.8 | 0 | 0 | 0 | 108.8 | |||||
| 346 | S | 31.9 | Very low | 37.4 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | 66.4 | 140.2 | 82.3 | 81.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 347 | D | 31.3 | Very low | 37.1 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 74.3 | 116.6 | 176.3 | -63.8 | -16.1 | 0 | 0 | 0 | 119.6 | ||||
| 348 | N | 32.8 | Very low | 37.7 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | 88 | 138.5 | 154.1 | -63.3 | -58.2 | 0 | 0 | 0 | 121.8 | ||||
| 349 | Q | 38.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 124 Ų | 124 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | 67.3 | 71.4 | 163.1 | -66.3 | -175.5 | -8.5 | 0 | 0 | 119.1 | ||||
| 350 | C | 26.8 | Very low | 40 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 92% | 0.919 | 69% | 0.685 | S | S | * | * | 23.7 | 113.4 | 123.9 | -167.7 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 351 | N | 31.4 | Very low | 41.4 | Very low | 127 Ų | 127 | 118 Ų | 118 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | trans | -138.3 | 127.8 | 171.5 | -163.1 | -2.3 | 0 | 0 | 0 | 109.4 | G353 L354 | N351-G353 PolarHBondContact O-N 2.77Å; N351-L354 PolarHBondContact O-N 2.89Å | ||
| 352 | P | 43.5 | Very low | 43.3 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -22.4 | -165.6 | -28.1 | 36.6 | 0 | 0 | 0 | 116.5 | L354 V355 | P352-L354 PolarHBondContact O-N 2.9Å; P352-V355 PolarHBondContact O-N 2.73Å |
| 353 | G | 40.4 | Very low | 45.2 | Very low | 45 Ų | 45 | 114.4 Ų | 114.4 | 46% | 0.464 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.4 | -24.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N351 L357 | N351-G353 PolarHBondContact O-N 2.77Å; G353-L357 PolarHBondContact O-N 3.43Å |
| 354 | L | 36.7 | Very low | 46.9 | Very low | 134 Ų | 134 | 113.8 Ų | 113.8 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.1 | -28.5 | -178.5 | -143.4 | 78.3 | 0 | 0 | 0 | 112.8 | N351 P352 L357 Q358 | N351-L354 PolarHBondContact O-N 2.89Å; P352-L354 PolarHBondContact O-N 2.9Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-Q358 PolarHBondContact O-N 3.41Å |
| 355 | V | 47.2 | Very low | 48.5 | Very low | 94 Ų | 94 | 109.7 Ų | 109.7 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.1 | -43.4 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 110 | P352 L357 Q358 T359 | P352-V355 PolarHBondContact O-N 2.73Å; V355-L357 VanDerWaalsContact C-N 3.27Å; V355-L357 PolarHBondContact O-N 3.33Å; V355-Q358 PolarHBondContact O-N 3.46Å; V355-Q358 VanDerWaalsContact O-N 3.14Å; V355-T359 PolarHBondContact O-N 3.41Å; V355-T359 PolarHBondContact O-OG1 3.34Å |
| 356 | N | 50.9 | Low | 50.6 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 65% | 0.647 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.3 | -33.3 | 176.2 | -72.6 | 11.8 | 0 | 0 | 0 | 112.6 | L360 | N356-L360 WeakPolarHBondContact O-CB 3.5Å; N356-L360 PolarHBondContact O-N 3.09Å |
| 357 | L | 40.8 | Very low | 52.6 | Low | 108 Ų | 108 | 107.5 Ų | 107.5 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.6 | -36.5 | 174.2 | -78.1 | 170.2 | 0 | 0 | 0 | 112.4 | G353 L354 V355 N361 | G353-L357 PolarHBondContact O-N 3.43Å; L354-L357 PolarHBondContact O-N 2.84Å; V355-L357 VanDerWaalsContact C-N 3.27Å; V355-L357 PolarHBondContact O-N 3.33Å; L357-N361 WeakPolarHBondContact O-CB 3.48Å; L357-N361 PolarHBondContact O-N 2.84Å |
| 358 | Q | 54.1 | Low | 54.5 | Low | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -50.9 | 172.9 | -167 | 66.7 | 53.9 | 0 | 0 | 110.5 | L354 V355 L360 N361 D362 | L354-Q358 PolarHBondContact O-N 3.41Å; V355-Q358 PolarHBondContact O-N 3.46Å; V355-Q358 VanDerWaalsContact O-N 3.14Å; Q358-L360 PolarHBondContact O-N 2.79Å; Q358-N361 PolarHBondContact O-N 3.49Å; Q358-N361 VanDerWaalsContact O-N 3.13Å; Q358-D362 PolarHBondContact NE2-OD1 2.89Å; Q358-D362 WeakPolarHBondContact O-CB 3.42Å; Q358-D362 PolarHBondContact O-N 3.44Å |
| 359 | T | 64.3 | Low | 56.6 | Low | 75 Ų | 75 | 103.1 Ų | 103.1 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -42.1 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | V355 N361 D362 E363 | V355-T359 PolarHBondContact O-N 3.41Å; V355-T359 PolarHBondContact O-OG1 3.34Å; T359-N361 VanDerWaalsContact C-N 3.32Å; T359-N361 PolarHBondContact O-N 2.67Å; T359-D362 PolarHBondContact O-N 3.16Å; T359-E363 VanDerWaalsContact O-CB 3.22Å; T359-E363 WeakPolarHBondContact O-CB 3.01Å; T359-E363 PolarHBondContact O-N 2.94Å |
| 360 | L | 66.6 | Low | 58.4 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 175.3 | -176.5 | 65.5 | 0 | 0 | 0 | 112.2 | N356 Q358 L364 | N356-L360 WeakPolarHBondContact O-CB 3.5Å; N356-L360 PolarHBondContact O-N 3.09Å; Q358-L360 PolarHBondContact O-N 2.79Å; L360-L364 HydrophobicContact CG-CD1 4.19Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.49Å; L360-L364 PolarHBondContact O-N 2.73Å |
| 361 | N | 66.5 | Low | 60.4 | Low | 87 Ų | 87 | 95.3 Ų | 95.3 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.3 | -41 | 175.6 | -178.2 | 90.6 | 0 | 0 | 0 | 111.9 | L357 Q358 T359 T365 | L357-N361 WeakPolarHBondContact O-CB 3.48Å; L357-N361 PolarHBondContact O-N 2.84Å; Q358-N361 PolarHBondContact O-N 3.49Å; Q358-N361 VanDerWaalsContact O-N 3.13Å; T359-N361 VanDerWaalsContact C-N 3.32Å; T359-N361 PolarHBondContact O-N 2.67Å; N361-T365 VanDerWaalsContact O-CB 3.29Å; N361-T365 WeakPolarHBondContact O-CB 3.28Å; N361-T365 PolarHBondContact O-N 2.77Å; N361-T365 PolarHBondContact O-OG1 2.92Å |
| 362 | D | 70.4 | Confident | 62.5 | Low | 76 Ų | 76 | 94.8 Ų | 94.8 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 177.5 | -58.3 | -17.6 | 0 | 0 | 0 | 110.7 | Q358 T359 T365 T366 | Q358-D362 PolarHBondContact NE2-OD1 2.89Å; Q358-D362 WeakPolarHBondContact O-CB 3.42Å; Q358-D362 PolarHBondContact O-N 3.44Å; T359-D362 PolarHBondContact O-N 3.16Å; D362-T365 PolarHBondContact O-N 3.49Å; D362-T366 WeakPolarHBondContact O-CB 3.5Å; D362-T366 PolarHBondContact O-N 3.47Å; D362-T366 PolarHBondContact O-OG1 3.33Å |
| 363 | E | 73.2 | Confident | 64.1 | Low | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.8 | -39.1 | 175.3 | -168.2 | 158.5 | -161.5 | 0 | 0 | 112.3 | T359 T365 T366 Q367 | T359-E363 VanDerWaalsContact O-CB 3.22Å; T359-E363 WeakPolarHBondContact O-CB 3.01Å; T359-E363 PolarHBondContact O-N 2.94Å; E363-T365 VanDerWaalsContact C-N 3.34Å; E363-T366 PolarHBondContact O-N 2.97Å; E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 3.45Å |
| 364 | L | 68.8 | Low | 65.8 | Low | 99 Ų | 99 | 98.5 Ų | 98.5 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 167.3 | -81.4 | 166.9 | 0 | 0 | 0 | 111.9 | L360 T366 Q367 L368 | L360-L364 HydrophobicContact CG-CD1 4.19Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.49Å; L360-L364 PolarHBondContact O-N 2.73Å; L364-T366 VanDerWaalsContact C-N 3.3Å; L364-T366 PolarHBondContact O-N 3.19Å; L364-Q367 PolarHBondContact O-N 3.48Å; L364-L368 VanDerWaalsContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CB 3.17Å; L364-L368 PolarHBondContact O-N 3.19Å |
| 365 | T | 71.1 | Confident | 67.3 | Low | 60 Ų | 60 | 96.3 Ų | 96.3 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | N361 D362 E363 L368 N369 | N361-T365 VanDerWaalsContact O-CB 3.29Å; N361-T365 WeakPolarHBondContact O-CB 3.28Å; N361-T365 PolarHBondContact O-N 2.77Å; N361-T365 PolarHBondContact O-OG1 2.92Å; D362-T365 PolarHBondContact O-N 3.49Å; E363-T365 VanDerWaalsContact C-N 3.34Å; T365-L368 PolarHBondContact O-N 2.72Å; T365-N369 WeakPolarHBondContact O-CB 3.5Å; T365-N369 VanDerWaalsContact O-CG 3.24Å; T365-N369 PolarHBondContact O-N 2.8Å; T365-N369 PolarHBondContact O-ND2 2.76Å |
| 366 | T | 76.6 | Confident | 68.5 | Low | 80 Ų | 80 | 95.7 Ų | 95.7 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -46.3 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | D362 E363 L364 L368 N369 E370 | D362-T366 WeakPolarHBondContact O-CB 3.5Å; D362-T366 PolarHBondContact O-N 3.47Å; D362-T366 PolarHBondContact O-OG1 3.33Å; E363-T366 PolarHBondContact O-N 2.97Å; L364-T366 VanDerWaalsContact C-N 3.3Å; L364-T366 PolarHBondContact O-N 3.19Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-L368 PolarHBondContact O-N 3.32Å; T366-N369 PolarHBondContact O-N 3.36Å; T366-E370 PolarHBondContact O-N 2.98Å |
| 367 | Q | 72.8 | Confident | 69.5 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 175 | -70.2 | -179.5 | 21.3 | 0 | 0 | 112.5 | E363 L364 S371 | E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 3.45Å; L364-Q367 PolarHBondContact O-N 3.48Å; Q367-S371 VanDerWaalsContact O-CB 3.28Å; Q367-S371 WeakPolarHBondContact O-CB 3.45Å; Q367-S371 PolarHBondContact O-N 2.85Å; Q367-S371 PolarHBondContact O-OG 2.76Å |
| 368 | L | 72.3 | Confident | 70.6 | Confident | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 174 | -173.3 | 69.2 | 0 | 0 | 0 | 111.4 | L364 T365 T366 S371 K372 | L364-L368 VanDerWaalsContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CB 3.17Å; L364-L368 PolarHBondContact O-N 3.19Å; T365-L368 PolarHBondContact O-N 2.72Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-L368 PolarHBondContact O-N 3.32Å; L368-S371 PolarHBondContact O-N 3.27Å; L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 PolarHBondContact O-N 3.41Å |
| 369 | N | 74.9 | Confident | 71.1 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 176.5 | -74 | -23.3 | 0 | 0 | 0 | 112.3 | T365 T366 S371 K372 L373 | T365-N369 WeakPolarHBondContact O-CB 3.5Å; T365-N369 VanDerWaalsContact O-CG 3.24Å; T365-N369 PolarHBondContact O-N 2.8Å; T365-N369 PolarHBondContact O-ND2 2.76Å; T366-N369 PolarHBondContact O-N 3.36Å; N369-S371 VanDerWaalsContact C-N 3.32Å; N369-S371 PolarHBondContact O-N 3.28Å; N369-K372 PolarHBondContact O-N 2.8Å; N369-L373 WeakPolarHBondContact O-CG 3.02Å; N369-L373 PolarHBondContact O-N 2.96Å |
| 370 | E | 76.7 | Confident | 71.5 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 170.5 | -87.6 | -160.6 | -157.5 | 0 | 0 | 112 | T366 L373 K374 | T366-E370 PolarHBondContact O-N 2.98Å; E370-L373 PolarHBondContact O-N 3.08Å; E370-K374 WeakPolarHBondContact O-CB 3.4Å; E370-K374 WeakPolarHBondContact O-CD 3.47Å; E370-K374 VanDerWaalsContact O-CG 3.23Å; E370-K374 WeakPolarHBondContact O-CG 3.25Å; E370-K374 PolarHBondContact O-N 3.39Å; E370-K374 IonicContact OE2-NZ 2.65Å; E370-K374 PolarHBondContact OE2-NZ 3.45Å |
| 371 | S | 68.6 | Low | 71.8 | Confident | 57 Ų | 57 | 92.5 Ų | 92.5 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | Q367 L368 N369 K374 I375 | Q367-S371 VanDerWaalsContact O-CB 3.28Å; Q367-S371 WeakPolarHBondContact O-CB 3.45Å; Q367-S371 PolarHBondContact O-N 2.85Å; Q367-S371 PolarHBondContact O-OG 2.76Å; L368-S371 PolarHBondContact O-N 3.27Å; N369-S371 VanDerWaalsContact C-N 3.32Å; N369-S371 PolarHBondContact O-N 3.28Å; S371-K374 PolarHBondContact O-N 3.49Å; S371-I375 VanDerWaalsContact O-CG1 3.31Å; S371-I375 WeakPolarHBondContact O-CG1 3.41Å; S371-I375 PolarHBondContact O-N 3.3Å |
| 372 | K | 76.7 | Confident | 71.4 | Confident | 115 Ų | 115 | 92.7 Ų | 92.7 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 174.8 | -169.9 | 171.4 | -172.3 | -88.4 | 0 | 112.2 | L368 N369 K374 I375 E376 | L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 PolarHBondContact O-N 3.41Å; N369-K372 PolarHBondContact O-N 2.8Å; K372-K374 VanDerWaalsContact C-N 3.32Å; K372-K374 PolarHBondContact O-N 3.07Å; K372-I375 PolarHBondContact O-N 3.31Å; K372-E376 IonicContact NZ-OE1 3.85Å; K372-E376 PolarHBondContact NZ-OE1 3.45Å; K372-E376 WeakPolarHBondContact O-CG 3.28Å; K372-E376 PolarHBondContact O-N 2.66Å |
| 373 | L | 76.7 | Confident | 71.5 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.3 | -34.2 | 174.3 | -75.1 | 168.2 | 0 | 0 | 0 | 112.4 | N369 E370 H377 | N369-L373 WeakPolarHBondContact O-CG 3.02Å; N369-L373 PolarHBondContact O-N 2.96Å; E370-L373 PolarHBondContact O-N 3.08Å; L373-H377 WeakPolarHBondContact O-CB 3.27Å; L373-H377 PolarHBondContact O-N 2.86Å |
| 374 | K | 76.3 | Confident | 71.3 | Confident | 111 Ų | 111 | 92.8 Ų | 92.8 | 48% | 0.483 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 171.7 | -71.3 | 160.1 | -165.9 | 161.2 | 0 | 111.3 | E370 S371 K372 L378 | E370-K374 WeakPolarHBondContact O-CB 3.4Å; E370-K374 WeakPolarHBondContact O-CD 3.47Å; E370-K374 VanDerWaalsContact O-CG 3.23Å; E370-K374 WeakPolarHBondContact O-CG 3.25Å; E370-K374 PolarHBondContact O-N 3.39Å; E370-K374 IonicContact OE2-NZ 2.65Å; E370-K374 PolarHBondContact OE2-NZ 3.45Å; S371-K374 PolarHBondContact O-N 3.49Å; K372-K374 VanDerWaalsContact C-N 3.32Å; K372-K374 PolarHBondContact O-N 3.07Å; K374-L378 WeakPolarHBondContact O-CB 3.47Å; K374-L378 WeakPolarHBondContact O-CD1 3.22Å; K374-L378 VanDerWaalsContact O-CG 3.23Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.3Å |
| 375 | I | 67.8 | Low | 70.5 | Confident | 88 Ų | 88 | 93.2 Ų | 93.2 | 45% | 0.451 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -51.8 | 173.7 | -69.8 | 163.3 | 0 | 0 | 0 | 110.8 | S371 K372 H377 L378 E379 | S371-I375 VanDerWaalsContact O-CG1 3.31Å; S371-I375 WeakPolarHBondContact O-CG1 3.41Å; S371-I375 PolarHBondContact O-N 3.3Å; K372-I375 PolarHBondContact O-N 3.31Å; I375-H377 PolarHBondContact O-N 3.32Å; I375-L378 CarbonylContact O-C 3.57Å; I375-L378 WeakPolarHBondContact O-CA 3.24Å; I375-L378 PolarHBondContact O-N 2.77Å; I375-E379 HydrophobicContact CG2-CG 4.14Å; I375-E379 WeakPolarHBondContact CG2-OE1 3.12Å; I375-E379 WeakPolarHBondContact O-CG 3.23Å; I375-E379 PolarHBondContact O-N 2.77Å |
| 376 | E | 71.4 | Confident | 70.3 | Confident | 81 Ų | 81 | 95 Ų | 95 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 178.3 | -73.1 | 173.3 | 180 | 0 | 0 | 112.2 | K372 S380 | K372-E376 IonicContact NZ-OE1 3.85Å; K372-E376 PolarHBondContact NZ-OE1 3.45Å; K372-E376 WeakPolarHBondContact O-CG 3.28Å; K372-E376 PolarHBondContact O-N 2.66Å; E376-S380 VanDerWaalsContact O-CB 3.29Å; E376-S380 WeakPolarHBondContact O-CB 3.21Å; E376-S380 PolarHBondContact O-N 2.9Å |
| 377 | H | 73.1 | Confident | 70.1 | Confident | 115 Ų | 115 | 96.5 Ų | 96.5 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.6 | -39.7 | 172.6 | -176.9 | 45.4 | 0 | 0 | 0 | 112.8 | L373 I375 S380 N381 | L373-H377 WeakPolarHBondContact O-CB 3.27Å; L373-H377 PolarHBondContact O-N 2.86Å; I375-H377 PolarHBondContact O-N 3.32Å; H377-S380 PolarHBondContact O-N 3.17Å; H377-N381 PolarHBondContact CE1-ND2 2.74Å; H377-N381 VanDerWaalsContact CE1-ND2 3.3Å; H377-N381 PolarHBondContact CE1-OD1 3.35Å; H377-N381 PolarHBondContact NE2-ND2 3.48Å; H377-N381 WeakPolarHBondContact O-CB 3.5Å; H377-N381 PolarHBondContact O-N 3.2Å; H377-N381 PolarHBondContact O-ND2 2.88Å |
| 378 | L | 62.6 | Low | 70 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 174.9 | -73.6 | 167 | 0 | 0 | 0 | 111.9 | K374 I375 N381 Q382 | K374-L378 WeakPolarHBondContact O-CB 3.47Å; K374-L378 WeakPolarHBondContact O-CD1 3.22Å; K374-L378 VanDerWaalsContact O-CG 3.23Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.3Å; I375-L378 CarbonylContact O-C 3.57Å; I375-L378 WeakPolarHBondContact O-CA 3.24Å; I375-L378 PolarHBondContact O-N 2.77Å; L378-N381 PolarHBondContact O-N 3.04Å; L378-Q382 WeakPolarHBondContact O-CG 3.36Å; L378-Q382 PolarHBondContact O-N 2.8Å |
| 379 | E | 65.6 | Low | 69.7 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 173.8 | -71.7 | 172.1 | 167.7 | 0 | 0 | 111.1 | I375 N381 Q382 I383 | I375-E379 HydrophobicContact CG2-CG 4.14Å; I375-E379 WeakPolarHBondContact CG2-OE1 3.12Å; I375-E379 WeakPolarHBondContact O-CG 3.23Å; I375-E379 PolarHBondContact O-N 2.77Å; E379-N381 PolarHBondContact O-N 2.97Å; E379-Q382 PolarHBondContact O-N 2.98Å; E379-I383 WeakPolarHBondContact O-CG1 2.87Å; E379-I383 PolarHBondContact O-N 2.91Å |
| 380 | S | 73.1 | Confident | 69.2 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.3 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | E376 H377 I383 E384 | E376-S380 VanDerWaalsContact O-CB 3.29Å; E376-S380 WeakPolarHBondContact O-CB 3.21Å; E376-S380 PolarHBondContact O-N 2.9Å; H377-S380 PolarHBondContact O-N 3.17Å; S380-I383 PolarHBondContact O-N 3.44Å; S380-E384 PolarHBondContact O-N 3.28Å |
| 381 | N | 72.5 | Confident | 69 | Low | 67 Ų | 67 | 95.9 Ų | 95.9 | 36% | 0.358 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 174.4 | -66.6 | -24.9 | 0 | 0 | 0 | 112.1 | H377 L378 E379 E384 Q385 | H377-N381 PolarHBondContact CE1-ND2 2.74Å; H377-N381 VanDerWaalsContact CE1-ND2 3.3Å; H377-N381 PolarHBondContact CE1-OD1 3.35Å; H377-N381 PolarHBondContact NE2-ND2 3.48Å; H377-N381 WeakPolarHBondContact O-CB 3.5Å; H377-N381 PolarHBondContact O-N 3.2Å; H377-N381 PolarHBondContact O-ND2 2.88Å; L378-N381 PolarHBondContact O-N 3.04Å; E379-N381 PolarHBondContact O-N 2.97Å; N381-E384 PolarHBondContact O-N 3.39Å; N381-Q385 WeakPolarHBondContact O-CB 3.39Å; N381-Q385 WeakPolarHBondContact O-CG 3.38Å; N381-Q385 PolarHBondContact O-N 3.15Å |
| 382 | Q | 58.8 | Low | 68.8 | Low | 91 Ų | 91 | 98.1 Ų | 98.1 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 173.8 | -76.7 | -177 | -46.2 | 0 | 0 | 112 | L378 E379 E384 Q385 L386 | L378-Q382 WeakPolarHBondContact O-CG 3.36Å; L378-Q382 PolarHBondContact O-N 2.8Å; E379-Q382 PolarHBondContact O-N 2.98Å; Q382-E384 VanDerWaalsContact C-N 3.32Å; Q382-E384 PolarHBondContact O-N 3.15Å; Q382-Q385 PolarHBondContact O-N 2.82Å; Q382-L386 WeakPolarHBondContact O-CG 3.17Å; Q382-L386 PolarHBondContact O-N 2.79Å |
| 383 | I | 71 | Confident | 68.4 | Low | 94 Ų | 94 | 98.5 Ų | 98.5 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 173.9 | -71.6 | 165.1 | 0 | 0 | 0 | 110.9 | E379 S380 L386 K387 | E379-I383 WeakPolarHBondContact O-CG1 2.87Å; E379-I383 PolarHBondContact O-N 2.91Å; S380-I383 PolarHBondContact O-N 3.44Å; I383-L386 PolarHBondContact O-N 3.43Å; I383-K387 WeakPolarHBondContact O-CG 3.21Å; I383-K387 PolarHBondContact O-N 2.93Å; I383-K387 VanDerWaalsContact O-N 3.14Å |
| 384 | E | 69.3 | Low | 68.1 | Low | 96 Ų | 96 | 97 Ų | 97 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70 | -34.3 | 176.2 | -155.2 | 69.5 | 178.8 | 0 | 0 | 112.5 | S380 N381 Q382 K387 Q388 | S380-E384 PolarHBondContact O-N 3.28Å; N381-E384 PolarHBondContact O-N 3.39Å; Q382-E384 VanDerWaalsContact C-N 3.32Å; Q382-E384 PolarHBondContact O-N 3.15Å; E384-K387 IonicContact OE2-NZ 2.69Å; E384-K387 PolarHBondContact OE2-NZ 3.43Å; E384-Q388 WeakPolarHBondContact O-CG 3.08Å; E384-Q388 PolarHBondContact O-N 3.4Å |
| 385 | Q | 52.8 | Low | 67.8 | Low | 108 Ų | 108 | 94.1 Ų | 94.1 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 172.3 | -75.8 | 175.8 | -22.1 | 0 | 0 | 112.6 | N381 Q382 Q388 I389 | N381-Q385 WeakPolarHBondContact O-CB 3.39Å; N381-Q385 WeakPolarHBondContact O-CG 3.38Å; N381-Q385 PolarHBondContact O-N 3.15Å; Q382-Q385 PolarHBondContact O-N 2.82Å; Q385-Q388 WeakPolarHBondContact O-CB 3.38Å; Q385-Q388 PolarHBondContact O-N 3.47Å; Q385-Q388 VanDerWaalsContact O-N 3.12Å; Q385-I389 WeakPolarHBondContact O-CG1 3.45Å; Q385-I389 PolarHBondContact O-N 2.76Å |
| 386 | L | 67.1 | Low | 67.9 | Low | 97 Ų | 97 | 95.2 Ų | 95.2 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.5 | -76 | 167.3 | 0 | 0 | 0 | 111.3 | Q382 I383 Q388 I389 D390 | Q382-L386 WeakPolarHBondContact O-CG 3.17Å; Q382-L386 PolarHBondContact O-N 2.79Å; I383-L386 PolarHBondContact O-N 3.43Å; L386-Q388 PolarHBondContact O-N 2.92Å; L386-I389 CarbonylContact O-C 3.58Å; L386-I389 WeakPolarHBondContact O-CA 3.3Å; L386-I389 WeakPolarHBondContact O-CB 3.21Å; L386-I389 PolarHBondContact O-N 3.48Å; L386-D390 VanDerWaalsContact O-CG 3.24Å; L386-D390 PolarHBondContact O-N 2.83Å |
| 387 | K | 71.9 | Confident | 67.8 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.8 | -32.6 | 173 | -66.4 | 170.6 | -161.2 | 161.2 | 0 | 113.5 | I383 E384 H391 | I383-K387 WeakPolarHBondContact O-CG 3.21Å; I383-K387 PolarHBondContact O-N 2.93Å; I383-K387 VanDerWaalsContact O-N 3.14Å; E384-K387 IonicContact OE2-NZ 2.69Å; E384-K387 PolarHBondContact OE2-NZ 3.43Å; K387-H391 WeakPolarHBondContact O-CB 3.35Å; K387-H391 PolarHBondContact O-N 2.83Å |
| 388 | Q | 69.9 | Low | 67.8 | Low | 118 Ų | 118 | 94.1 Ų | 94.1 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.7 | -35.1 | 175.8 | -70.9 | 173.9 | 17.2 | 0 | 0 | 111.3 | E384 Q385 L386 L392 | E384-Q388 WeakPolarHBondContact O-CG 3.08Å; E384-Q388 PolarHBondContact O-N 3.4Å; Q385-Q388 WeakPolarHBondContact O-CB 3.38Å; Q385-Q388 PolarHBondContact O-N 3.47Å; Q385-Q388 VanDerWaalsContact O-N 3.12Å; L386-Q388 PolarHBondContact O-N 2.92Å; Q388-L392 WeakPolarHBondContact O-CB 3.3Å; Q388-L392 VanDerWaalsContact O-CG 3.25Å; Q388-L392 WeakPolarHBondContact O-CG 3.5Å; Q388-L392 PolarHBondContact O-N 2.91Å |
| 389 | I | 66.4 | Low | 67.8 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.5 | -50.3 | 171.2 | -65.4 | 166.3 | 0 | 0 | 0 | 110.2 | Q385 L386 H391 L392 E393 | Q385-I389 WeakPolarHBondContact O-CG1 3.45Å; Q385-I389 PolarHBondContact O-N 2.76Å; L386-I389 CarbonylContact O-C 3.58Å; L386-I389 WeakPolarHBondContact O-CA 3.3Å; L386-I389 WeakPolarHBondContact O-CB 3.21Å; L386-I389 PolarHBondContact O-N 3.48Å; I389-H391 PolarHBondContact O-N 2.9Å; I389-L392 CarbonylContact O-C 3.5Å; I389-L392 PolarHBondContact O-N 3.33Å; I389-E393 HydrophobicContact CG2-CG 4.31Å; I389-E393 PolarHBondContact O-N 3.1Å |
| 390 | D | 65.1 | Low | 68 | Low | 97 Ų | 97 | 92.9 Ų | 92.9 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -53.7 | -40.2 | 175.9 | -60.3 | -23.2 | 0 | 0 | 0 | 111.7 | L386 S394 | L386-D390 VanDerWaalsContact O-CG 3.24Å; L386-D390 PolarHBondContact O-N 2.83Å; D390-S394 WeakPolarHBondContact O-CB 3.5Å; D390-S394 PolarHBondContact O-N 2.87Å |
| 391 | H | 72.6 | Confident | 67.8 | Low | 108 Ų | 108 | 93 Ų | 93 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 176.5 | -174.7 | 13.2 | 0 | 0 | 0 | 112.5 | K387 I389 S394 E395 | K387-H391 WeakPolarHBondContact O-CB 3.35Å; K387-H391 PolarHBondContact O-N 2.83Å; I389-H391 PolarHBondContact O-N 2.9Å; H391-S394 WeakPolarHBondContact O-CB 3.43Å; H391-S394 PolarHBondContact O-N 2.89Å; H391-E395 IonicContact CE1-OE1 2.6Å; H391-E395 PolarHBondContact O-N 2.77Å |
| 392 | L | 64.7 | Low | 67.5 | Low | 104 Ų | 104 | 92.1 Ų | 92.1 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 177.4 | -73.8 | 168.8 | 0 | 0 | 0 | 112.5 | Q388 I389 S394 E395 L396 | Q388-L392 WeakPolarHBondContact O-CB 3.3Å; Q388-L392 VanDerWaalsContact O-CG 3.25Å; Q388-L392 WeakPolarHBondContact O-CG 3.5Å; Q388-L392 PolarHBondContact O-N 2.91Å; I389-L392 CarbonylContact O-C 3.5Å; I389-L392 PolarHBondContact O-N 3.33Å; L392-S394 VanDerWaalsContact C-N 3.34Å; L392-E395 PolarHBondContact O-N 3.28Å; L392-L396 WeakPolarHBondContact O-CB 3.17Å; L392-L396 PolarHBondContact O-N 2.85Å |
| 393 | E | 67.1 | Low | 68 | Low | 123 Ų | 123 | 94.1 Ų | 94.1 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 171.4 | -71.2 | -171 | 177.8 | 0 | 0 | 111.1 | I389 L396 H397 | I389-E393 HydrophobicContact CG2-CG 4.31Å; I389-E393 PolarHBondContact O-N 3.1Å; E393-L396 PolarHBondContact O-N 3.42Å; E393-H397 WeakPolarHBondContact O-CB 3.14Å; E393-H397 PolarHBondContact O-N 2.76Å |
| 394 | S | 71.4 | Confident | 67.8 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 57% | 0.573 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.5 | -42.9 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | D390 H391 L392 H397 S398 | D390-S394 WeakPolarHBondContact O-CB 3.5Å; D390-S394 PolarHBondContact O-N 2.87Å; H391-S394 WeakPolarHBondContact O-CB 3.43Å; H391-S394 PolarHBondContact O-N 2.89Å; L392-S394 VanDerWaalsContact C-N 3.34Å; S394-H397 PolarHBondContact O-N 3.21Å; S394-S398 PolarHBondContact O-N 3.45Å; S394-S398 VanDerWaalsContact O-N 3.08Å |
| 395 | E | 69.8 | Low | 67.8 | Low | 50 Ų | 50 | 96.8 Ų | 96.8 | 23% | 0.234 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 172.3 | -68.4 | -154.7 | 146.7 | 0 | 0 | 111.6 | H391 L392 H397 S398 Y399 K539 | H391-E395 IonicContact CE1-OE1 2.6Å; H391-E395 PolarHBondContact O-N 2.77Å; L392-E395 PolarHBondContact O-N 3.28Å; E395-H397 PolarHBondContact O-N 2.83Å; E395-S398 WeakPolarHBondContact O-CB 3.37Å; E395-S398 PolarHBondContact O-N 3.5Å; E395-Y399 HydrophobicContact CB-CE2 4.32Å; E395-Y399 WeakPolarHBondContact O-CD2 3.25Å; E395-Y399 PolarHBondContact O-N 2.87Å; E395-K539 VanDerWaalsContact CD-NZ 3.29Å; E395-K539 IonicContact OE1-NZ 3.58Å; E395-K539 PolarHBondContact OE1-NZ 2.8Å; E395-K539 IonicContact OE2-NZ 2.69Å; E395-K539 PolarHBondContact OE2-NZ 3.47Å; E395-K539 VanDerWaalsContact OE2-NZ 3.16Å |
| 396 | L | 69.7 | Low | 68.7 | Low | 110 Ų | 110 | 95.5 Ų | 95.5 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.7 | -41.1 | 175 | -92.4 | 167 | 0 | 0 | 0 | 113 | L392 E393 S398 Y399 Q400 | L392-L396 WeakPolarHBondContact O-CB 3.17Å; L392-L396 PolarHBondContact O-N 2.85Å; E393-L396 PolarHBondContact O-N 3.42Å; L396-S398 VanDerWaalsContact C-N 3.34Å; L396-Y399 PolarHBondContact O-N 3.48Å; L396-Q400 PolarHBondContact O-N 3.41Å |
| 397 | H | 69.8 | Low | 68.9 | Low | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -35.2 | 177.8 | -162 | 50.9 | 0 | 0 | 0 | 111.6 | E393 S394 E395 Q400 N401 | E393-H397 WeakPolarHBondContact O-CB 3.14Å; E393-H397 PolarHBondContact O-N 2.76Å; S394-H397 PolarHBondContact O-N 3.21Å; E395-H397 PolarHBondContact O-N 2.83Å; H397-Q400 PolarHBondContact O-N 2.82Å; H397-N401 PolarHBondContact O-N 2.8Å |
| 398 | S | 72.7 | Confident | 68.7 | Low | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60 | -46 | 168.9 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | S394 E395 L396 Q400 N401 I402 | S394-S398 PolarHBondContact O-N 3.45Å; S394-S398 VanDerWaalsContact O-N 3.08Å; E395-S398 WeakPolarHBondContact O-CB 3.37Å; E395-S398 PolarHBondContact O-N 3.5Å; L396-S398 VanDerWaalsContact C-N 3.34Å; S398-Q400 PolarHBondContact O-N 2.75Å; S398-N401 PolarHBondContact O-N 2.78Å; S398-I402 WeakPolarHBondContact O-CG1 3.38Å; S398-I402 PolarHBondContact O-N 3.42Å |
| 399 | Y | 61.6 | Low | 68.8 | Low | 71 Ų | 71 | 94.6 Ų | 94.6 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 174.8 | -71.4 | -62.9 | 0 | 0 | 0 | 113.1 | E395 L396 I402 Q403 | E395-Y399 HydrophobicContact CB-CE2 4.32Å; E395-Y399 WeakPolarHBondContact O-CD2 3.25Å; E395-Y399 PolarHBondContact O-N 2.87Å; L396-Y399 PolarHBondContact O-N 3.48Å; Y399-I402 PolarHBondContact O-N 3.25Å; Y399-Q403 WeakPolarHBondContact O-CB 3.29Å; Y399-Q403 PolarHBondContact O-N 2.89Å |
| 400 | Q | 69.8 | Low | 69.2 | Low | 99 Ų | 99 | 96.5 Ų | 96.5 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -43 | 173.5 | -77.7 | -174.6 | -17.2 | 0 | 0 | 112.2 | L396 H397 S398 Q403 Q404 | L396-Q400 PolarHBondContact O-N 3.41Å; H397-Q400 PolarHBondContact O-N 2.82Å; S398-Q400 PolarHBondContact O-N 2.75Å; Q400-Q403 WeakPolarHBondContact O-CB 3.4Å; Q400-Q403 PolarHBondContact O-N 2.97Å; Q400-Q404 WeakPolarHBondContact O-CG 3.14Å; Q400-Q404 PolarHBondContact O-N 3.33Å |
| 401 | N | 70.6 | Confident | 69.5 | Low | 71 Ų | 71 | 96.3 Ų | 96.3 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.6 | -70.4 | -10.1 | 0 | 0 | 0 | 111.1 | H397 S398 Q403 Q404 E405 | H397-N401 PolarHBondContact O-N 2.8Å; S398-N401 PolarHBondContact O-N 2.78Å; N401-Q403 VanDerWaalsContact C-N 3.26Å; N401-Q403 PolarHBondContact O-N 3.35Å; N401-Q404 PolarHBondContact O-N 3.46Å; N401-Q404 VanDerWaalsContact O-N 3.14Å; N401-E405 WeakPolarHBondContact O-CG 3.45Å; N401-E405 PolarHBondContact O-N 3.24Å |
| 402 | I | 66 | Low | 69.5 | Low | 49 Ų | 49 | 97.9 Ų | 97.9 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -34.2 | 174.5 | -66.3 | 166 | 0 | 0 | 0 | 111.5 | S398 Y399 N406 | S398-I402 WeakPolarHBondContact O-CG1 3.38Å; S398-I402 PolarHBondContact O-N 3.42Å; Y399-I402 PolarHBondContact O-N 3.25Å; I402-N406 WeakPolarHBondContact O-CB 3.31Å; I402-N406 PolarHBondContact O-N 3.2Å; I402-N406 PolarHBondContact O-ND2 3.11Å |
| 403 | Q | 69.4 | Low | 69.5 | Low | 133 Ų | 133 | 99.9 Ų | 99.9 | 62% | 0.621 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 174.4 | -172 | 176.8 | 0.8 | 0 | 0 | 112.1 | Y399 Q400 N401 N406 E407 | Y399-Q403 WeakPolarHBondContact O-CB 3.29Å; Y399-Q403 PolarHBondContact O-N 2.89Å; Q400-Q403 WeakPolarHBondContact O-CB 3.4Å; Q400-Q403 PolarHBondContact O-N 2.97Å; N401-Q403 VanDerWaalsContact C-N 3.26Å; N401-Q403 PolarHBondContact O-N 3.35Å; Q403-N406 PolarHBondContact O-N 3.06Å; Q403-E407 PolarHBondContact O-N 2.85Å |
| 404 | Q | 65.5 | Low | 69.7 | Low | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 174.3 | -70.2 | -179.6 | 7.3 | 0 | 0 | 111.8 | Q400 N401 N406 E407 H408 | Q400-Q404 WeakPolarHBondContact O-CG 3.14Å; Q400-Q404 PolarHBondContact O-N 3.33Å; N401-Q404 PolarHBondContact O-N 3.46Å; N401-Q404 VanDerWaalsContact O-N 3.14Å; Q404-N406 VanDerWaalsContact C-N 3.31Å; Q404-N406 PolarHBondContact O-N 3.47Å; Q404-E407 PolarHBondContact O-N 3.03Å; Q404-H408 WeakPolarHBondContact O-CB 3.25Å; Q404-H408 PolarHBondContact O-CD2 2.86Å; Q404-H408 PolarHBondContact O-N 2.98Å |
| 405 | E | 70.3 | Confident | 69.6 | Low | 124 Ų | 124 | 98.9 Ų | 98.9 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.7 | -41.3 | 172.9 | -74 | -176.7 | 169.9 | 0 | 0 | 112 | N401 H408 L409 | N401-E405 WeakPolarHBondContact O-CG 3.45Å; N401-E405 PolarHBondContact O-N 3.24Å; E405-H408 PolarHBondContact O-N 3.34Å; E405-L409 WeakPolarHBondContact O-CB 3.23Å; E405-L409 PolarHBondContact O-N 3Å |
| 406 | N | 71.7 | Confident | 69.5 | Low | 80 Ų | 80 | 99.5 Ų | 99.5 | 43% | 0.428 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 177.6 | -88 | -79.2 | 0 | 0 | 0 | 113 | I402 Q403 Q404 L409 K410 | I402-N406 WeakPolarHBondContact O-CB 3.31Å; I402-N406 PolarHBondContact O-N 3.2Å; I402-N406 PolarHBondContact O-ND2 3.11Å; Q403-N406 PolarHBondContact O-N 3.06Å; Q404-N406 VanDerWaalsContact C-N 3.31Å; Q404-N406 PolarHBondContact O-N 3.47Å; N406-L409 PolarHBondContact O-N 3.08Å; N406-K410 VanDerWaalsContact O-CB 3.27Å; N406-K410 WeakPolarHBondContact O-CB 3.33Å; N406-K410 PolarHBondContact O-N 3.5Å |
| 407 | E | 70.6 | Confident | 69.4 | Low | 86 Ų | 86 | 99.7 Ų | 99.7 | 40% | 0.402 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.4 | -35.8 | 172.2 | -73.6 | -62.7 | 143.8 | 0 | 0 | 111.8 | Q403 Q404 K410 I411 | Q403-E407 PolarHBondContact O-N 2.85Å; Q404-E407 PolarHBondContact O-N 3.03Å; E407-K410 PolarHBondContact O-N 2.89Å; E407-K410 IonicContact OE1-NZ 3.39Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-K410 WeakPolarHBondContact OE2-CD 3.33Å; E407-K410 IonicContact OE2-NZ 3.1Å; E407-K410 PolarHBondContact OE2-NZ 3.04Å; E407-I411 WeakPolarHBondContact O-CB 3.28Å; E407-I411 VanDerWaalsContact O-CG1 3.26Å; E407-I411 WeakPolarHBondContact O-CG1 3.43Å; E407-I411 PolarHBondContact O-N 2.85Å |
| 408 | H | 67.6 | Low | 69.4 | Low | 138 Ų | 138 | 98.3 Ų | 98.3 | 64% | 0.639 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 170.3 | -97.1 | -91.6 | 0 | 0 | 0 | 112.5 | Q404 E405 I411 Y412 | Q404-H408 WeakPolarHBondContact O-CB 3.25Å; Q404-H408 PolarHBondContact O-CD2 2.86Å; Q404-H408 PolarHBondContact O-N 2.98Å; E405-H408 PolarHBondContact O-N 3.34Å; H408-I411 PolarHBondContact O-N 2.87Å; H408-Y412 VanDerWaalsContact O-CB 3.29Å; H408-Y412 WeakPolarHBondContact O-CB 3.42Å; H408-Y412 PolarHBondContact O-N 3.17Å |
| 409 | L | 71.6 | Confident | 69.1 | Low | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.4 | -92 | 154.8 | 0 | 0 | 0 | 111.8 | E405 N406 Y412 Y413 | E405-L409 WeakPolarHBondContact O-CB 3.23Å; E405-L409 PolarHBondContact O-N 3Å; N406-L409 PolarHBondContact O-N 3.08Å; L409-Y412 WeakPolarHBondContact O-CB 3.28Å; L409-Y412 PolarHBondContact O-N 3.18Å; L409-Y413 HydrophobicContact CD2-CD2 4.49Å; L409-Y413 HydrophobicContact CD2-CE2 3.88Å; L409-Y413 WeakPolarHBondContact O-CD2 3.2Å; L409-Y413 PolarHBondContact O-N 3.46Å |
| 410 | K | 74.9 | Confident | 69.1 | Low | 122 Ų | 122 | 102.8 Ų | 102.8 | 53% | 0.53 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 176.6 | -180 | 171.9 | 157.4 | -132.6 | 0 | 112 | N406 E407 Q414 | N406-K410 VanDerWaalsContact O-CB 3.27Å; N406-K410 WeakPolarHBondContact O-CB 3.33Å; N406-K410 PolarHBondContact O-N 3.5Å; E407-K410 PolarHBondContact O-N 2.89Å; E407-K410 IonicContact OE1-NZ 3.39Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-K410 WeakPolarHBondContact OE2-CD 3.33Å; E407-K410 IonicContact OE2-NZ 3.1Å; E407-K410 PolarHBondContact OE2-NZ 3.04Å; K410-Q414 WeakPolarHBondContact O-CB 3.22Å; K410-Q414 PolarHBondContact O-N 3.19Å |
| 411 | I | 73 | Confident | 68.8 | Low | 93 Ų | 93 | 103.1 Ų | 103.1 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 171.4 | -69.9 | 165.2 | 0 | 0 | 0 | 110.9 | E407 H408 Q414 N415 | E407-I411 WeakPolarHBondContact O-CB 3.28Å; E407-I411 VanDerWaalsContact O-CG1 3.26Å; E407-I411 WeakPolarHBondContact O-CG1 3.43Å; E407-I411 PolarHBondContact O-N 2.85Å; H408-I411 PolarHBondContact O-N 2.87Å; I411-Q414 PolarHBondContact O-N 3.5Å; I411-N415 WeakPolarHBondContact O-CB 3.22Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 2.86Å |
| 412 | Y | 71.1 | Confident | 68.3 | Low | 141 Ų | 141 | 106.3 Ų | 106.3 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -48.7 | 175.7 | 174.8 | -96.3 | 0 | 0 | 0 | 111.7 | H408 L409 N415 L416 | H408-Y412 VanDerWaalsContact O-CB 3.29Å; H408-Y412 WeakPolarHBondContact O-CB 3.42Å; H408-Y412 PolarHBondContact O-N 3.17Å; L409-Y412 WeakPolarHBondContact O-CB 3.28Å; L409-Y412 PolarHBondContact O-N 3.18Å; Y412-N415 PolarHBondContact O-N 2.72Å; Y412-L416 HydrophobicContact CE1-CD2 4.46Å; Y412-L416 WeakPolarHBondContact O-CB 3.44Å; Y412-L416 PolarHBondContact O-N 2.83Å |
| 413 | Y | 64.5 | Low | 67.7 | Low | 147 Ų | 147 | 110.9 Ų | 110.9 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 176.5 | -78.4 | -60.4 | 0 | 0 | 0 | 112.6 | L409 L416 F417 | L409-Y413 HydrophobicContact CD2-CD2 4.49Å; L409-Y413 HydrophobicContact CD2-CE2 3.88Å; L409-Y413 WeakPolarHBondContact O-CD2 3.2Å; L409-Y413 PolarHBondContact O-N 3.46Å; Y413-L416 HydrophobicContact CD1-CD2 4.44Å; Y413-L416 PolarHBondContact O-N 3Å; Y413-F417 VanDerWaalsContact O-CB 3.32Å; Y413-F417 WeakPolarHBondContact O-CB 3.37Å; Y413-F417 PolarHBondContact O-N 3.08Å |
| 414 | Q | 71.3 | Confident | 66.6 | Low | 103 Ų | 103 | 110.8 Ų | 110.8 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 173.6 | -173.6 | 61 | 62.2 | 0 | 0 | 111.6 | K410 I411 F417 N418 | K410-Q414 WeakPolarHBondContact O-CB 3.22Å; K410-Q414 PolarHBondContact O-N 3.19Å; I411-Q414 PolarHBondContact O-N 3.5Å; Q414-F417 PolarHBondContact O-N 2.64Å; Q414-N418 PolarHBondContact NE2-OD1 3.28Å; Q414-N418 WeakPolarHBondContact O-CB 3.42Å; Q414-N418 PolarHBondContact O-N 2.96Å; Q414-N418 PolarHBondContact O-ND2 2.95Å; Q414-N418 PolarHBondContact O-OD1 2.92Å |
| 415 | N | 69.1 | Low | 66 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 174.4 | -85.4 | -39.4 | 0 | 0 | 0 | 112.6 | I411 Y412 N418 Q419 | I411-N415 WeakPolarHBondContact O-CB 3.22Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 2.86Å; Y412-N415 PolarHBondContact O-N 2.72Å; N415-N418 PolarHBondContact O-N 2.63Å; N415-Q419 WeakPolarHBondContact O-CB 3.49Å; N415-Q419 VanDerWaalsContact O-CG 3.3Å; N415-Q419 WeakPolarHBondContact O-CG 3.45Å; N415-Q419 PolarHBondContact O-N 2.79Å |
| 416 | L | 68.9 | Low | 65 | Low | 63 Ų | 63 | 105.3 Ų | 105.3 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.2 | -172.3 | 66.8 | 0 | 0 | 0 | 111 | Y412 Y413 Q419 I420 | Y412-L416 HydrophobicContact CE1-CD2 4.46Å; Y412-L416 WeakPolarHBondContact O-CB 3.44Å; Y412-L416 PolarHBondContact O-N 2.83Å; Y413-L416 HydrophobicContact CD1-CD2 4.44Å; Y413-L416 PolarHBondContact O-N 3Å; L416-Q419 PolarHBondContact O-N 3.19Å; L416-I420 HydrophobicContact CG-CD1 4.1Å; L416-I420 WeakPolarHBondContact O-CB 3.26Å; L416-I420 VanDerWaalsContact O-CG1 3.28Å; L416-I420 WeakPolarHBondContact O-CG1 3.14Å; L416-I420 PolarHBondContact O-N 3.12Å |
| 417 | F | 68.4 | Low | 63.6 | Low | 114 Ų | 114 | 106.7 Ų | 106.7 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 173.1 | -174.7 | -90.9 | 0 | 0 | 0 | 111.5 | Y413 Q414 Q419 I420 H421 | Y413-F417 VanDerWaalsContact O-CB 3.32Å; Y413-F417 WeakPolarHBondContact O-CB 3.37Å; Y413-F417 PolarHBondContact O-N 3.08Å; Q414-F417 PolarHBondContact O-N 2.64Å; F417-Q419 VanDerWaalsContact C-N 3.34Å; F417-Q419 PolarHBondContact O-N 3.13Å; F417-I420 PolarHBondContact O-N 2.89Å; F417-H421 WeakPolarHBondContact O-CB 3.49Å; F417-H421 PolarHBondContact O-N 3.15Å |
| 418 | N | 69.6 | Low | 62.1 | Low | 80 Ų | 80 | 111.1 Ų | 111.1 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 176.1 | -68.1 | -11.9 | 0 | 0 | 0 | 111.8 | Q414 N415 H421 K422 | Q414-N418 PolarHBondContact NE2-OD1 3.28Å; Q414-N418 WeakPolarHBondContact O-CB 3.42Å; Q414-N418 PolarHBondContact O-N 2.96Å; Q414-N418 PolarHBondContact O-ND2 2.95Å; Q414-N418 PolarHBondContact O-OD1 2.92Å; N415-N418 PolarHBondContact O-N 2.63Å; N418-H421 PolarHBondContact O-N 3.14Å; N418-K422 WeakPolarHBondContact O-CB 3.4Å; N418-K422 PolarHBondContact O-N 2.77Å |
| 419 | Q | 66.5 | Low | 61.1 | Low | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 174.9 | -76.5 | 177.7 | 52.2 | 0 | 0 | 111.9 | N415 L416 F417 H421 K422 F423 | N415-Q419 WeakPolarHBondContact O-CB 3.49Å; N415-Q419 VanDerWaalsContact O-CG 3.3Å; N415-Q419 WeakPolarHBondContact O-CG 3.45Å; N415-Q419 PolarHBondContact O-N 2.79Å; L416-Q419 PolarHBondContact O-N 3.19Å; F417-Q419 VanDerWaalsContact C-N 3.34Å; F417-Q419 PolarHBondContact O-N 3.13Å; Q419-H421 VanDerWaalsContact C-N 3.32Å; Q419-H421 PolarHBondContact O-N 3.48Å; Q419-K422 PolarHBondContact O-N 3.48Å; Q419-F423 WeakPolarHBondContact O-CB 3.38Å; Q419-F423 PolarHBondContact O-N 3.31Å |
| 420 | I | 59.9 | Low | 59.5 | Low | 103 Ų | 103 | 112.3 Ų | 112.3 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.4 | -70.2 | 165.1 | 0 | 0 | 0 | 110.8 | L416 F417 K422 F423 K424 | L416-I420 HydrophobicContact CG-CD1 4.1Å; L416-I420 WeakPolarHBondContact O-CB 3.26Å; L416-I420 VanDerWaalsContact O-CG1 3.28Å; L416-I420 WeakPolarHBondContact O-CG1 3.14Å; L416-I420 PolarHBondContact O-N 3.12Å; F417-I420 PolarHBondContact O-N 2.89Å; I420-K422 VanDerWaalsContact C-N 3.33Å; I420-K422 PolarHBondContact O-N 3.31Å; I420-F423 PolarHBondContact O-N 3.47Å; I420-K424 VanDerWaalsContact O-CB 3.28Å; I420-K424 WeakPolarHBondContact O-CB 3.38Å; I420-K424 PolarHBondContact O-N 3.19Å |
| 421 | H | 64 | Low | 57.4 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 178.6 | -148 | -71.8 | 0 | 0 | 0 | 112.2 | F417 N418 Q419 S425 | F417-H421 WeakPolarHBondContact O-CB 3.49Å; F417-H421 PolarHBondContact O-N 3.15Å; N418-H421 PolarHBondContact O-N 3.14Å; Q419-H421 VanDerWaalsContact C-N 3.32Å; Q419-H421 PolarHBondContact O-N 3.48Å; H421-S425 PolarHBondContact O-N 3.37Å; H421-S425 VanDerWaalsContact O-N 3.16Å |
| 422 | K | 59.8 | Low | 55.6 | Low | 138 Ų | 138 | 115 Ų | 115 | 60% | 0.6 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.8 | -48.3 | 171 | -175 | 172.2 | -179.8 | 178.6 | 0 | 111.7 | N418 Q419 I420 K424 S425 D426 | N418-K422 WeakPolarHBondContact O-CB 3.4Å; N418-K422 PolarHBondContact O-N 2.77Å; Q419-K422 PolarHBondContact O-N 3.48Å; I420-K422 VanDerWaalsContact C-N 3.33Å; I420-K422 PolarHBondContact O-N 3.31Å; K422-K424 VanDerWaalsContact C-N 3.25Å; K422-K424 PolarHBondContact O-N 3.49Å; K422-S425 CarbonylContact O-C 3.54Å; K422-S425 WeakPolarHBondContact O-CA 3.16Å; K422-S425 VanDerWaalsContact O-CB 3.3Å; K422-S425 WeakPolarHBondContact O-CB 3.13Å; K422-S425 PolarHBondContact O-N 2.91Å; K422-D426 WeakPolarHBondContact CG-OD2 3.43Å; K422-D426 PolarHBondContact O-N 2.95Å |
| 423 | F | 53.4 | Low | 54.4 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.2 | -38.5 | 176.9 | -134.4 | -81.5 | 0 | 0 | 0 | 111.9 | Q419 I420 D426 I427 | Q419-F423 WeakPolarHBondContact O-CB 3.38Å; Q419-F423 PolarHBondContact O-N 3.31Å; I420-F423 PolarHBondContact O-N 3.47Å; F423-D426 PolarHBondContact O-N 3.46Å; F423-I427 HydrophobicContact CD1-CD1 3.76Å; F423-I427 HydrophobicContact CD1-CG1 4.2Å; F423-I427 HydrophobicContact CE1-CD1 4.18Å; F423-I427 WeakPolarHBondContact O-CB 3.3Å; F423-I427 VanDerWaalsContact O-CG1 3.29Å; F423-I427 WeakPolarHBondContact O-CG1 3.49Å; F423-I427 PolarHBondContact O-N 3.13Å |
| 424 | K | 46.1 | Very low | 53.5 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.9 | -40 | 172.8 | -175.9 | -179 | 178.1 | -174.5 | 0 | 112.4 | I420 K422 F428 | I420-K424 VanDerWaalsContact O-CB 3.28Å; I420-K424 WeakPolarHBondContact O-CB 3.38Å; I420-K424 PolarHBondContact O-N 3.19Å; K422-K424 VanDerWaalsContact C-N 3.25Å; K422-K424 PolarHBondContact O-N 3.49Å; K424-F428 PolarHBondContact O-N 2.92Å |
| 425 | S | 54.6 | Low | 51.8 | Low | 58 Ų | 58 | 119.1 Ų | 119.1 | 41% | 0.406 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.2 | -44.2 | 174.7 | -170.9 | 0 | 0 | 0 | 0 | 112 | H421 K422 F428 N429 | H421-S425 PolarHBondContact O-N 3.37Å; H421-S425 VanDerWaalsContact O-N 3.16Å; K422-S425 CarbonylContact O-C 3.54Å; K422-S425 WeakPolarHBondContact O-CA 3.16Å; K422-S425 VanDerWaalsContact O-CB 3.3Å; K422-S425 WeakPolarHBondContact O-CB 3.13Å; K422-S425 PolarHBondContact O-N 2.91Å; S425-F428 WeakPolarHBondContact O-CB 3.42Å; S425-F428 PolarHBondContact O-N 3.27Å; S425-F428 VanDerWaalsContact O-N 3.1Å; S425-N429 PolarHBondContact O-N 3.47Å; S425-N429 PolarHBondContact O-ND2 3.33Å |
| 426 | D | 47.4 | Very low | 50.4 | Low | 73 Ų | 73 | 121.8 Ų | 121.8 | 39% | 0.39 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.8 | -38.1 | -178.1 | -65.4 | -20 | 0 | 0 | 0 | 111.3 | K422 F423 F428 N429 L430 | K422-D426 WeakPolarHBondContact CG-OD2 3.43Å; K422-D426 PolarHBondContact O-N 2.95Å; F423-D426 PolarHBondContact O-N 3.46Å; D426-F428 VanDerWaalsContact C-N 3.33Å; D426-F428 PolarHBondContact O-N 2.75Å; D426-N429 PolarHBondContact O-N 3.49Å; D426-L430 WeakPolarHBondContact O-CG 3.48Å; D426-L430 PolarHBondContact O-N 3.14Å; D426-L430 VanDerWaalsContact O-N 3.09Å |
| 427 | I | 42.3 | Very low | 49.2 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 55% | 0.554 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.6 | -38.5 | 168.5 | -73.3 | 172.6 | 0 | 0 | 0 | 111.5 | F423 N429 L430 | F423-I427 HydrophobicContact CD1-CD1 3.76Å; F423-I427 HydrophobicContact CD1-CG1 4.2Å; F423-I427 HydrophobicContact CE1-CD1 4.18Å; F423-I427 WeakPolarHBondContact O-CB 3.3Å; F423-I427 VanDerWaalsContact O-CG1 3.29Å; F423-I427 WeakPolarHBondContact O-CG1 3.49Å; F423-I427 PolarHBondContact O-N 3.13Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.7Å; I427-L430 PolarHBondContact O-N 2.97Å |
| 428 | F | 39.3 | Very low | 47.7 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 79% | 0.789 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.8 | -28.7 | 177.5 | -126.3 | -93.3 | 0 | 0 | 0 | 113.2 | K424 S425 D426 | K424-F428 PolarHBondContact O-N 2.92Å; S425-F428 WeakPolarHBondContact O-CB 3.42Å; S425-F428 PolarHBondContact O-N 3.27Å; S425-F428 VanDerWaalsContact O-N 3.1Å; D426-F428 VanDerWaalsContact C-N 3.33Å; D426-F428 PolarHBondContact O-N 2.75Å |
| 429 | N | 47.6 | Very low | 45.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 57% | 0.572 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -86.2 | -15.7 | 177.9 | -72.2 | -49.9 | 0 | 0 | 0 | 113.8 | S425 D426 I427 N431 | S425-N429 PolarHBondContact O-N 3.47Å; S425-N429 PolarHBondContact O-ND2 3.33Å; D426-N429 PolarHBondContact O-N 3.49Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.7Å; N429-N431 VanDerWaalsContact C-N 3.26Å; N429-N431 PolarHBondContact O-N 2.93Å; N429-N431 PolarHBondContact O-ND2 3.28Å |
| 430 | L | 37.4 | Very low | 44.2 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -77 | 75.3 | 178.8 | -83 | 166.6 | 0 | 0 | 0 | 112.3 | D426 I427 N432 | D426-L430 WeakPolarHBondContact O-CG 3.48Å; D426-L430 PolarHBondContact O-N 3.14Å; D426-L430 VanDerWaalsContact O-N 3.09Å; I427-L430 PolarHBondContact O-N 2.97Å; L430-N432 PolarHBondContact O-N 3.35Å |
| 431 | N | 32.1 | Very low | 43.1 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -23.5 | 108.1 | 170.7 | -85.1 | -84.5 | 0 | 0 | 0 | 115.4 | N429 | N429-N431 VanDerWaalsContact C-N 3.26Å; N429-N431 PolarHBondContact O-N 2.93Å; N429-N431 PolarHBondContact O-ND2 3.28Å | ||
| 432 | N | 35.5 | Very low | 41.5 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | trans | -137.2 | 101.7 | 154.4 | -144.3 | -31.1 | 0 | 0 | 0 | 111.7 | L430 K434 L435 | L430-N432 PolarHBondContact O-N 3.35Å; N432-K434 PolarHBondContact O-N 3.4Å; N432-L435 PolarHBondContact O-N 2.82Å | ||
| 433 | K | 45.5 | Very low | 40.1 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 0.7 | -160.5 | -153.8 | 170.9 | -176.5 | 174.1 | 0 | 115.8 | ||
| 434 | K | 44.2 | Very low | 39 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 73% | 0.726 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -16.1 | -179.2 | -72.2 | -177.5 | 172.8 | -179.1 | 0 | 114.8 | N432 | N432-K434 PolarHBondContact O-N 3.4Š|
| 435 | L | 36 | Very low | 38.3 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -79.6 | -20.5 | 176 | -92.1 | 150.9 | 0 | 0 | 0 | 113 | N432 E437 L438 | N432-L435 PolarHBondContact O-N 2.82Å; L435-E437 VanDerWaalsContact C-N 3.26Å; L435-E437 PolarHBondContact O-N 3.34Å; L435-L438 PolarHBondContact O-N 2.83Å |
| 436 | I | 39.5 | Very low | 37.2 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 70% | 0.703 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -66.8 | -25.7 | -178.8 | -62.6 | 172 | 0 | 0 | 0 | 112.1 | L438 | I436-L438 VanDerWaalsContact C-N 3.32Å; I436-L438 PolarHBondContact O-N 3.05Å |
| 437 | E | 44.3 | Very low | 36.6 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -81.9 | -5.2 | -177.7 | -62.7 | -174.2 | 142.2 | 0 | 0 | 114 | L435 | L435-E437 VanDerWaalsContact C-N 3.26Å; L435-E437 PolarHBondContact O-N 3.34Å |
| 438 | L | 36.8 | Very low | 36.2 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -112.7 | 1.6 | -171.3 | -75 | 174.3 | 0 | 0 | 0 | 115.8 | L435 I436 | L435-L438 PolarHBondContact O-N 2.83Å; I436-L438 VanDerWaalsContact C-N 3.32Å; I436-L438 PolarHBondContact O-N 3.05Å |
| 439 | Y | 28.5 | Very low | 35.7 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | trans | -143.4 | 63.5 | -175.1 | -141.9 | -100.7 | 0 | 0 | 0 | 118.5 | F442 | Y439-F442 HydrophobicContact CE1-CB 4.17Å; Y439-F442 AromaticContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CG 4.4Å; Y439-F442 AromaticContact CZ-CD2 3.84Å; Y439-F442 VanDerWaalsContact OH-CD2 3.26Å; Y439-F442 WeakPolarHBondContact OH-CD2 3.39Å; Y439-F442 WeakPolarHBondContact OH-CE2 3.41Å | ||
| 440 | P | 33.4 | Very low | 34.9 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | trans | -77.8 | 125.9 | 151.8 | 32.4 | -28.8 | 0 | 0 | 0 | 110.2 | ||||
| 441 | I | 36.8 | Very low | 34.9 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 171.6 | -32 | 148.1 | -92.2 | 154.7 | 0 | 0 | 0 | 113.2 | ||
| 442 | F | 30.7 | Very low | 35.1 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 60% | 0.596 | 71% | 0.711 | S | S | * | * | trans | -104.8 | 44.2 | -166 | -82.2 | -83.2 | 0 | 0 | 0 | 116.2 | Y439 | Y439-F442 HydrophobicContact CE1-CB 4.17Å; Y439-F442 AromaticContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CG 4.4Å; Y439-F442 AromaticContact CZ-CD2 3.84Å; Y439-F442 VanDerWaalsContact OH-CD2 3.26Å; Y439-F442 WeakPolarHBondContact OH-CD2 3.39Å; Y439-F442 WeakPolarHBondContact OH-CE2 3.41Å | ||
| 443 | N | 30 | Very low | 35.6 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | trans | -101.2 | 7.9 | -173.2 | -154.1 | 74 | 0 | 0 | 0 | 116.4 | ||||
| 444 | D | 31.7 | Very low | 35.4 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -135.9 | 144.9 | 173.9 | -74.2 | -69.3 | 0 | 0 | 0 | 110.2 | ||
| 445 | S | 31.7 | Very low | 35.2 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | 62.8 | 87.3 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 446 | M | 29.9 | Very low | 35.8 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | trans | -136.8 | 17 | 170.4 | -107.7 | -62.5 | -173.1 | 0 | 0 | 116.4 | S448 L449 | M446-S448 VanDerWaalsContact C-N 3.26Å; M446-S448 PolarHBondContact O-N 2.76Å; M446-L449 HydrophobicContact SD-CB 4.11Å | ||
| 447 | N | 36.3 | Very low | 36.3 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 94% | 0.941 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -82.4 | 13 | 177.4 | -96.9 | 10.8 | 0 | 0 | 0 | 114.7 | ||
| 448 | S | 33.3 | Very low | 36.5 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -155.7 | 48.4 | -167.8 | 66.7 | 0 | 0 | 0 | 0 | 115 | M446 | M446-S448 VanDerWaalsContact C-N 3.26Å; M446-S448 PolarHBondContact O-N 2.76Å |
| 449 | L | 28.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 50% | 0.497 | 66% | 0.655 | S | S | . | * | trans | -150.3 | 41.8 | -176.2 | -119.6 | 156.2 | 0 | 0 | 0 | 117.1 | M446 N451 | M446-L449 HydrophobicContact SD-CB 4.11Å; L449-N451 HydrophobicContact CD2-CB 4Å; L449-N451 PolarHBondContact O-N 3.15Å | ||
| 450 | F | 30.9 | Very low | 39.2 | Very low | 218 Ų | 218 | 125.4 Ų | 125.4 | 96% | 0.956 | 65% | 0.648 | S | S | * | * | trans | -72.4 | 80.4 | 158.6 | -110.3 | -81.7 | 0 | 0 | 0 | 109.7 | ||||
| 451 | N | 37.4 | Very low | 40.2 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 48% | 0.481 | 64% | 0.641 | S | S | . | * | trans | -116.5 | 136.4 | 173.2 | -170.1 | 5.1 | 0 | 0 | 0 | 109.8 | L449 Q453 N454 | L449-N451 HydrophobicContact CD2-CB 4Å; L449-N451 PolarHBondContact O-N 3.15Å; N451-Q453 PolarHBondContact O-N 3.11Å; N451-Q453 VanDerWaalsContact O-N 3.12Å; N451-N454 PolarHBondContact O-N 2.8Å | ||
| 452 | I | 35.1 | Very low | 41.1 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 74% | 0.744 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -31.7 | -165.9 | -65.7 | 170.7 | 0 | 0 | 0 | 112.4 | N454 L455 | I452-N454 PolarHBondContact O-N 2.73Å; I452-L455 PolarHBondContact O-N 2.75Å; I452-L455 VanDerWaalsContact O-N 3.1Å |
| 453 | Q | 45.8 | Very low | 42.8 | Very low | 117 Ų | 117 | 120 Ų | 120 | 55% | 0.547 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -50.1 | -28.6 | 173.3 | -120.7 | 83.3 | 60.4 | 0 | 0 | 114.5 | N451 E456 N457 | N451-Q453 PolarHBondContact O-N 3.11Å; N451-Q453 VanDerWaalsContact O-N 3.12Å; Q453-E456 PolarHBondContact O-N 3.03Å; Q453-N457 PolarHBondContact O-N 2.92Å; Q453-N457 PolarHBondContact O-ND2 2.98Å |
| 454 | N | 43.2 | Very low | 44.5 | Very low | 69 Ų | 69 | 117.6 Ų | 117.6 | 37% | 0.369 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.9 | -17.1 | -176.5 | -76 | -24.8 | 0 | 0 | 0 | 113.9 | N451 I452 N457 F458 | N451-N454 PolarHBondContact O-N 2.8Å; I452-N454 PolarHBondContact O-N 2.73Å; N454-N457 PolarHBondContact OD1-ND2 3.41Å; N454-F458 PolarHBondContact O-N 3.36Å; N454-F458 VanDerWaalsContact O-N 3.11Å |
| 455 | L | 39.8 | Very low | 45.7 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 67% | 0.67 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -38 | 168.6 | -103.4 | 82.5 | 0 | 0 | 0 | 111.5 | I452 F458 K459 | I452-L455 PolarHBondContact O-N 2.75Å; I452-L455 VanDerWaalsContact O-N 3.1Å; L455-F458 PolarHBondContact O-N 3.42Å; L455-K459 WeakPolarHBondContact O-CB 3.42Å; L455-K459 PolarHBondContact O-N 3.13Å |
| 456 | E | 48.9 | Very low | 47.1 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 58% | 0.584 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.1 | -43.6 | 176.3 | -64.9 | -177.1 | 111.2 | 0 | 0 | 111 | Q453 F458 K459 L460 | Q453-E456 PolarHBondContact O-N 3.03Å; E456-F458 VanDerWaalsContact C-N 3.34Å; E456-F458 PolarHBondContact O-N 3.19Å; E456-K459 PolarHBondContact O-N 2.82Å; E456-L460 WeakPolarHBondContact O-CB 3.5Å; E456-L460 PolarHBondContact O-N 3.44Å |
| 457 | N | 48.8 | Very low | 49 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.1 | -38.9 | 175.4 | -70.4 | -36.8 | 0 | 0 | 0 | 112.6 | Q453 N454 F461 | Q453-N457 PolarHBondContact O-N 2.92Å; Q453-N457 PolarHBondContact O-ND2 2.98Å; N454-N457 PolarHBondContact OD1-ND2 3.41Å; N457-F461 PolarHBondContact O-N 2.84Å; N457-F461 VanDerWaalsContact O-N 3.11Å |
| 458 | F | 48.2 | Very low | 50.2 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -40.6 | 175.6 | -171.5 | -100.9 | 0 | 0 | 0 | 112.1 | N454 L455 E456 F461 I462 | N454-F458 PolarHBondContact O-N 3.36Å; N454-F458 VanDerWaalsContact O-N 3.11Å; L455-F458 PolarHBondContact O-N 3.42Å; E456-F458 VanDerWaalsContact C-N 3.34Å; E456-F458 PolarHBondContact O-N 3.19Å; F458-F461 WeakPolarHBondContact O-CB 3.18Å; F458-F461 PolarHBondContact O-N 2.86Å; F458-I462 HydrophobicContact CD1-CG1 4.39Å; F458-I462 HydrophobicContact CE1-CD1 4.43Å; F458-I462 HydrophobicContact CE1-CG1 4.1Å; F458-I462 HydrophobicContact CZ-CD1 4.4Å; F458-I462 HydrophobicContact CZ-CG1 4.47Å; F458-I462 WeakPolarHBondContact O-CG1 3.22Å; F458-I462 PolarHBondContact O-N 2.83Å; F458-I462 VanDerWaalsContact O-N 3.08Å |
| 459 | K | 56.6 | Low | 51 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 173.5 | -169.9 | -176.4 | -174.8 | -106.1 | 0 | 111.3 | L455 E456 F461 I462 E463 | L455-K459 WeakPolarHBondContact O-CB 3.42Å; L455-K459 PolarHBondContact O-N 3.13Å; E456-K459 PolarHBondContact O-N 2.82Å; K459-F461 VanDerWaalsContact C-N 3.29Å; K459-F461 PolarHBondContact O-N 2.8Å; K459-I462 PolarHBondContact O-N 2.76Å; K459-E463 VanDerWaalsContact CE-OE1 3.29Å; K459-E463 WeakPolarHBondContact CE-OE1 3.5Å; K459-E463 IonicContact NZ-OE1 3.96Å; K459-E463 PolarHBondContact NZ-OE1 2.81Å; K459-E463 WeakPolarHBondContact O-CG 3.27Å; K459-E463 PolarHBondContact O-N 3.48Å |
| 460 | L | 65.1 | Low | 52.4 | Low | 97 Ų | 97 | 112 Ų | 112 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 178.6 | -158.3 | 76.5 | 0 | 0 | 0 | 112.2 | E456 L464 | E456-L460 WeakPolarHBondContact O-CB 3.5Å; E456-L460 PolarHBondContact O-N 3.44Å; L460-L464 WeakPolarHBondContact O-CB 3.2Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.05Å; L460-L464 PolarHBondContact O-N 3.24Å |
| 461 | F | 54.9 | Low | 54.1 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 173.8 | 179.6 | -104.8 | 0 | 0 | 0 | 112.6 | N457 F458 K459 L464 L465 | N457-F461 PolarHBondContact O-N 2.84Å; N457-F461 VanDerWaalsContact O-N 3.11Å; F458-F461 WeakPolarHBondContact O-CB 3.18Å; F458-F461 PolarHBondContact O-N 2.86Å; K459-F461 VanDerWaalsContact C-N 3.29Å; K459-F461 PolarHBondContact O-N 2.8Å; F461-L464 PolarHBondContact O-N 3.26Å; F461-L465 HydrophobicContact CD1-CD1 3.99Å; F461-L465 HydrophobicContact CE1-CD1 3.51Å; F461-L465 HydrophobicContact CE2-CD1 4.39Å; F461-L465 HydrophobicContact CZ-CD1 3.75Å; F461-L465 PolarHBondContact O-N 2.84Å |
| 462 | I | 57.1 | Low | 54.8 | Low | 75 Ų | 75 | 104.7 Ų | 104.7 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 173 | -65.4 | -67.7 | 0 | 0 | 0 | 111.1 | F458 K459 L464 L465 L466 | F458-I462 HydrophobicContact CD1-CG1 4.39Å; F458-I462 HydrophobicContact CE1-CD1 4.43Å; F458-I462 HydrophobicContact CE1-CG1 4.1Å; F458-I462 HydrophobicContact CZ-CD1 4.4Å; F458-I462 HydrophobicContact CZ-CG1 4.47Å; F458-I462 WeakPolarHBondContact O-CG1 3.22Å; F458-I462 PolarHBondContact O-N 2.83Å; F458-I462 VanDerWaalsContact O-N 3.08Å; K459-I462 PolarHBondContact O-N 2.76Å; I462-L464 PolarHBondContact O-N 3.35Å; I462-L465 PolarHBondContact O-N 2.9Å; I462-L466 HydrophobicContact CG2-CD1 4.03Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.09Å |
| 463 | E | 65.4 | Low | 55.4 | Low | 84 Ų | 84 | 102.6 Ų | 102.6 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 176.9 | -73.8 | 173.4 | 177.5 | 0 | 0 | 111.9 | K459 L466 Y467 | K459-E463 VanDerWaalsContact CE-OE1 3.29Å; K459-E463 WeakPolarHBondContact CE-OE1 3.5Å; K459-E463 IonicContact NZ-OE1 3.96Å; K459-E463 PolarHBondContact NZ-OE1 2.81Å; K459-E463 WeakPolarHBondContact O-CG 3.27Å; K459-E463 PolarHBondContact O-N 3.48Å; E463-L466 PolarHBondContact O-N 2.81Å; E463-Y467 VanDerWaalsContact O-CB 3.3Å; E463-Y467 WeakPolarHBondContact O-CB 3.23Å; E463-Y467 PolarHBondContact O-N 2.71Å |
| 464 | L | 66.7 | Low | 55.7 | Low | 102 Ų | 102 | 103.6 Ų | 103.6 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 174.6 | -78.8 | 165.6 | 0 | 0 | 0 | 112.9 | L460 F461 I462 Y467 D468 | L460-L464 WeakPolarHBondContact O-CB 3.2Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.05Å; L460-L464 PolarHBondContact O-N 3.24Å; F461-L464 PolarHBondContact O-N 3.26Å; I462-L464 PolarHBondContact O-N 3.35Å; L464-Y467 PolarHBondContact O-N 3.05Å; L464-D468 PolarHBondContact O-N 3.46Å |
| 465 | L | 55.1 | Low | 55.9 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 175.1 | -82.9 | 168.1 | 0 | 0 | 0 | 112.2 | F461 I462 T469 | F461-L465 HydrophobicContact CD1-CD1 3.99Å; F461-L465 HydrophobicContact CE1-CD1 3.51Å; F461-L465 HydrophobicContact CE2-CD1 4.39Å; F461-L465 HydrophobicContact CZ-CD1 3.75Å; F461-L465 PolarHBondContact O-N 2.84Å; I462-L465 PolarHBondContact O-N 2.9Å; L465-T469 VanDerWaalsContact O-CB 3.31Å; L465-T469 WeakPolarHBondContact O-CB 3.18Å; L465-T469 PolarHBondContact O-N 2.82Å; L465-T469 VanDerWaalsContact O-N 3.11Å; L465-T469 PolarHBondContact O-OG1 2.94Å |
| 466 | L | 63 | Low | 56.1 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 172.9 | -77.9 | 166.3 | 0 | 0 | 0 | 111.4 | I462 E463 T469 L470 | I462-L466 HydrophobicContact CG2-CD1 4.03Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.09Å; E463-L466 PolarHBondContact O-N 2.81Å; L466-T469 PolarHBondContact O-N 3.22Å; L466-L470 WeakPolarHBondContact O-CB 3.33Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.24Å; L466-L470 PolarHBondContact O-N 2.69Å |
| 467 | Y | 67.8 | Low | 55.6 | Low | 156 Ų | 156 | 110 Ų | 110 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.8 | -52.4 | 179.6 | -176.4 | -95.9 | 0 | 0 | 0 | 112.6 | E463 L464 T469 L470 K471 | E463-Y467 VanDerWaalsContact O-CB 3.3Å; E463-Y467 WeakPolarHBondContact O-CB 3.23Å; E463-Y467 PolarHBondContact O-N 2.71Å; L464-Y467 PolarHBondContact O-N 3.05Å; Y467-T469 VanDerWaalsContact C-N 3.3Å; Y467-T469 PolarHBondContact O-N 3.49Å; Y467-L470 PolarHBondContact O-N 3.29Å; Y467-K471 HydrophobicContact CE1-CD 4.19Å; Y467-K471 WeakPolarHBondContact O-CB 3.12Å; Y467-K471 PolarHBondContact O-N 3.49Å |
| 468 | D | 63.3 | Low | 55 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -29.3 | 178.8 | -96.3 | -15.6 | 0 | 0 | 0 | 112.3 | L464 K471 T472 | L464-D468 PolarHBondContact O-N 3.46Å; D468-K471 IonicContact OD1-NZ 2.61Å; D468-T472 WeakPolarHBondContact O-CB 3.48Å; D468-T472 PolarHBondContact O-N 2.91Å; D468-T472 PolarHBondContact O-OG1 3.09Å |
| 469 | T | 50.1 | Low | 54.5 | Low | 79 Ų | 79 | 111.3 Ų | 111.3 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -49 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | L465 L466 Y467 K471 T472 I473 | L465-T469 VanDerWaalsContact O-CB 3.31Å; L465-T469 WeakPolarHBondContact O-CB 3.18Å; L465-T469 PolarHBondContact O-N 2.82Å; L465-T469 VanDerWaalsContact O-N 3.11Å; L465-T469 PolarHBondContact O-OG1 2.94Å; L466-T469 PolarHBondContact O-N 3.22Å; Y467-T469 VanDerWaalsContact C-N 3.3Å; Y467-T469 PolarHBondContact O-N 3.49Å; T469-K471 VanDerWaalsContact C-N 3.33Å; T469-K471 PolarHBondContact O-N 3.32Å; T469-T472 PolarHBondContact O-N 2.86Å; T469-I473 HydrophobicContact CG2-CD1 4.2Å; T469-I473 WeakPolarHBondContact O-CG1 3.41Å; T469-I473 PolarHBondContact O-N 3.28Å |
| 470 | L | 57.1 | Low | 53.3 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -38.5 | 176.8 | -74.6 | 167.7 | 0 | 0 | 0 | 112.1 | L466 Y467 I473 Q474 | L466-L470 WeakPolarHBondContact O-CB 3.33Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.24Å; L466-L470 PolarHBondContact O-N 2.69Å; Y467-L470 PolarHBondContact O-N 3.29Å; L470-I473 WeakPolarHBondContact O-CB 3.32Å; L470-I473 PolarHBondContact O-N 2.99Å; L470-Q474 PolarHBondContact O-N 3.3Å |
| 471 | K | 67.8 | Low | 52 | Low | 78 Ų | 78 | 113.1 Ų | 113.1 | 34% | 0.339 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.4 | -42.4 | 174.8 | 179.7 | -179.4 | 159.9 | -155.5 | 0 | 112 | Y467 D468 T469 I473 Q474 E475 | Y467-K471 HydrophobicContact CE1-CD 4.19Å; Y467-K471 WeakPolarHBondContact O-CB 3.12Å; Y467-K471 PolarHBondContact O-N 3.49Å; D468-K471 IonicContact OD1-NZ 2.61Å; T469-K471 VanDerWaalsContact C-N 3.33Å; T469-K471 PolarHBondContact O-N 3.32Å; K471-I473 VanDerWaalsContact C-N 3.28Å; K471-I473 PolarHBondContact O-N 3.37Å; K471-Q474 PolarHBondContact O-N 3.21Å; K471-Q474 VanDerWaalsContact O-N 3.1Å; K471-E475 WeakPolarHBondContact CE-OE1 3.31Å; K471-E475 WeakPolarHBondContact O-CG 3.39Å; K471-E475 PolarHBondContact O-N 3.44Å |
| 472 | T | 50.5 | Low | 51.4 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.5 | -39.4 | 173.5 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | D468 T469 E475 L476 | D468-T472 WeakPolarHBondContact O-CB 3.48Å; D468-T472 PolarHBondContact O-N 2.91Å; D468-T472 PolarHBondContact O-OG1 3.09Å; T469-T472 PolarHBondContact O-N 2.86Å; T472-E475 PolarHBondContact O-N 3.15Å; T472-L476 HydrophobicContact CG2-CD1 4.28Å; T472-L476 WeakPolarHBondContact O-CB 3.25Å; T472-L476 VanDerWaalsContact O-CG 3.31Å; T472-L476 WeakPolarHBondContact O-CG 3.11Å; T472-L476 PolarHBondContact O-N 3.18Å; T472-L476 VanDerWaalsContact O-N 3.08Å |
| 473 | I | 47.8 | Very low | 50.9 | Low | 102 Ų | 102 | 117 Ų | 117 | 52% | 0.523 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.2 | -35.4 | 174.5 | -68.1 | 164.4 | 0 | 0 | 0 | 111.8 | T469 L470 K471 | T469-I473 HydrophobicContact CG2-CD1 4.2Å; T469-I473 WeakPolarHBondContact O-CG1 3.41Å; T469-I473 PolarHBondContact O-N 3.28Å; L470-I473 WeakPolarHBondContact O-CB 3.32Å; L470-I473 PolarHBondContact O-N 2.99Å; K471-I473 VanDerWaalsContact C-N 3.28Å; K471-I473 PolarHBondContact O-N 3.37Å |
| 474 | Q | 51.8 | Low | 50.1 | Low | 138 Ų | 138 | 118.3 Ų | 118.3 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.3 | -42.6 | 173.8 | -76.3 | -176.3 | -21.3 | 0 | 0 | 112.8 | L470 K471 L476 K477 | L470-Q474 PolarHBondContact O-N 3.3Å; K471-Q474 PolarHBondContact O-N 3.21Å; K471-Q474 VanDerWaalsContact O-N 3.1Å; Q474-L476 VanDerWaalsContact C-N 3.31Å; Q474-L476 PolarHBondContact O-N 2.72Å; Q474-K477 VanDerWaalsContact O-CB 3.28Å; Q474-K477 WeakPolarHBondContact O-CB 3.21Å; Q474-K477 PolarHBondContact O-N 2.75Å |
| 475 | E | 49.2 | Very low | 49.4 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.2 | -32.8 | 179.6 | -72 | 178.3 | -168.2 | 0 | 0 | 111.9 | K471 T472 K477 | K471-E475 WeakPolarHBondContact CE-OE1 3.31Å; K471-E475 WeakPolarHBondContact O-CG 3.39Å; K471-E475 PolarHBondContact O-N 3.44Å; T472-E475 PolarHBondContact O-N 3.15Å; E475-K477 PolarHBondContact O-N 2.61Å |
| 476 | L | 42.4 | Very low | 49 | Very low | 145 Ų | 145 | 115.4 Ų | 115.4 | 76% | 0.759 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -11.7 | 171 | -72.1 | 170.3 | 0 | 0 | 0 | 114.2 | T472 Q474 | T472-L476 HydrophobicContact CG2-CD1 4.28Å; T472-L476 WeakPolarHBondContact O-CB 3.25Å; T472-L476 VanDerWaalsContact O-CG 3.31Å; T472-L476 WeakPolarHBondContact O-CG 3.11Å; T472-L476 PolarHBondContact O-N 3.18Å; T472-L476 VanDerWaalsContact O-N 3.08Å; Q474-L476 VanDerWaalsContact C-N 3.31Å; Q474-L476 PolarHBondContact O-N 2.72Å |
| 477 | K | 38.8 | Very low | 48.5 | Very low | 180 Ų | 180 | 114.3 Ų | 114.3 | 78% | 0.783 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 6.9 | -176 | -153.4 | 170.4 | -178.1 | 176.3 | 0 | 113.9 | Q474 E475 | Q474-K477 VanDerWaalsContact O-CB 3.28Å; Q474-K477 WeakPolarHBondContact O-CB 3.21Å; Q474-K477 PolarHBondContact O-N 2.75Å; E475-K477 PolarHBondContact O-N 2.61Å |
| 478 | C | 35.7 | Very low | 47.7 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 72% | 0.716 | 59% | 0.59 | S | S | * | * | trans | -128.4 | 68 | -169.5 | -74 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 479 | N | 37.6 | Very low | 47 | Very low | 153 Ų | 153 | 111.1 Ų | 111.1 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | trans | -152.2 | 169.6 | 159.3 | -136.6 | -30.6 | 0 | 0 | 0 | 112.7 | ||||
| 480 | C | 31.4 | Very low | 46.6 | Very low | 112 Ų | 112 | 111.3 Ų | 111.3 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | trans | 73.1 | 71.3 | 174.7 | -63 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 481 | N | 38.2 | Very low | 46.3 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 81% | 0.807 | 58% | 0.584 | S | S | * | * | trans | 20.4 | 98.9 | 130.6 | -53.1 | -22.9 | 0 | 0 | 0 | 120 | ||||
| 482 | D | 43.6 | Very low | 46 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | -156.7 | 136.7 | 103.4 | -160.7 | -8.9 | 0 | 0 | 0 | 108.5 | V486 | D482-V486 VanDerWaalsContact O-CB 3.24Å; D482-V486 WeakPolarHBondContact O-CB 3.26Å; D482-V486 WeakPolarHBondContact O-CG2 3.27Å | |||
| 483 | K | 45.4 | Very low | 45.8 | Very low | 162 Ų | 162 | 112.6 Ų | 112.6 | 70% | 0.704 | 59% | 0.592 | S | S | * | * | trans | -102.3 | -23.2 | -156.3 | -80 | -168.7 | 175.2 | -175.9 | 0 | 117.5 | I487 | K483-I487 WeakPolarHBondContact O-CB 2.83Å; K483-I487 VanDerWaalsContact O-CD1 3.22Å; K483-I487 WeakPolarHBondContact O-CD1 3.37Å; K483-I487 WeakPolarHBondContact O-CG1 3.5Å | ||
| 484 | Q | 49.1 | Very low | 45.6 | Very low | 113 Ų | 113 | 111.5 Ų | 111.5 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -101.1 | -49 | -174.3 | -167.7 | 61.3 | 32.8 | 0 | 0 | 113.2 | V486 I487 E488 | Q484-V486 VanDerWaalsContact C-N 3.27Å; Q484-V486 PolarHBondContact O-N 2.94Å; Q484-I487 PolarHBondContact O-N 3.45Å; Q484-E488 PolarHBondContact NE2-OE1 3.22Å; Q484-E488 PolarHBondContact O-N 2.73Å |
| 485 | S | 51.1 | Low | 45.7 | Very low | 68 Ų | 68 | 109.4 Ų | 109.4 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.8 | -38.8 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | E488 C489 | S485-E488 PolarHBondContact O-N 3.34Å; S485-C489 WeakPolarHBondContact O-CB 3.39Å; S485-C489 PolarHBondContact O-N 2.66Å |
| 486 | V | 46.4 | Very low | 45.7 | Very low | 64 Ų | 64 | 106.8 Ų | 106.8 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.6 | -29.8 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | D482 Q484 L490 | D482-V486 VanDerWaalsContact O-CB 3.24Å; D482-V486 WeakPolarHBondContact O-CB 3.26Å; D482-V486 WeakPolarHBondContact O-CG2 3.27Å; Q484-V486 VanDerWaalsContact C-N 3.27Å; Q484-V486 PolarHBondContact O-N 2.94Å; V486-L490 HydrophobicContact CG1-CD1 3.67Å; V486-L490 HydrophobicContact CG1-CG 3.89Å; V486-L490 WeakPolarHBondContact O-CA 3.43Å; V486-L490 WeakPolarHBondContact O-CB 3.15Å; V486-L490 WeakPolarHBondContact O-CG 3.34Å; V486-L490 PolarHBondContact O-N 2.86Å |
| 487 | I | 52.6 | Low | 45.7 | Very low | 79 Ų | 79 | 103.5 Ų | 103.5 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -41.7 | 171 | -82.2 | 175.1 | 0 | 0 | 0 | 111.3 | K483 Q484 L490 Q491 | K483-I487 WeakPolarHBondContact O-CB 2.83Å; K483-I487 VanDerWaalsContact O-CD1 3.22Å; K483-I487 WeakPolarHBondContact O-CD1 3.37Å; K483-I487 WeakPolarHBondContact O-CG1 3.5Å; Q484-I487 PolarHBondContact O-N 3.45Å; I487-L490 CarbonylContact O-C 3.54Å; I487-Q491 HydrophobicContact CG2-CG 4.36Å; I487-Q491 WeakPolarHBondContact O-CB 3.45Å; I487-Q491 WeakPolarHBondContact O-CG 3.49Å; I487-Q491 PolarHBondContact O-N 3.39Å |
| 488 | E | 52.6 | Low | 46.1 | Very low | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72 | -38.8 | 178.7 | -74.8 | 164.7 | -149.4 | 0 | 0 | 111.9 | Q484 S485 Q491 S492 | Q484-E488 PolarHBondContact NE2-OE1 3.22Å; Q484-E488 PolarHBondContact O-N 2.73Å; S485-E488 PolarHBondContact O-N 3.34Å; E488-Q491 PolarHBondContact O-N 3.45Å; E488-S492 PolarHBondContact O-N 2.96Å |
| 489 | C | 48.5 | Very low | 46.8 | Very low | 65 Ų | 65 | 97.8 Ų | 97.8 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 172 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | S485 Q491 S492 Q493 | S485-C489 WeakPolarHBondContact O-CB 3.39Å; S485-C489 PolarHBondContact O-N 2.66Å; C489-Q491 VanDerWaalsContact C-N 3.29Å; C489-Q491 PolarHBondContact O-N 3.26Å; C489-S492 PolarHBondContact O-N 3.41Å; C489-Q493 VanDerWaalsContact O-CB 3.31Å; C489-Q493 WeakPolarHBondContact O-CB 3.38Å; C489-Q493 WeakPolarHBondContact O-CG 3.19Å; C489-Q493 PolarHBondContact O-N 3.02Å |
| 490 | L | 41.2 | Very low | 47.4 | Very low | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -19.5 | 173.4 | -69.8 | 178.4 | 0 | 0 | 0 | 112.9 | V486 I487 L494 | V486-L490 HydrophobicContact CG1-CD1 3.67Å; V486-L490 HydrophobicContact CG1-CG 3.89Å; V486-L490 WeakPolarHBondContact O-CA 3.43Å; V486-L490 WeakPolarHBondContact O-CB 3.15Å; V486-L490 WeakPolarHBondContact O-CG 3.34Å; V486-L490 PolarHBondContact O-N 2.86Å; I487-L490 CarbonylContact O-C 3.54Å; L490-L494 WeakPolarHBondContact O-CA 3.23Å; L490-L494 WeakPolarHBondContact O-CB 3.44Å; L490-L494 WeakPolarHBondContact O-CD1 3.13Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.12Å |
| 491 | Q | 51 | Low | 48.1 | Very low | 113 Ų | 113 | 94 Ų | 94 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79.1 | -39.8 | 171.5 | -84.4 | 178.2 | -29.1 | 0 | 0 | 111.4 | I487 E488 C489 L494 T495 | I487-Q491 HydrophobicContact CG2-CG 4.36Å; I487-Q491 WeakPolarHBondContact O-CB 3.45Å; I487-Q491 WeakPolarHBondContact O-CG 3.49Å; I487-Q491 PolarHBondContact O-N 3.39Å; E488-Q491 PolarHBondContact O-N 3.45Å; C489-Q491 VanDerWaalsContact C-N 3.29Å; C489-Q491 PolarHBondContact O-N 3.26Å; Q491-L494 PolarHBondContact O-N 2.89Å; Q491-T495 WeakPolarHBondContact O-CB 3.5Å; Q491-T495 PolarHBondContact O-N 3.3Å; Q491-T495 PolarHBondContact O-OG1 2.88Å |
| 492 | S | 61.6 | Low | 48.7 | Very low | 76 Ų | 76 | 93.3 Ų | 93.3 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 171 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | E488 C489 T495 T496 | E488-S492 PolarHBondContact O-N 2.96Å; C489-S492 PolarHBondContact O-N 3.41Å; S492-T495 PolarHBondContact O-N 3.34Å; S492-T496 PolarHBondContact O-N 3.43Å; S492-T496 PolarHBondContact O-OG1 2.87Å |
| 493 | Q | 45.5 | Very low | 49.2 | Very low | 96 Ų | 96 | 93.3 Ų | 93.3 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 173 | -70.4 | -179.8 | -1.6 | 0 | 0 | 111.9 | C489 T496 I497 | C489-Q493 VanDerWaalsContact O-CB 3.31Å; C489-Q493 WeakPolarHBondContact O-CB 3.38Å; C489-Q493 WeakPolarHBondContact O-CG 3.19Å; C489-Q493 PolarHBondContact O-N 3.02Å; Q493-T496 CarbonylContact O-C 3.58Å; Q493-T496 PolarHBondContact O-N 3.09Å; Q493-I497 HydrophobicContact CB-CD1 4.25Å; Q493-I497 WeakPolarHBondContact O-CA 3.15Å; Q493-I497 WeakPolarHBondContact O-CB 3.37Å; Q493-I497 WeakPolarHBondContact O-CD1 3.35Å; Q493-I497 WeakPolarHBondContact O-CG1 3.47Å; Q493-I497 PolarHBondContact O-N 3.25Å |
| 494 | L | 43.7 | Very low | 49.5 | Very low | 79 Ų | 79 | 90.7 Ų | 90.7 | 41% | 0.414 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.2 | -30.4 | 173.1 | -82.5 | 164.1 | 0 | 0 | 0 | 112.3 | L490 Q491 T496 Q498 | L490-L494 WeakPolarHBondContact O-CA 3.23Å; L490-L494 WeakPolarHBondContact O-CB 3.44Å; L490-L494 WeakPolarHBondContact O-CD1 3.13Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.12Å; Q491-L494 PolarHBondContact O-N 2.89Å; L494-T496 VanDerWaalsContact C-N 3.34Å; L494-Q498 WeakPolarHBondContact O-CA 3.39Å; L494-Q498 WeakPolarHBondContact O-CB 3.17Å; L494-Q498 WeakPolarHBondContact O-CG 3.43Å; L494-Q498 PolarHBondContact O-N 2.98Å; L494-Q498 PolarHBondContact O-OE1 3.12Å |
| 495 | T | 53.2 | Low | 49.8 | Very low | 95 Ų | 95 | 91.3 Ų | 91.3 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.8 | -38.1 | 172.9 | -47.2 | 0 | 0 | 0 | 0 | 110.1 | Q491 S492 S499 | Q491-T495 WeakPolarHBondContact O-CB 3.5Å; Q491-T495 PolarHBondContact O-N 3.3Å; Q491-T495 PolarHBondContact O-OG1 2.88Å; S492-T495 PolarHBondContact O-N 3.34Å; T495-S499 PolarHBondContact O-N 2.8Å; T495-S499 PolarHBondContact O-OG 3.17Å |
| 496 | T | 49.6 | Very low | 50.1 | Low | 74 Ų | 74 | 94.6 Ų | 94.6 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.3 | -36.2 | 174.8 | -42.5 | 0 | 0 | 0 | 0 | 112.2 | S492 Q493 L494 S499 N500 | S492-T496 PolarHBondContact O-N 3.43Å; S492-T496 PolarHBondContact O-OG1 2.87Å; Q493-T496 CarbonylContact O-C 3.58Å; Q493-T496 PolarHBondContact O-N 3.09Å; L494-T496 VanDerWaalsContact C-N 3.34Å; T496-S499 WeakPolarHBondContact CA-OG 3.16Å; T496-S499 PolarHBondContact O-OG 2.73Å; T496-N500 VanDerWaalsContact O-CB 3.26Å; T496-N500 WeakPolarHBondContact O-CB 3.27Å; T496-N500 PolarHBondContact O-N 3.19Å; T496-N500 PolarHBondContact O-OD1 3Å |
| 497 | I | 43.5 | Very low | 50.4 | Low | 76 Ų | 76 | 97 Ų | 97 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -80.3 | -26.8 | 177.9 | -70.1 | 164.7 | 0 | 0 | 0 | 110.1 | Q493 N500 E501 | Q493-I497 HydrophobicContact CB-CD1 4.25Å; Q493-I497 WeakPolarHBondContact O-CA 3.15Å; Q493-I497 WeakPolarHBondContact O-CB 3.37Å; Q493-I497 WeakPolarHBondContact O-CD1 3.35Å; Q493-I497 WeakPolarHBondContact O-CG1 3.47Å; Q493-I497 PolarHBondContact O-N 3.25Å; I497-N500 CarbonylContact O-C 3.57Å; I497-N500 PolarHBondContact O-N 3.44Å; I497-E501 HydrophobicContact CG2-CG 4.03Å; I497-E501 WeakPolarHBondContact O-CA 3.33Å; I497-E501 WeakPolarHBondContact O-CB 3.25Å; I497-E501 WeakPolarHBondContact O-CG 3.45Å; I497-E501 PolarHBondContact O-N 3Å |
| 498 | Q | 45.9 | Very low | 50.7 | Low | 105 Ų | 105 | 98.5 Ų | 98.5 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -77.4 | -37.7 | 171.2 | -76.5 | 172.9 | -33.7 | 0 | 0 | 111.3 | L494 N500 E501 E502 | L494-Q498 WeakPolarHBondContact O-CA 3.39Å; L494-Q498 WeakPolarHBondContact O-CB 3.17Å; L494-Q498 WeakPolarHBondContact O-CG 3.43Å; L494-Q498 PolarHBondContact O-N 2.98Å; L494-Q498 PolarHBondContact O-OE1 3.12Å; Q498-N500 VanDerWaalsContact C-N 3.26Å; Q498-N500 PolarHBondContact O-N 3.46Å; Q498-E501 PolarHBondContact O-N 2.99Å; Q498-E502 WeakPolarHBondContact O-CB 3.41Å; Q498-E502 WeakPolarHBondContact O-CG 3.36Å; Q498-E502 PolarHBondContact O-N 3.27Å |
| 499 | S | 52.2 | Low | 51.4 | Low | 61 Ų | 61 | 98.1 Ų | 98.1 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 167.5 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | T495 T496 H503 | T495-S499 PolarHBondContact O-N 2.8Å; T495-S499 PolarHBondContact O-OG 3.17Å; T496-S499 WeakPolarHBondContact CA-OG 3.16Å; T496-S499 PolarHBondContact O-OG 2.73Å; S499-H503 VanDerWaalsContact O-CB 3.23Å; S499-H503 WeakPolarHBondContact O-CB 3.43Å; S499-H503 PolarHBondContact O-N 2.96Å |
| 500 | N | 48.3 | Very low | 52.3 | Low | 96 Ų | 96 | 100 Ų | 100 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.7 | -25.6 | 176.2 | -68 | 5.5 | 0 | 0 | 0 | 113.2 | T496 I497 Q498 Q504 | T496-N500 VanDerWaalsContact O-CB 3.26Å; T496-N500 WeakPolarHBondContact O-CB 3.27Å; T496-N500 PolarHBondContact O-N 3.19Å; T496-N500 PolarHBondContact O-OD1 3Å; I497-N500 CarbonylContact O-C 3.57Å; I497-N500 PolarHBondContact O-N 3.44Å; Q498-N500 VanDerWaalsContact C-N 3.26Å; Q498-N500 PolarHBondContact O-N 3.46Å; N500-Q504 WeakPolarHBondContact O-CA 3.29Å; N500-Q504 WeakPolarHBondContact O-CB 3.39Å; N500-Q504 PolarHBondContact O-N 3.43Å |
| 501 | E | 46.1 | Very low | 53.3 | Low | 90 Ų | 90 | 101.3 Ų | 101.3 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.6 | -33.4 | 173.7 | -83.5 | 175.3 | 161.9 | 0 | 0 | 110.1 | I497 Q498 Q505 | I497-E501 HydrophobicContact CG2-CG 4.03Å; I497-E501 WeakPolarHBondContact O-CA 3.33Å; I497-E501 WeakPolarHBondContact O-CB 3.25Å; I497-E501 WeakPolarHBondContact O-CG 3.45Å; I497-E501 PolarHBondContact O-N 3Å; Q498-E501 PolarHBondContact O-N 2.99Å; E501-Q505 WeakPolarHBondContact O-CA 3.41Å; E501-Q505 WeakPolarHBondContact O-CB 3.37Å; E501-Q505 WeakPolarHBondContact O-CG 3.47Å; E501-Q505 PolarHBondContact O-N 2.93Å |
| 502 | E | 52 | Low | 54.2 | Low | 136 Ų | 136 | 99 Ų | 99 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 167.4 | -74.9 | -175 | 165.5 | 0 | 0 | 110.5 | Q498 Q506 | Q498-E502 WeakPolarHBondContact O-CB 3.41Å; Q498-E502 WeakPolarHBondContact O-CG 3.36Å; Q498-E502 PolarHBondContact O-N 3.27Å; E502-Q506 VanDerWaalsContact O-CB 3.31Å; E502-Q506 WeakPolarHBondContact O-CB 3.45Å; E502-Q506 VanDerWaalsContact O-CG 3.32Å; E502-Q506 WeakPolarHBondContact O-CG 3.28Å; E502-Q506 PolarHBondContact O-N 3.34Å |
| 503 | H | 54.4 | Low | 54.6 | Low | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.4 | -31.5 | 175.5 | -155.7 | -52.6 | 0 | 0 | 0 | 112.7 | S499 Q506 E507 | S499-H503 VanDerWaalsContact O-CB 3.23Å; S499-H503 WeakPolarHBondContact O-CB 3.43Å; S499-H503 PolarHBondContact O-N 2.96Å; H503-Q506 PolarHBondContact O-N 3.5Å; H503-E507 WeakPolarHBondContact O-CG 3.39Å; H503-E507 PolarHBondContact O-N 2.96Å |
| 504 | Q | 50.5 | Low | 55.6 | Low | 108 Ų | 108 | 98.9 Ų | 98.9 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -85.2 | -23.2 | 176.3 | -175.2 | 167.1 | 73.1 | 0 | 0 | 112.1 | N500 Q508 | N500-Q504 WeakPolarHBondContact O-CA 3.29Å; N500-Q504 WeakPolarHBondContact O-CB 3.39Å; N500-Q504 PolarHBondContact O-N 3.43Å; Q504-Q508 WeakPolarHBondContact O-CB 3.38Å; Q504-Q508 WeakPolarHBondContact O-CG 3.32Å; Q504-Q508 PolarHBondContact O-N 2.91Å |
| 505 | Q | 56.1 | Low | 56.7 | Low | 125 Ų | 125 | 99.8 Ų | 99.8 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -76.1 | -31.9 | 162.4 | -76.4 | 176.4 | 22.5 | 0 | 0 | 110.8 | E501 Q509 | E501-Q505 WeakPolarHBondContact O-CA 3.41Å; E501-Q505 WeakPolarHBondContact O-CB 3.37Å; E501-Q505 WeakPolarHBondContact O-CG 3.47Å; E501-Q505 PolarHBondContact O-N 2.93Å; Q505-Q509 WeakPolarHBondContact O-CA 3.44Å; Q505-Q509 WeakPolarHBondContact O-CB 3.48Å; Q505-Q509 PolarHBondContact O-N 3.45Å |
| 506 | Q | 57.4 | Low | 57.5 | Low | 138 Ų | 138 | 98.6 Ų | 98.6 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.8 | -37.9 | 168.3 | -79.9 | -175.2 | -5.6 | 0 | 0 | 111.7 | E502 H503 L510 | E502-Q506 VanDerWaalsContact O-CB 3.31Å; E502-Q506 WeakPolarHBondContact O-CB 3.45Å; E502-Q506 VanDerWaalsContact O-CG 3.32Å; E502-Q506 WeakPolarHBondContact O-CG 3.28Å; E502-Q506 PolarHBondContact O-N 3.34Å; H503-Q506 PolarHBondContact O-N 3.5Å; Q506-L510 WeakPolarHBondContact O-CB 3.14Å; Q506-L510 PolarHBondContact O-N 2.7Å |
| 507 | E | 53 | Low | 58.7 | Low | 113 Ų | 113 | 100.8 Ų | 100.8 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 169.7 | -76.9 | -175.2 | 133.5 | 0 | 0 | 111.9 | H503 L510 L511 | H503-E507 WeakPolarHBondContact O-CG 3.39Å; H503-E507 PolarHBondContact O-N 2.96Å; E507-L510 PolarHBondContact O-N 3.25Å; E507-L511 WeakPolarHBondContact O-CA 3.3Å; E507-L511 WeakPolarHBondContact O-CB 3.28Å; E507-L511 PolarHBondContact O-N 3.42Å |
| 508 | Q | 57.4 | Low | 59.9 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -33.3 | 174.9 | -78.5 | 175.9 | 11.1 | 0 | 0 | 112.2 | Q504 T512 | Q504-Q508 WeakPolarHBondContact O-CB 3.38Å; Q504-Q508 WeakPolarHBondContact O-CG 3.32Å; Q504-Q508 PolarHBondContact O-N 2.91Å; Q508-T512 WeakPolarHBondContact O-CA 3.39Å; Q508-T512 WeakPolarHBondContact O-CB 3.35Å; Q508-T512 PolarHBondContact O-N 2.74Å; Q508-T512 PolarHBondContact O-OG1 3.38Å |
| 509 | Q | 67.8 | Low | 61 | Low | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.5 | -43.8 | 173.8 | -172.1 | 68.6 | 59.8 | 0 | 0 | 110 | Q505 L511 T512 D513 | Q505-Q509 WeakPolarHBondContact O-CA 3.44Å; Q505-Q509 WeakPolarHBondContact O-CB 3.48Å; Q505-Q509 PolarHBondContact O-N 3.45Å; Q509-L511 VanDerWaalsContact C-N 3.35Å; Q509-L511 PolarHBondContact O-N 3.44Å; Q509-T512 CarbonylContact O-C 3.58Å; Q509-T512 PolarHBondContact O-N 3.27Å; Q509-D513 PolarHBondContact NE2-OD1 3.44Å; Q509-D513 VanDerWaalsContact O-CB 3.22Å; Q509-D513 WeakPolarHBondContact O-CB 3.27Å; Q509-D513 PolarHBondContact O-N 3.46Å |
| 510 | L | 68.3 | Low | 61.9 | Low | 105 Ų | 105 | 103.8 Ų | 103.8 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.8 | -173.2 | 71 | 0 | 0 | 0 | 111.6 | Q506 E507 D513 Q514 | Q506-L510 WeakPolarHBondContact O-CB 3.14Å; Q506-L510 PolarHBondContact O-N 2.7Å; E507-L510 PolarHBondContact O-N 3.25Å; L510-D513 PolarHBondContact O-N 2.88Å; L510-Q514 VanDerWaalsContact O-CB 3.25Å; L510-Q514 WeakPolarHBondContact O-CB 3.43Å; L510-Q514 VanDerWaalsContact O-CG 3.24Å; L510-Q514 WeakPolarHBondContact O-CG 3.05Å; L510-Q514 PolarHBondContact O-N 3.15Å |
| 511 | L | 62.6 | Low | 62.9 | Low | 111 Ų | 111 | 103.2 Ų | 103.2 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.4 | -35.3 | 174.5 | -169.8 | 73.5 | 0 | 0 | 0 | 111 | E507 Q509 L515 | E507-L511 WeakPolarHBondContact O-CA 3.3Å; E507-L511 WeakPolarHBondContact O-CB 3.28Å; E507-L511 PolarHBondContact O-N 3.42Å; Q509-L511 VanDerWaalsContact C-N 3.35Å; Q509-L511 PolarHBondContact O-N 3.44Å; L511-L515 WeakPolarHBondContact O-CB 3.48Å; L511-L515 PolarHBondContact O-N 3.44Å |
| 512 | T | 68.7 | Low | 63.6 | Low | 64 Ų | 64 | 104.6 Ų | 104.6 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.8 | -35.5 | 172.9 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | Q508 Q509 L515 N516 | Q508-T512 WeakPolarHBondContact O-CA 3.39Å; Q508-T512 WeakPolarHBondContact O-CB 3.35Å; Q508-T512 PolarHBondContact O-N 2.74Å; Q508-T512 PolarHBondContact O-OG1 3.38Å; Q509-T512 CarbonylContact O-C 3.58Å; Q509-T512 PolarHBondContact O-N 3.27Å; T512-L515 PolarHBondContact O-N 3.26Å; T512-N516 WeakPolarHBondContact O-CB 3.42Å; T512-N516 PolarHBondContact O-N 3.17Å; T512-N516 PolarHBondContact O-ND2 3.3Å; T512-N516 VanDerWaalsContact O-ND2 3.07Å |
| 513 | D | 70.6 | Confident | 64.5 | Low | 75 Ų | 75 | 103.9 Ų | 103.9 | 40% | 0.401 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.2 | -34.9 | 177.3 | -67.5 | -13.9 | 0 | 0 | 0 | 110.4 | Q509 L510 Q517 | Q509-D513 PolarHBondContact NE2-OD1 3.44Å; Q509-D513 VanDerWaalsContact O-CB 3.22Å; Q509-D513 WeakPolarHBondContact O-CB 3.27Å; Q509-D513 PolarHBondContact O-N 3.46Å; L510-D513 PolarHBondContact O-N 2.88Å; D513-Q517 WeakPolarHBondContact O-CB 3.41Å; D513-Q517 PolarHBondContact O-N 3.44Å |
| 514 | Q | 66.1 | Low | 65.3 | Low | 95 Ų | 95 | 103 Ų | 103 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 166.3 | -79.2 | 178.8 | -12.8 | 0 | 0 | 111.9 | L510 Q517 Q518 | L510-Q514 VanDerWaalsContact O-CB 3.25Å; L510-Q514 WeakPolarHBondContact O-CB 3.43Å; L510-Q514 VanDerWaalsContact O-CG 3.24Å; L510-Q514 WeakPolarHBondContact O-CG 3.05Å; L510-Q514 PolarHBondContact O-N 3.15Å; Q514-Q517 PolarHBondContact O-N 3.42Å; Q514-Q518 WeakPolarHBondContact O-CB 3.44Å; Q514-Q518 WeakPolarHBondContact O-CG 3.15Å; Q514-Q518 PolarHBondContact O-N 2.76Å |
| 515 | L | 68.1 | Low | 65.9 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 175.9 | -159 | 81.6 | 0 | 0 | 0 | 110.4 | L511 T512 Q518 I519 | L511-L515 WeakPolarHBondContact O-CB 3.48Å; L511-L515 PolarHBondContact O-N 3.44Å; T512-L515 PolarHBondContact O-N 3.26Å; L515-Q518 PolarHBondContact O-N 3.28Å; L515-I519 HydrophobicContact CD2-CD1 4.18Å; L515-I519 HydrophobicContact CG-CD1 4.02Å; L515-I519 VanDerWaalsContact O-CB 3.23Å; L515-I519 WeakPolarHBondContact O-CB 3.5Å; L515-I519 WeakPolarHBondContact O-CD1 3.48Å; L515-I519 WeakPolarHBondContact O-CG1 3.28Å; L515-I519 PolarHBondContact O-N 2.67Å |
| 516 | N | 69.4 | Low | 66 | Low | 71 Ų | 71 | 103.2 Ų | 103.2 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 172.4 | -74.3 | -31.2 | 0 | 0 | 0 | 111.3 | T512 N520 | T512-N516 WeakPolarHBondContact O-CB 3.42Å; T512-N516 PolarHBondContact O-N 3.17Å; T512-N516 PolarHBondContact O-ND2 3.3Å; T512-N516 VanDerWaalsContact O-ND2 3.07Å; N516-N520 WeakPolarHBondContact O-CB 3.43Å; N516-N520 PolarHBondContact O-N 3.41Å; N516-N520 PolarHBondContact O-ND2 2.82Å |
| 517 | Q | 74.5 | Confident | 66.6 | Low | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.8 | -39.3 | 173.9 | -171.6 | 174.1 | 14 | 0 | 0 | 111.1 | D513 Q514 N520 N521 | D513-Q517 WeakPolarHBondContact O-CB 3.41Å; D513-Q517 PolarHBondContact O-N 3.44Å; Q514-Q517 PolarHBondContact O-N 3.42Å; Q517-N520 PolarHBondContact O-N 2.95Å; Q517-N521 VanDerWaalsContact O-CB 3.27Å; Q517-N521 WeakPolarHBondContact O-CB 3.37Å; Q517-N521 PolarHBondContact O-N 3.2Å; Q517-N521 PolarHBondContact O-OD1 2.68Å |
| 518 | Q | 67.4 | Low | 67.4 | Low | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 171.9 | -75.5 | 178.7 | -3 | 0 | 0 | 111.7 | Q514 L515 L522 | Q514-Q518 WeakPolarHBondContact O-CB 3.44Å; Q514-Q518 WeakPolarHBondContact O-CG 3.15Å; Q514-Q518 PolarHBondContact O-N 2.76Å; L515-Q518 PolarHBondContact O-N 3.28Å; Q518-L522 WeakPolarHBondContact O-CB 3.21Å; Q518-L522 WeakPolarHBondContact O-CD1 3.29Å; Q518-L522 WeakPolarHBondContact O-CG 3.25Å; Q518-L522 PolarHBondContact O-N 2.93Å |
| 519 | I | 69.9 | Low | 67.3 | Low | 88 Ų | 88 | 98.5 Ų | 98.5 | 45% | 0.451 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 174.3 | -73.7 | 163.6 | 0 | 0 | 0 | 110.6 | L515 L522 H523 | L515-I519 HydrophobicContact CD2-CD1 4.18Å; L515-I519 HydrophobicContact CG-CD1 4.02Å; L515-I519 VanDerWaalsContact O-CB 3.23Å; L515-I519 WeakPolarHBondContact O-CB 3.5Å; L515-I519 WeakPolarHBondContact O-CD1 3.48Å; L515-I519 WeakPolarHBondContact O-CG1 3.28Å; L515-I519 PolarHBondContact O-N 2.67Å; I519-L522 CarbonylContact O-C 3.57Å; I519-H523 WeakPolarHBondContact O-CB 3.27Å; I519-H523 PolarHBondContact O-N 2.7Å |
| 520 | N | 70.4 | Confident | 67.2 | Low | 100 Ų | 100 | 96.4 Ų | 96.4 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.5 | -40 | 176.4 | -73 | -21.1 | 0 | 0 | 0 | 111.7 | N516 Q517 H523 D524 | N516-N520 WeakPolarHBondContact O-CB 3.43Å; N516-N520 PolarHBondContact O-N 3.41Å; N516-N520 PolarHBondContact O-ND2 2.82Å; Q517-N520 PolarHBondContact O-N 2.95Å; N520-H523 CarbonylContact O-C 3.53Å; N520-H523 PolarHBondContact O-N 2.97Å; N520-D524 WeakPolarHBondContact O-CB 3.35Å; N520-D524 PolarHBondContact O-N 3.27Å |
| 521 | N | 71 | Confident | 67.2 | Low | 84 Ų | 84 | 97.9 Ų | 97.9 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 172.1 | -70.9 | 3.8 | 0 | 0 | 0 | 110.1 | Q517 H523 D524 D525 | Q517-N521 VanDerWaalsContact O-CB 3.27Å; Q517-N521 WeakPolarHBondContact O-CB 3.37Å; Q517-N521 PolarHBondContact O-N 3.2Å; Q517-N521 PolarHBondContact O-OD1 2.68Å; N521-H523 PolarHBondContact O-N 3.42Å; N521-D524 PolarHBondContact O-N 2.71Å; N521-D525 VanDerWaalsContact O-CB 3.27Å; N521-D525 WeakPolarHBondContact O-CB 3.12Å; N521-D525 PolarHBondContact O-N 3.3Å |
| 522 | L | 60.8 | Low | 67.3 | Low | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.8 | -29 | 173.2 | -75.2 | 167.2 | 0 | 0 | 0 | 112.5 | Q518 I519 Y526 | Q518-L522 WeakPolarHBondContact O-CB 3.21Å; Q518-L522 WeakPolarHBondContact O-CD1 3.29Å; Q518-L522 WeakPolarHBondContact O-CG 3.25Å; Q518-L522 PolarHBondContact O-N 2.93Å; I519-L522 CarbonylContact O-C 3.57Å; L522-Y526 WeakPolarHBondContact O-CA 3.45Å; L522-Y526 WeakPolarHBondContact O-CB 3.25Å; L522-Y526 PolarHBondContact O-N 2.69Å |
| 523 | H | 70.4 | Confident | 66.7 | Low | 121 Ų | 121 | 101.6 Ų | 101.6 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -80.3 | -37.8 | 177 | -168.8 | 64.1 | 0 | 0 | 0 | 112.1 | I519 N520 N521 S527 | I519-H523 WeakPolarHBondContact O-CB 3.27Å; I519-H523 PolarHBondContact O-N 2.7Å; N520-H523 CarbonylContact O-C 3.53Å; N520-H523 PolarHBondContact O-N 2.97Å; N521-H523 PolarHBondContact O-N 3.42Å; H523-S527 WeakPolarHBondContact O-CA 3.25Å; H523-S527 WeakPolarHBondContact O-CB 3.18Å; H523-S527 PolarHBondContact O-N 2.85Å |
| 524 | D | 69.9 | Low | 66.5 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 171.5 | -93.1 | -1.6 | 0 | 0 | 0 | 111.1 | N520 N521 S527 K528 | N520-D524 WeakPolarHBondContact O-CB 3.35Å; N520-D524 PolarHBondContact O-N 3.27Å; N521-D524 PolarHBondContact O-N 2.71Å; D524-S527 WeakPolarHBondContact O-CB 3.25Å; D524-S527 PolarHBondContact O-N 2.86Å; D524-K528 WeakPolarHBondContact O-CE 3.35Å; D524-K528 WeakPolarHBondContact O-CG 3.45Å; D524-K528 PolarHBondContact O-N 3.14Å |
| 525 | D | 63.8 | Low | 66.5 | Low | 75 Ų | 75 | 100 Ų | 100 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.8 | -46.2 | 174.5 | -68 | -27.2 | 0 | 0 | 0 | 110.7 | N521 S527 K528 E529 | N521-D525 VanDerWaalsContact O-CB 3.27Å; N521-D525 WeakPolarHBondContact O-CB 3.12Å; N521-D525 PolarHBondContact O-N 3.3Å; D525-S527 PolarHBondContact O-N 3.41Å; D525-K528 CarbonylContact O-C 3.6Å; D525-K528 WeakPolarHBondContact O-CB 3.28Å; D525-K528 PolarHBondContact O-N 2.88Å; D525-K528 VanDerWaalsContact O-N 3.13Å; D525-K528 IonicContact OD1-NZ 2.92Å; D525-K528 PolarHBondContact OD1-NZ 2.98Å; D525-E529 WeakPolarHBondContact O-CB 3.49Å; D525-E529 PolarHBondContact O-N 3.25Å |
| 526 | Y | 58.8 | Low | 66 | Low | 161 Ų | 161 | 98.8 Ų | 98.8 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -29.5 | 170.4 | -171 | -93.5 | 0 | 0 | 0 | 112.1 | L522 V530 | L522-Y526 WeakPolarHBondContact O-CA 3.45Å; L522-Y526 WeakPolarHBondContact O-CB 3.25Å; L522-Y526 PolarHBondContact O-N 2.69Å; Y526-V530 HydrophobicContact CD1-CG2 3.73Å; Y526-V530 HydrophobicContact CE1-CG2 3.45Å; Y526-V530 VanDerWaalsContact CE1-CG2 3.45Å; Y526-V530 HydrophobicContact CG-CG2 4.41Å; Y526-V530 WeakPolarHBondContact O-CB 3.46Å; Y526-V530 WeakPolarHBondContact O-CG2 3.34Å; Y526-V530 PolarHBondContact O-N 2.81Å |
| 527 | S | 70 | Confident | 65.3 | Low | 65 Ų | 65 | 100.6 Ų | 100.6 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | H523 D524 D525 K531 | H523-S527 WeakPolarHBondContact O-CA 3.25Å; H523-S527 WeakPolarHBondContact O-CB 3.18Å; H523-S527 PolarHBondContact O-N 2.85Å; D524-S527 WeakPolarHBondContact O-CB 3.25Å; D524-S527 PolarHBondContact O-N 2.86Å; D525-S527 PolarHBondContact O-N 3.41Å; S527-K531 WeakPolarHBondContact O-CB 3.23Å; S527-K531 PolarHBondContact O-N 3.29Å |
| 528 | K | 69 | Low | 65.1 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 47% | 0.47 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 169.5 | -67.9 | 159.7 | -148.2 | 163.2 | 0 | 111 | D524 D525 K531 K532 | D524-K528 WeakPolarHBondContact O-CE 3.35Å; D524-K528 WeakPolarHBondContact O-CG 3.45Å; D524-K528 PolarHBondContact O-N 3.14Å; D525-K528 CarbonylContact O-C 3.6Å; D525-K528 WeakPolarHBondContact O-CB 3.28Å; D525-K528 PolarHBondContact O-N 2.88Å; D525-K528 VanDerWaalsContact O-N 3.13Å; D525-K528 IonicContact OD1-NZ 2.92Å; D525-K528 PolarHBondContact OD1-NZ 2.98Å; K528-K531 CarbonylContact O-C 3.55Å; K528-K531 PolarHBondContact O-N 2.86Å; K528-K532 WeakPolarHBondContact O-CG 3.42Å; K528-K532 PolarHBondContact O-N 3.32Å |
| 529 | E | 56.8 | Low | 65 | Low | 90 Ų | 90 | 98.6 Ų | 98.6 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.8 | -40.1 | -179.8 | -124.2 | 55.6 | -142.5 | 0 | 0 | 111.9 | D525 K531 K532 Y533 | D525-E529 WeakPolarHBondContact O-CB 3.49Å; D525-E529 PolarHBondContact O-N 3.25Å; E529-K531 VanDerWaalsContact C-N 3.29Å; E529-K531 PolarHBondContact O-N 2.8Å; E529-K532 PolarHBondContact O-N 2.79Å; E529-K532 VanDerWaalsContact OE1-CD 3.28Å; E529-K532 WeakPolarHBondContact OE1-CD 3.45Å; E529-K532 IonicContact OE1-NZ 3.46Å; E529-K532 PolarHBondContact OE1-NZ 3.38Å; E529-K532 IonicContact OE2-NZ 3.96Å; E529-K532 PolarHBondContact OE2-NZ 3.25Å; E529-Y533 WeakPolarHBondContact O-CB 3.42Å; E529-Y533 PolarHBondContact O-N 2.74Å |
| 530 | V | 65.3 | Low | 64.2 | Low | 63 Ų | 63 | 100.3 Ų | 100.3 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -34.2 | 169.7 | 165.6 | 0 | 0 | 0 | 0 | 110.9 | Y526 Y533 S534 | Y526-V530 HydrophobicContact CD1-CG2 3.73Å; Y526-V530 HydrophobicContact CE1-CG2 3.45Å; Y526-V530 VanDerWaalsContact CE1-CG2 3.45Å; Y526-V530 HydrophobicContact CG-CG2 4.41Å; Y526-V530 WeakPolarHBondContact O-CB 3.46Å; Y526-V530 WeakPolarHBondContact O-CG2 3.34Å; Y526-V530 PolarHBondContact O-N 2.81Å; V530-Y533 CarbonylContact O-C 3.56Å; V530-Y533 WeakPolarHBondContact O-CB 3.36Å; V530-Y533 PolarHBondContact O-N 3.13Å; V530-S534 WeakPolarHBondContact O-CB 3.12Å; V530-S534 PolarHBondContact O-N 3.44Å; V530-S534 PolarHBondContact O-OG 2.69Å |
| 531 | K | 67.8 | Low | 63.9 | Low | 136 Ų | 136 | 97 Ų | 97 | 59% | 0.591 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -72.3 | -43 | 175.9 | -167.2 | 177.7 | -179 | -171.5 | 0 | 111.5 | S527 K528 E529 Y533 S534 D535 | S527-K531 WeakPolarHBondContact O-CB 3.23Å; S527-K531 PolarHBondContact O-N 3.29Å; K528-K531 CarbonylContact O-C 3.55Å; K528-K531 PolarHBondContact O-N 2.86Å; E529-K531 VanDerWaalsContact C-N 3.29Å; E529-K531 PolarHBondContact O-N 2.8Å; K531-Y533 VanDerWaalsContact C-N 3.28Å; K531-Y533 PolarHBondContact O-N 3.26Å; K531-S534 CarbonylContact O-C 3.52Å; K531-S534 WeakPolarHBondContact O-CA 3.3Å; K531-S534 WeakPolarHBondContact O-CB 3.47Å; K531-S534 PolarHBondContact O-N 3.4Å; K531-D535 WeakPolarHBondContact O-CB 3.36Å; K531-D535 VanDerWaalsContact O-CG 3.31Å; K531-D535 PolarHBondContact O-N 2.84Å |
| 532 | K | 65.1 | Low | 63.7 | Low | 112 Ų | 112 | 98.7 Ų | 98.7 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.9 | -45.2 | 166.3 | -73.7 | 177 | -169.7 | 162.4 | 0 | 110.6 | K528 E529 S534 D535 L536 | K528-K532 WeakPolarHBondContact O-CG 3.42Å; K528-K532 PolarHBondContact O-N 3.32Å; E529-K532 PolarHBondContact O-N 2.79Å; E529-K532 VanDerWaalsContact OE1-CD 3.28Å; E529-K532 WeakPolarHBondContact OE1-CD 3.45Å; E529-K532 IonicContact OE1-NZ 3.46Å; E529-K532 PolarHBondContact OE1-NZ 3.38Å; E529-K532 IonicContact OE2-NZ 3.96Å; E529-K532 PolarHBondContact OE2-NZ 3.25Å; K532-S534 VanDerWaalsContact C-N 3.28Å; K532-S534 PolarHBondContact O-N 2.8Å; K532-D535 PolarHBondContact O-N 2.76Å; K532-L536 VanDerWaalsContact O-CB 3.3Å; K532-L536 WeakPolarHBondContact O-CB 3.37Å; K532-L536 WeakPolarHBondContact O-CD1 3.29Å; K532-L536 PolarHBondContact O-N 2.85Å |
| 533 | Y | 56 | Low | 63.2 | Low | 141 Ų | 141 | 96.4 Ų | 96.4 | 55% | 0.553 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.6 | -30.6 | 175.1 | -110.5 | -87.7 | 0 | 0 | 0 | 112.9 | E529 V530 K531 E537 | E529-Y533 WeakPolarHBondContact O-CB 3.42Å; E529-Y533 PolarHBondContact O-N 2.74Å; V530-Y533 CarbonylContact O-C 3.56Å; V530-Y533 WeakPolarHBondContact O-CB 3.36Å; V530-Y533 PolarHBondContact O-N 3.13Å; K531-Y533 VanDerWaalsContact C-N 3.28Å; K531-Y533 PolarHBondContact O-N 3.26Å; Y533-E537 WeakPolarHBondContact O-CA 3.16Å; Y533-E537 WeakPolarHBondContact O-CB 3.2Å; Y533-E537 PolarHBondContact O-N 2.86Å |
| 534 | S | 65.7 | Low | 62.5 | Low | 50 Ų | 50 | 92.2 Ų | 92.2 | 35% | 0.35 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -76.1 | -39.1 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | V530 K531 K532 E537 L538 | V530-S534 WeakPolarHBondContact O-CB 3.12Å; V530-S534 PolarHBondContact O-N 3.44Å; V530-S534 PolarHBondContact O-OG 2.69Å; K531-S534 CarbonylContact O-C 3.52Å; K531-S534 WeakPolarHBondContact O-CA 3.3Å; K531-S534 WeakPolarHBondContact O-CB 3.47Å; K531-S534 PolarHBondContact O-N 3.4Å; K532-S534 VanDerWaalsContact C-N 3.28Å; K532-S534 PolarHBondContact O-N 2.8Å; S534-E537 PolarHBondContact O-N 3.32Å; S534-L538 WeakPolarHBondContact O-CG 3.27Å; S534-L538 PolarHBondContact O-N 3.33Å |
| 535 | D | 65.8 | Low | 62.2 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 46% | 0.46 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 176.1 | -64.2 | -28.7 | 0 | 0 | 0 | 110.4 | K531 K532 K539 | K531-D535 WeakPolarHBondContact O-CB 3.36Å; K531-D535 VanDerWaalsContact O-CG 3.31Å; K531-D535 PolarHBondContact O-N 2.84Å; K532-D535 PolarHBondContact O-N 2.76Å; D535-K539 WeakPolarHBondContact O-CB 3.42Å; D535-K539 PolarHBondContact O-N 2.82Å |
| 536 | L | 57.4 | Low | 61.8 | Low | 71 Ų | 71 | 88.5 Ų | 88.5 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.4 | -33.7 | 166.4 | -97 | 77.4 | 0 | 0 | 0 | 112.3 | K532 L538 K539 Y540 | K532-L536 VanDerWaalsContact O-CB 3.3Å; K532-L536 WeakPolarHBondContact O-CB 3.37Å; K532-L536 WeakPolarHBondContact O-CD1 3.29Å; K532-L536 PolarHBondContact O-N 2.85Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-K539 PolarHBondContact O-N 3.44Å; L536-Y540 WeakPolarHBondContact O-CA 3.27Å; L536-Y540 WeakPolarHBondContact O-CB 3.24Å; L536-Y540 PolarHBondContact O-N 3.42Å |
| 537 | E | 56.6 | Low | 61.5 | Low | 109 Ų | 109 | 84.9 Ų | 84.9 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 173 | -178.9 | 171 | -164.9 | 0 | 0 | 109.6 | Y533 S534 N541 | Y533-E537 WeakPolarHBondContact O-CA 3.16Å; Y533-E537 WeakPolarHBondContact O-CB 3.2Å; Y533-E537 PolarHBondContact O-N 2.86Å; S534-E537 PolarHBondContact O-N 3.32Å; E537-N541 WeakPolarHBondContact CG-ND2 3.5Å; E537-N541 VanDerWaalsContact O-CB 3.23Å; E537-N541 WeakPolarHBondContact O-CB 3.44Å; E537-N541 PolarHBondContact O-N 2.74Å; E537-N541 PolarHBondContact O-ND2 2.69Å |
| 538 | L | 68.8 | Low | 60.9 | Low | 116 Ų | 116 | 83 Ų | 83 | 61% | 0.607 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.5 | -51.5 | 169.6 | -76.9 | 166.4 | 0 | 0 | 0 | 111.6 | S534 L536 Y540 N541 E542 | S534-L538 WeakPolarHBondContact O-CG 3.27Å; S534-L538 PolarHBondContact O-N 3.33Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L538-Y540 PolarHBondContact O-N 2.84Å; L538-N541 WeakPolarHBondContact O-CB 3.24Å; L538-N541 PolarHBondContact O-N 3.23Å; L538-E542 WeakPolarHBondContact O-CB 3.24Å; L538-E542 PolarHBondContact O-N 2.88Å |
| 539 | K | 65.3 | Low | 60.7 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.1 | -106.4 | -165.8 | 166.7 | -148.6 | 0 | 112.9 | E395 D535 L536 E542 V543 | E395-K539 VanDerWaalsContact CD-NZ 3.29Å; E395-K539 IonicContact OE1-NZ 3.58Å; E395-K539 PolarHBondContact OE1-NZ 2.8Å; E395-K539 IonicContact OE2-NZ 2.69Å; E395-K539 PolarHBondContact OE2-NZ 3.47Å; E395-K539 VanDerWaalsContact OE2-NZ 3.16Å; D535-K539 WeakPolarHBondContact O-CB 3.42Å; D535-K539 PolarHBondContact O-N 2.82Å; L536-K539 PolarHBondContact O-N 3.44Å; K539-E542 CarbonylContact O-C 3.59Å; K539-E542 WeakPolarHBondContact O-CB 3.47Å; K539-E542 PolarHBondContact O-N 2.94Å; K539-E542 VanDerWaalsContact O-N 3.13Å; K539-V543 WeakPolarHBondContact O-CB 3.45Å; K539-V543 WeakPolarHBondContact O-CG2 3.36Å; K539-V543 PolarHBondContact O-N 3.46Å |
| 540 | Y | 54.4 | Low | 60.1 | Low | 125 Ų | 125 | 76.4 Ų | 76.4 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.1 | 177.7 | -90.8 | 0 | 0 | 0 | 110.2 | L536 L538 E542 Q544 | L536-Y540 WeakPolarHBondContact O-CA 3.27Å; L536-Y540 WeakPolarHBondContact O-CB 3.24Å; L536-Y540 PolarHBondContact O-N 3.42Å; L538-Y540 PolarHBondContact O-N 2.84Å; Y540-E542 PolarHBondContact O-N 3.39Å; Y540-Q544 WeakPolarHBondContact O-CA 3.4Å; Y540-Q544 WeakPolarHBondContact O-CB 3.36Å; Y540-Q544 PolarHBondContact O-N 3.17Å |
| 541 | N | 63.7 | Low | 59.5 | Low | 29 Ų | 29 | 78 Ų | 78 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 171.9 | -76.9 | -61 | 0 | 0 | 0 | 111.9 | K290 Q294 E537 L538 V545 | K290-N541 VanDerWaalsContact CD-OD1 3.25Å; K290-N541 WeakPolarHBondContact CD-OD1 3.48Å; K290-N541 WeakPolarHBondContact CE-OD1 3.35Å; K290-N541 PolarHBondContact NZ-ND2 3.22Å; K290-N541 VanDerWaalsContact NZ-ND2 3.12Å; K290-N541 PolarHBondContact NZ-OD1 2.81Å; Q294-N541 PolarHBondContact NE2-O 2.78Å; E537-N541 WeakPolarHBondContact CG-ND2 3.5Å; E537-N541 VanDerWaalsContact O-CB 3.23Å; E537-N541 WeakPolarHBondContact O-CB 3.44Å; E537-N541 PolarHBondContact O-N 2.74Å; E537-N541 PolarHBondContact O-ND2 2.69Å; L538-N541 WeakPolarHBondContact O-CB 3.24Å; L538-N541 PolarHBondContact O-N 3.23Å; N541-V545 WeakPolarHBondContact O-CB 3.45Å; N541-V545 WeakPolarHBondContact O-CG2 3.49Å; N541-V545 PolarHBondContact O-N 2.91Å |
| 542 | E | 65.7 | Low | 59.4 | Low | 120 Ų | 120 | 73.8 Ų | 73.8 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -77.6 | -44.7 | 178.6 | -166.8 | 169.7 | -145.9 | 0 | 0 | 113.6 | L538 K539 Y540 V545 Q546 | L538-E542 WeakPolarHBondContact O-CB 3.24Å; L538-E542 PolarHBondContact O-N 2.88Å; K539-E542 CarbonylContact O-C 3.59Å; K539-E542 WeakPolarHBondContact O-CB 3.47Å; K539-E542 PolarHBondContact O-N 2.94Å; K539-E542 VanDerWaalsContact O-N 3.13Å; Y540-E542 PolarHBondContact O-N 3.39Å; E542-V545 CarbonylContact O-C 3.57Å; E542-V545 VanDerWaalsContact O-CA 3.23Å; E542-V545 WeakPolarHBondContact O-CA 3.31Å; E542-V545 WeakPolarHBondContact O-CB 3.23Å; E542-V545 PolarHBondContact O-N 3.46Å; E542-Q546 PolarHBondContact O-N 3.31Å; E542-Q546 VanDerWaalsContact O-N 3.07Å |
| 543 | V | 50.6 | Low | 59.1 | Low | 71 Ų | 71 | 70.6 Ų | 70.6 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 174 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | K539 V545 Q546 L547 | K539-V543 WeakPolarHBondContact O-CB 3.45Å; K539-V543 WeakPolarHBondContact O-CG2 3.36Å; K539-V543 PolarHBondContact O-N 3.46Å; V543-V545 VanDerWaalsContact C-N 3.31Å; V543-Q546 CarbonylContact O-C 3.55Å; V543-Q546 WeakPolarHBondContact O-CA 3.44Å; V543-Q546 WeakPolarHBondContact O-CB 3.49Å; V543-Q546 PolarHBondContact O-N 2.93Å; V543-L547 PolarHBondContact O-N 2.81Å |
| 544 | Q | 55.3 | Low | 59.3 | Low | 33 Ų | 33 | 68.2 Ų | 68.2 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.5 | -32.8 | 167.6 | -168.7 | 91.3 | -3.8 | 0 | 0 | 109 | Q294 Y540 Q546 L547 | Q294-Q544 VanDerWaalsContact CA-O 3.23Å; Q294-Q544 WeakPolarHBondContact CA-O 3.35Å; Q294-Q544 VanDerWaalsContact CB-C 3.49Å; Q294-Q544 HydrophobicContact CB-CG 4.22Å; Q294-Q544 WeakPolarHBondContact CB-O 3.33Å; Q294-Q544 HydrophobicContact CG-CB 4.27Å; Q294-Q544 HydrophobicContact CG-CG 4.04Å; Q294-Q544 WeakPolarHBondContact CG-O 3.48Å; Y540-Q544 WeakPolarHBondContact O-CA 3.4Å; Y540-Q544 WeakPolarHBondContact O-CB 3.36Å; Y540-Q544 PolarHBondContact O-N 3.17Å; Q544-Q546 CarbonylContact O-C 3.57Å; Q544-Q546 PolarHBondContact O-N 2.98Å; Q544-L547 PolarHBondContact O-N 2.82Å |
| 545 | V | 65.2 | Low | 59.3 | Low | 35 Ų | 35 | 71 Ų | 71 | 21% | 0.212 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.3 | -26.1 | 171.2 | 155.7 | 0 | 0 | 0 | 0 | 111 | Q294 E297 N541 E542 V543 | Q294-V545 VanDerWaalsContact CA-CA 3.48Å; Q294-V545 WeakPolarHBondContact CA-O 3.43Å; Q294-V545 VanDerWaalsContact CG-CA 3.44Å; Q294-V545 HydrophobicContact CG-CB 4.2Å; Q294-V545 HydrophobicContact CG-CG2 3.68Å; E297-V545 HydrophobicContact CB-CG1 3.94Å; E297-V545 WeakPolarHBondContact CB-O 3.37Å; E297-V545 HydrophobicContact CG-CG1 4.48Å; N541-V545 WeakPolarHBondContact O-CB 3.45Å; N541-V545 WeakPolarHBondContact O-CG2 3.49Å; N541-V545 PolarHBondContact O-N 2.91Å; E542-V545 CarbonylContact O-C 3.57Å; E542-V545 VanDerWaalsContact O-CA 3.23Å; E542-V545 WeakPolarHBondContact O-CA 3.31Å; E542-V545 WeakPolarHBondContact O-CB 3.23Å; E542-V545 PolarHBondContact O-N 3.46Å; V543-V545 VanDerWaalsContact C-N 3.31Å |
| 546 | Q | 55.6 | Low | 59.4 | Low | 60 Ų | 60 | 69.1 Ų | 69.1 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -88.2 | -48.8 | 171.9 | -71.9 | 162.5 | 21.8 | 0 | 0 | 112.4 | E297 I298 L301 E542 V543 Q544 T549 | E297-Q546 HydrophobicContact CB-CG 4.23Å; E297-Q546 HydrophobicContact CG-CG 4.22Å; E297-Q546 WeakPolarHBondContact OE2-CG 3.48Å; E297-Q546 PolarHBondContact OE2-NE2 3.04Å; I298-Q546 WeakPolarHBondContact CB-O 3.45Å; I298-Q546 VanDerWaalsContact CD1-C 3.48Å; I298-Q546 HydrophobicContact CD1-CB 3.75Å; I298-Q546 VanDerWaalsContact CD1-O 3.25Å; I298-Q546 WeakPolarHBondContact CD1-O 3.49Å; I298-Q546 HydrophobicContact CG1-CB 3.66Å; I298-Q546 HydrophobicContact CG1-CG 4.3Å; I298-Q546 WeakPolarHBondContact CG1-O 3.45Å; L301-Q546 HydrophobicContact CD1-CG 3.93Å; E542-Q546 PolarHBondContact O-N 3.31Å; E542-Q546 VanDerWaalsContact O-N 3.07Å; V543-Q546 CarbonylContact O-C 3.55Å; V543-Q546 WeakPolarHBondContact O-CA 3.44Å; V543-Q546 WeakPolarHBondContact O-CB 3.49Å; V543-Q546 PolarHBondContact O-N 2.93Å; Q544-Q546 CarbonylContact O-C 3.57Å; Q544-Q546 PolarHBondContact O-N 2.98Å; Q546-T549 WeakPolarHBondContact O-CA 3.36Å; Q546-T549 PolarHBondContact O-N 3.29Å |
| 547 | L | 50.7 | Low | 59.8 | Low | 85 Ų | 85 | 68.3 Ų | 68.3 | 45% | 0.445 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -48.9 | -69.4 | -166.2 | -176.1 | 65.3 | 0 | 0 | 0 | 118.4 | V543 Q544 T549 V550 | V543-L547 PolarHBondContact O-N 2.81Å; Q544-L547 PolarHBondContact O-N 2.82Å; L547-T549 PolarHBondContact O-N 3.02Å; L547-V550 PolarHBondContact O-N 3.44Å |
| 548 | N | 58.6 | Low | 60.2 | Low | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -9.8 | -176.9 | -44 | -93.5 | 0 | 0 | 0 | 111.4 | T291 Q294 S295 V550 Q551 N552 | T291-N548 WeakPolarHBondContact CG2-OD1 3.2Å; T291-N548 WeakPolarHBondContact O-CB 3.47Å; T291-N548 PolarHBondContact O-ND2 2.91Å; Q294-N548 CarbonylContact O-C 3.55Å; Q294-N548 WeakPolarHBondContact O-CA 3.35Å; Q294-N548 WeakPolarHBondContact O-CB 3.5Å; Q294-N548 PolarHBondContact O-N 3.34Å; S295-N548 WeakPolarHBondContact OG-CB 3.34Å; S295-N548 PolarHBondContact OG-O 3.48Å; N548-V550 VanDerWaalsContact C-N 3.34Å; N548-V550 PolarHBondContact O-N 2.6Å; N548-Q551 HydrophobicContact CB-CB 4.2Å; N548-Q551 CarbonylContact O-C 3.59Å; N548-Q551 WeakPolarHBondContact O-CA 3.06Å; N548-Q551 WeakPolarHBondContact O-CB 3.5Å; N548-Q551 PolarHBondContact O-N 3.34Å; N548-N552 PolarHBondContact O-N 2.84Å |
| 549 | T | 63.9 | Low | 60.3 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -39.2 | -55.9 | 157.3 | 37.5 | 0 | 0 | 0 | 0 | 116.2 | Q294 S295 N296 E297 I298 K299 Q546 L547 Q551 N552 H553 | Q294-T549 VanDerWaalsContact C-OG1 3.32Å; Q294-T549 PolarHBondContact O-N 3.44Å; Q294-T549 PolarHBondContact O-OG1 3.02Å; S295-T549 VanDerWaalsContact C-CB 3.49Å; S295-T549 WeakPolarHBondContact CA-OG1 3.37Å; S295-T549 PolarHBondContact N-OG1 3.22Å; S295-T549 WeakPolarHBondContact O-CG2 3.4Å; N296-T549 WeakPolarHBondContact CA-OG1 3.37Å; N296-T549 VanDerWaalsContact N-CG2 3.34Å; N296-T549 PolarHBondContact N-OG1 3.49Å; E297-T549 PolarHBondContact N-OG1 2.82Å; I298-T549 VanDerWaalsContact N-CB 3.28Å; I298-T549 PolarHBondContact N-OG1 3.34Å; K299-T549 HydrophobicContact CB-CG2 3.55Å; K299-T549 HydrophobicContact CD-CG2 4.04Å; K299-T549 HydrophobicContact CG-CG2 3.6Å; Q546-T549 WeakPolarHBondContact O-CA 3.36Å; Q546-T549 PolarHBondContact O-N 3.29Å; L547-T549 PolarHBondContact O-N 3.02Å; T549-Q551 VanDerWaalsContact C-N 3.3Å; T549-N552 HydrophobicContact CG2-CB 3.75Å; T549-H553 PolarHBondContact O-N 3.19Å |
| 550 | V | 44.9 | Very low | 60.5 | Low | 59 Ų | 59 | 64.1 Ų | 64.1 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 174.8 | 95 | 0 | 0 | 0 | 0 | 109.2 | I298 L547 N548 H553 L554 | I298-V550 HydrophobicContact CG2-CB 3.86Å; I298-V550 HydrophobicContact CG2-CG2 4.06Å; L547-V550 PolarHBondContact O-N 3.44Å; N548-V550 VanDerWaalsContact C-N 3.34Å; N548-V550 PolarHBondContact O-N 2.6Å; V550-H553 PolarHBondContact O-N 2.84Å; V550-L554 WeakPolarHBondContact O-CA 3.49Å; V550-L554 WeakPolarHBondContact O-CB 3.27Å; V550-L554 PolarHBondContact O-N 3.3Å |
| 551 | Q | 53.7 | Low | 61.3 | Low | 98 Ų | 98 | 63 Ų | 63 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.9 | -58.6 | 178.4 | -157.1 | 86.4 | 7.9 | 0 | 0 | 112.4 | N548 T549 H553 L554 E555 | N548-Q551 HydrophobicContact CB-CB 4.2Å; N548-Q551 CarbonylContact O-C 3.59Å; N548-Q551 WeakPolarHBondContact O-CA 3.06Å; N548-Q551 WeakPolarHBondContact O-CB 3.5Å; N548-Q551 PolarHBondContact O-N 3.34Å; T549-Q551 VanDerWaalsContact C-N 3.3Å; Q551-H553 PolarHBondContact O-N 2.86Å; Q551-L554 CarbonylContact O-C 3.59Å; Q551-L554 WeakPolarHBondContact O-CB 3.27Å; Q551-L554 PolarHBondContact O-N 2.7Å; Q551-L554 VanDerWaalsContact O-N 3.11Å; Q551-E555 WeakPolarHBondContact O-CG 3.5Å; Q551-E555 PolarHBondContact O-N 2.77Å |
| 552 | N | 65.3 | Low | 61.6 | Low | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.7 | -18.2 | -175.3 | -122.7 | 2.1 | 0 | 0 | 0 | 112.9 | S295 K299 N548 T549 S556 | S295-N552 WeakPolarHBondContact CB-ND2 3.39Å; S295-N552 PolarHBondContact O-ND2 3.13Å; S295-N552 WeakPolarHBondContact OG-CB 3.3Å; S295-N552 PolarHBondContact OG-ND2 2.96Å; K299-N552 PolarHBondContact NZ-O 3.06Å; N548-N552 PolarHBondContact O-N 2.84Å; T549-N552 HydrophobicContact CG2-CB 3.75Å; N552-S556 PolarHBondContact O-OG 2.9Å |
| 553 | H | 58.6 | Low | 61.8 | Low | 45 Ų | 45 | 66.3 Ų | 66.3 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -92.6 | -33.2 | 169.9 | -116.1 | -3.1 | 0 | 0 | 0 | 112.7 | K299 T549 V550 Q551 E555 S556 T557 | K299-H553 VanDerWaalsContact CA-CD2 3.47Å; K299-H553 WeakPolarHBondContact CA-CD2 3.5Å; K299-H553 HydrophobicContact CG-CB 4.32Å; K299-H553 PolarHBondContact O-CD2 3.47Å; K299-H553 PolarHBondContact O-NE2 2.72Å; T549-H553 PolarHBondContact O-N 3.19Å; V550-H553 PolarHBondContact O-N 2.84Å; Q551-H553 PolarHBondContact O-N 2.86Å; H553-E555 VanDerWaalsContact C-N 3.27Å; H553-E555 PolarHBondContact O-N 2.91Å; H553-S556 CarbonylContact O-C 3.6Å; H553-S556 WeakPolarHBondContact O-CA 3.42Å; H553-S556 WeakPolarHBondContact O-CB 3.2Å; H553-S556 PolarHBondContact O-N 3.44Å; H553-T557 WeakPolarHBondContact O-CB 3.21Å; H553-T557 PolarHBondContact O-N 3.25Å; H553-T557 PolarHBondContact O-OG1 2.93Å; H553-T557 VanDerWaalsContact O-OG1 3.13Å |
| 554 | L | 60.2 | Low | 62.8 | Low | 90 Ų | 90 | 67.6 Ų | 67.6 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 169.5 | -171.8 | 67.8 | 0 | 0 | 0 | 110.3 | V550 Q551 T557 N558 | V550-L554 WeakPolarHBondContact O-CA 3.49Å; V550-L554 WeakPolarHBondContact O-CB 3.27Å; V550-L554 PolarHBondContact O-N 3.3Å; Q551-L554 CarbonylContact O-C 3.59Å; Q551-L554 WeakPolarHBondContact O-CB 3.27Å; Q551-L554 PolarHBondContact O-N 2.7Å; Q551-L554 VanDerWaalsContact O-N 3.11Å; L554-T557 PolarHBondContact O-N 3.03Å; L554-N558 WeakPolarHBondContact O-CA 3.21Å; L554-N558 WeakPolarHBondContact O-CB 3.45Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-N558 PolarHBondContact O-OD1 3.38Å |
| 555 | E | 65.3 | Low | 63.3 | Low | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.1 | -34.7 | 168.9 | -72.9 | 175.1 | -159.8 | 0 | 0 | 112.5 | Q551 H553 A559 | Q551-E555 WeakPolarHBondContact O-CG 3.5Å; Q551-E555 PolarHBondContact O-N 2.77Å; H553-E555 VanDerWaalsContact C-N 3.27Å; H553-E555 PolarHBondContact O-N 2.91Å; E555-A559 VanDerWaalsContact O-CB 3.25Å; E555-A559 WeakPolarHBondContact O-CB 3.12Å; E555-A559 PolarHBondContact O-N 2.92Å |
| 556 | S | 67.7 | Low | 63.8 | Low | 46 Ų | 46 | 72.4 Ų | 72.4 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.6 | -39 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | N552 H553 L560 | N552-S556 PolarHBondContact O-OG 2.9Å; H553-S556 CarbonylContact O-C 3.6Å; H553-S556 WeakPolarHBondContact O-CA 3.42Å; H553-S556 WeakPolarHBondContact O-CB 3.2Å; H553-S556 PolarHBondContact O-N 3.44Å; S556-L560 WeakPolarHBondContact O-CG 3.47Å; S556-L560 PolarHBondContact O-N 3.45Å |
| 557 | T | 66.5 | Low | 64.8 | Low | 54 Ų | 54 | 73.8 Ų | 73.8 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79 | -30.4 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | H553 L554 L560 K561 | H553-T557 WeakPolarHBondContact O-CB 3.21Å; H553-T557 PolarHBondContact O-N 3.25Å; H553-T557 PolarHBondContact O-OG1 2.93Å; H553-T557 VanDerWaalsContact O-OG1 3.13Å; L554-T557 PolarHBondContact O-N 3.03Å; T557-L560 CarbonylContact O-C 3.54Å; T557-L560 PolarHBondContact O-N 3.19Å; T557-K561 WeakPolarHBondContact O-CB 3.31Å; T557-K561 PolarHBondContact O-N 3.45Å |
| 558 | N | 64.8 | Low | 65.7 | Low | 68 Ų | 68 | 74 Ų | 74 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.3 | -40.8 | 168 | -75.1 | -6.6 | 0 | 0 | 0 | 110.7 | L554 L560 K561 E562 | L554-N558 WeakPolarHBondContact O-CA 3.21Å; L554-N558 WeakPolarHBondContact O-CB 3.45Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-N558 PolarHBondContact O-OD1 3.38Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 3.48Å; N558-K561 CarbonylContact O-C 3.31Å; N558-K561 WeakPolarHBondContact O-CB 3.37Å; N558-K561 PolarHBondContact O-N 3.01Å; N558-K561 VanDerWaalsContact O-N 3.15Å; N558-E562 WeakPolarHBondContact O-CB 3.38Å; N558-E562 WeakPolarHBondContact O-CG 3.47Å; N558-E562 PolarHBondContact O-N 3.44Å |
| 559 | A | 70.7 | Confident | 66.4 | Low | 53 Ų | 53 | 77 Ų | 77 | 44% | 0.438 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -36 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | E555 E563 | E555-A559 VanDerWaalsContact O-CB 3.25Å; E555-A559 WeakPolarHBondContact O-CB 3.12Å; E555-A559 PolarHBondContact O-N 2.92Å; A559-E563 WeakPolarHBondContact O-CB 3.21Å; A559-E563 PolarHBondContact O-N 2.75Å |
| 560 | L | 69.7 | Low | 66.9 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.1 | -32 | 171.6 | -79 | 166.4 | 0 | 0 | 0 | 113.2 | S556 T557 N558 E563 L564 | S556-L560 WeakPolarHBondContact O-CG 3.47Å; S556-L560 PolarHBondContact O-N 3.45Å; T557-L560 CarbonylContact O-C 3.54Å; T557-L560 PolarHBondContact O-N 3.19Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 3.48Å; L560-E563 PolarHBondContact O-N 3.02Å; L560-L564 VanDerWaalsContact O-CB 3.25Å; L560-L564 WeakPolarHBondContact O-CB 3.46Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.29Å; L560-L564 PolarHBondContact O-N 2.92Å |
| 561 | K | 69.7 | Low | 68 | Low | 100 Ų | 100 | 83.8 Ų | 83.8 | 44% | 0.435 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 172.7 | 176.1 | -176.9 | 170.2 | -68.4 | 0 | 110.1 | T557 N558 L564 E565 | T557-K561 WeakPolarHBondContact O-CB 3.31Å; T557-K561 PolarHBondContact O-N 3.45Å; N558-K561 CarbonylContact O-C 3.31Å; N558-K561 WeakPolarHBondContact O-CB 3.37Å; N558-K561 PolarHBondContact O-N 3.01Å; N558-K561 VanDerWaalsContact O-N 3.15Å; K561-L564 CarbonylContact O-C 3.53Å; K561-L564 PolarHBondContact O-N 3.23Å; K561-E565 WeakPolarHBondContact CE-OE1 3.46Å; K561-E565 HydrophobicContact CG-CG 4.37Å; K561-E565 IonicContact NZ-OE1 2.69Å; K561-E565 PolarHBondContact NZ-OE1 3.44Å; K561-E565 IonicContact NZ-OE2 2.57Å; K561-E565 PolarHBondContact NZ-OE2 3.19Å; K561-E565 VanDerWaalsContact O-CB 3.27Å; K561-E565 WeakPolarHBondContact O-CB 3.42Å; K561-E565 VanDerWaalsContact O-CG 3.28Å; K561-E565 WeakPolarHBondContact O-CG 3.32Å; K561-E565 PolarHBondContact O-N 3.09Å |
| 562 | E | 70.9 | Confident | 68.9 | Low | 123 Ų | 123 | 83.8 Ų | 83.8 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 170.9 | -74.9 | 174.3 | -155.7 | 0 | 0 | 110.9 | N558 L564 E565 V566 | N558-E562 WeakPolarHBondContact O-CB 3.38Å; N558-E562 WeakPolarHBondContact O-CG 3.47Å; N558-E562 PolarHBondContact O-N 3.44Å; E562-L564 VanDerWaalsContact C-N 3.28Å; E562-L564 PolarHBondContact O-N 3.23Å; E562-E565 PolarHBondContact O-N 2.77Å; E562-V566 VanDerWaalsContact O-CB 3.29Å; E562-V566 WeakPolarHBondContact O-CB 3.49Å; E562-V566 VanDerWaalsContact O-CG2 3.25Å; E562-V566 WeakPolarHBondContact O-CG2 3.25Å; E562-V566 PolarHBondContact O-N 2.89Å |
| 563 | E | 71 | Confident | 69.4 | Low | 96 Ų | 96 | 86.7 Ų | 86.7 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 174.7 | -151.9 | -155.2 | 166.9 | 0 | 0 | 111.5 | A559 L560 K567 | A559-E563 WeakPolarHBondContact O-CB 3.21Å; A559-E563 PolarHBondContact O-N 2.75Å; L560-E563 PolarHBondContact O-N 3.02Å; E563-K567 VanDerWaalsContact O-CB 3.32Å; E563-K567 WeakPolarHBondContact O-CB 3.17Å; E563-K567 VanDerWaalsContact O-CD 3.25Å; E563-K567 WeakPolarHBondContact O-CD 3.19Å; E563-K567 WeakPolarHBondContact O-CG 3.38Å; E563-K567 PolarHBondContact O-N 3.39Å; E563-K567 WeakPolarHBondContact OE1-CE 3.44Å; E563-K567 IonicContact OE1-NZ 3.43Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å; E563-K567 IonicContact OE2-NZ 2.71Å; E563-K567 PolarHBondContact OE2-NZ 2.88Å |
| 564 | L | 69.8 | Low | 70.2 | Confident | 98 Ų | 98 | 88 Ų | 88 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.1 | -35.2 | 173.2 | -79.8 | 166.8 | 0 | 0 | 0 | 112.7 | L560 K561 E562 K567 I568 | L560-L564 VanDerWaalsContact O-CB 3.25Å; L560-L564 WeakPolarHBondContact O-CB 3.46Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.29Å; L560-L564 PolarHBondContact O-N 2.92Å; K561-L564 CarbonylContact O-C 3.53Å; K561-L564 PolarHBondContact O-N 3.23Å; E562-L564 VanDerWaalsContact C-N 3.28Å; E562-L564 PolarHBondContact O-N 3.23Å; L564-K567 CarbonylContact O-C 3.58Å; L564-K567 PolarHBondContact O-N 3.03Å; L564-I568 VanDerWaalsContact O-CB 3.27Å; L564-I568 WeakPolarHBondContact O-CB 3.31Å; L564-I568 WeakPolarHBondContact O-CD1 3.31Å; L564-I568 WeakPolarHBondContact O-CG1 3.27Å; L564-I568 PolarHBondContact O-N 3.5Å |
| 565 | E | 65.7 | Low | 70.6 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 38% | 0.383 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.6 | -33.2 | 178.2 | -78.6 | 170.6 | 166.8 | 0 | 0 | 111 | K561 E562 I568 T569 | K561-E565 WeakPolarHBondContact CE-OE1 3.46Å; K561-E565 HydrophobicContact CG-CG 4.37Å; K561-E565 IonicContact NZ-OE1 2.69Å; K561-E565 PolarHBondContact NZ-OE1 3.44Å; K561-E565 IonicContact NZ-OE2 2.57Å; K561-E565 PolarHBondContact NZ-OE2 3.19Å; K561-E565 VanDerWaalsContact O-CB 3.27Å; K561-E565 WeakPolarHBondContact O-CB 3.42Å; K561-E565 VanDerWaalsContact O-CG 3.28Å; K561-E565 WeakPolarHBondContact O-CG 3.32Å; K561-E565 PolarHBondContact O-N 3.09Å; E562-E565 PolarHBondContact O-N 2.77Å; E565-I568 PolarHBondContact O-N 2.91Å; E565-T569 WeakPolarHBondContact O-CB 3.35Å; E565-T569 PolarHBondContact O-N 3.46Å; E565-T569 PolarHBondContact O-OG1 3.32Å |
| 566 | V | 77.2 | Confident | 71 | Confident | 87 Ų | 87 | 85.7 Ų | 85.7 | 53% | 0.527 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 165 | 170 | 0 | 0 | 0 | 0 | 110 | E562 I568 T569 D570 | E562-V566 VanDerWaalsContact O-CB 3.29Å; E562-V566 WeakPolarHBondContact O-CB 3.49Å; E562-V566 VanDerWaalsContact O-CG2 3.25Å; E562-V566 WeakPolarHBondContact O-CG2 3.25Å; E562-V566 PolarHBondContact O-N 2.89Å; V566-I568 PolarHBondContact O-N 3.16Å; V566-T569 PolarHBondContact O-N 2.72Å; V566-D570 WeakPolarHBondContact O-CB 3.45Å; V566-D570 PolarHBondContact O-N 3.18Å |
| 567 | K | 76.1 | Confident | 71.2 | Confident | 90 Ų | 90 | 87.7 Ų | 87.7 | 39% | 0.391 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 174.2 | -75.3 | 162.3 | -168.4 | 164.2 | 0 | 112.9 | E563 L564 L571 | E563-K567 VanDerWaalsContact O-CB 3.32Å; E563-K567 WeakPolarHBondContact O-CB 3.17Å; E563-K567 VanDerWaalsContact O-CD 3.25Å; E563-K567 WeakPolarHBondContact O-CD 3.19Å; E563-K567 WeakPolarHBondContact O-CG 3.38Å; E563-K567 PolarHBondContact O-N 3.39Å; E563-K567 WeakPolarHBondContact OE1-CE 3.44Å; E563-K567 IonicContact OE1-NZ 3.43Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å; E563-K567 IonicContact OE2-NZ 2.71Å; E563-K567 PolarHBondContact OE2-NZ 2.88Å; L564-K567 CarbonylContact O-C 3.58Å; L564-K567 PolarHBondContact O-N 3.03Å; K567-L571 WeakPolarHBondContact O-CB 3.21Å; K567-L571 WeakPolarHBondContact O-CD1 3.17Å; K567-L571 WeakPolarHBondContact O-CG 3.43Å; K567-L571 PolarHBondContact O-N 2.92Å |
| 568 | I | 70.2 | Confident | 71.4 | Confident | 89 Ų | 89 | 89.8 Ų | 89.8 | 46% | 0.456 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.2 | -38 | 174.9 | -74.3 | 162.3 | 0 | 0 | 0 | 109.7 | L564 E565 V566 L571 L572 | L564-I568 VanDerWaalsContact O-CB 3.27Å; L564-I568 WeakPolarHBondContact O-CB 3.31Å; L564-I568 WeakPolarHBondContact O-CD1 3.31Å; L564-I568 WeakPolarHBondContact O-CG1 3.27Å; L564-I568 PolarHBondContact O-N 3.5Å; E565-I568 PolarHBondContact O-N 2.91Å; V566-I568 PolarHBondContact O-N 3.16Å; I568-L571 CarbonylContact O-C 3.55Å; I568-L571 PolarHBondContact O-N 3.01Å; I568-L572 HydrophobicContact CG2-CD1 3.83Å; I568-L572 HydrophobicContact CG2-CG 4.26Å; I568-L572 VanDerWaalsContact O-CB 3.23Å; I568-L572 WeakPolarHBondContact O-CB 3.32Å; I568-L572 WeakPolarHBondContact O-CG 3.44Å; I568-L572 PolarHBondContact O-N 3.16Å |
| 569 | T | 72 | Confident | 71.3 | Confident | 89 Ų | 89 | 92 Ų | 92 | 55% | 0.546 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 174.4 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | E565 V566 L572 K573 | E565-T569 WeakPolarHBondContact O-CB 3.35Å; E565-T569 PolarHBondContact O-N 3.46Å; E565-T569 PolarHBondContact O-OG1 3.32Å; V566-T569 PolarHBondContact O-N 2.72Å; T569-L572 PolarHBondContact O-N 3.43Å; T569-K573 WeakPolarHBondContact O-CB 3.4Å; T569-K573 PolarHBondContact O-N 3.44Å |
| 570 | D | 74.2 | Confident | 71.2 | Confident | 85 Ų | 85 | 93 Ų | 93 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.8 | -35.1 | 171.8 | -89.9 | -26.4 | 0 | 0 | 0 | 111.7 | V566 K573 V574 | V566-D570 WeakPolarHBondContact O-CB 3.45Å; V566-D570 PolarHBondContact O-N 3.18Å; D570-K573 PolarHBondContact O-N 3.44Å; D570-V574 VanDerWaalsContact O-CB 3.24Å; D570-V574 WeakPolarHBondContact O-CB 3.38Å; D570-V574 WeakPolarHBondContact O-CG2 3.23Å; D570-V574 PolarHBondContact O-N 3.35Å |
| 571 | L | 69.9 | Low | 71.1 | Confident | 116 Ų | 116 | 93.3 Ų | 93.3 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.3 | -37.6 | 172.8 | -79.7 | 167.8 | 0 | 0 | 0 | 112.4 | K567 I568 V574 Q575 | K567-L571 WeakPolarHBondContact O-CB 3.21Å; K567-L571 WeakPolarHBondContact O-CD1 3.17Å; K567-L571 WeakPolarHBondContact O-CG 3.43Å; K567-L571 PolarHBondContact O-N 2.92Å; I568-L571 CarbonylContact O-C 3.55Å; I568-L571 PolarHBondContact O-N 3.01Å; L571-V574 CarbonylContact O-C 3.58Å; L571-V574 PolarHBondContact O-N 3.01Å; L571-Q575 VanDerWaalsContact O-CB 3.22Å; L571-Q575 WeakPolarHBondContact O-CB 3.45Å; L571-Q575 PolarHBondContact O-N 3.29Å |
| 572 | L | 72 | Confident | 70.8 | Confident | 97 Ų | 97 | 92.3 Ų | 92.3 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.5 | -33.5 | 173.6 | -76.2 | 171.2 | 0 | 0 | 0 | 111.2 | I568 T569 Q575 S576 | I568-L572 HydrophobicContact CG2-CD1 3.83Å; I568-L572 HydrophobicContact CG2-CG 4.26Å; I568-L572 VanDerWaalsContact O-CB 3.23Å; I568-L572 WeakPolarHBondContact O-CB 3.32Å; I568-L572 WeakPolarHBondContact O-CG 3.44Å; I568-L572 PolarHBondContact O-N 3.16Å; T569-L572 PolarHBondContact O-N 3.43Å; L572-Q575 CarbonylContact O-C 3.56Å; L572-Q575 PolarHBondContact O-N 2.84Å; L572-S576 WeakPolarHBondContact O-CB 3.43Å; L572-S576 PolarHBondContact O-N 3.33Å |
| 573 | K | 76.2 | Confident | 70.4 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 47% | 0.47 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -47 | 170.7 | -179.7 | -174.7 | 169.3 | -163.4 | 0 | 110.5 | T569 D570 Q575 S576 E577 | T569-K573 WeakPolarHBondContact O-CB 3.4Å; T569-K573 PolarHBondContact O-N 3.44Å; D570-K573 PolarHBondContact O-N 3.44Å; K573-Q575 VanDerWaalsContact C-N 3.26Å; K573-Q575 PolarHBondContact O-N 3.44Å; K573-S576 CarbonylContact O-C 3.51Å; K573-S576 WeakPolarHBondContact O-CA 3.38Å; K573-S576 WeakPolarHBondContact O-CB 3.47Å; K573-S576 PolarHBondContact O-N 3.33Å; K573-S576 PolarHBondContact O-OG 3.44Å; K573-E577 VanDerWaalsContact CE-OE1 3.25Å; K573-E577 WeakPolarHBondContact CE-OE1 3.44Å; K573-E577 WeakPolarHBondContact O-CB 3.24Å; K573-E577 WeakPolarHBondContact O-CG 3.32Å; K573-E577 PolarHBondContact O-N 3.01Å |
| 574 | V | 74.9 | Confident | 69.8 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -34.1 | 172.7 | 164.9 | 0 | 0 | 0 | 0 | 111 | D570 L571 E577 L578 | D570-V574 VanDerWaalsContact O-CB 3.24Å; D570-V574 WeakPolarHBondContact O-CB 3.38Å; D570-V574 WeakPolarHBondContact O-CG2 3.23Å; D570-V574 PolarHBondContact O-N 3.35Å; L571-V574 CarbonylContact O-C 3.58Å; L571-V574 PolarHBondContact O-N 3.01Å; V574-E577 CarbonylContact O-C 3.58Å; V574-E577 PolarHBondContact O-N 3.05Å; V574-L578 HydrophobicContact CG1-CD1 4.19Å; V574-L578 VanDerWaalsContact O-CB 3.28Å; V574-L578 WeakPolarHBondContact O-CB 3.45Å; V574-L578 PolarHBondContact O-N 3.44Å |
| 575 | Q | 68.6 | Low | 69.1 | Low | 94 Ų | 94 | 89.2 Ų | 89.2 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 170.1 | -177.7 | 177.4 | -24.7 | 0 | 0 | 110.8 | L571 L572 K573 E577 L578 E579 | L571-Q575 VanDerWaalsContact O-CB 3.22Å; L571-Q575 WeakPolarHBondContact O-CB 3.45Å; L571-Q575 PolarHBondContact O-N 3.29Å; L572-Q575 CarbonylContact O-C 3.56Å; L572-Q575 PolarHBondContact O-N 2.84Å; K573-Q575 VanDerWaalsContact C-N 3.26Å; K573-Q575 PolarHBondContact O-N 3.44Å; Q575-E577 VanDerWaalsContact C-N 3.31Å; Q575-E577 PolarHBondContact O-N 2.99Å; Q575-L578 CarbonylContact O-C 3.59Å; Q575-L578 PolarHBondContact O-N 3.3Å; Q575-E579 HydrophobicContact CG-CG 4.3Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.29Å; Q575-E579 PolarHBondContact NE2-OE1 3.39Å; Q575-E579 VanDerWaalsContact O-CB 3.32Å; Q575-E579 WeakPolarHBondContact O-CB 3.39Å; Q575-E579 WeakPolarHBondContact O-CG 3.47Å; Q575-E579 PolarHBondContact O-N 3.46Å |
| 576 | S | 73 | Confident | 68.6 | Low | 58 Ų | 58 | 92.7 Ų | 92.7 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 174.2 | 84.9 | 0 | 0 | 0 | 0 | 112.1 | L572 K573 T580 | L572-S576 WeakPolarHBondContact O-CB 3.43Å; L572-S576 PolarHBondContact O-N 3.33Å; K573-S576 CarbonylContact O-C 3.51Å; K573-S576 WeakPolarHBondContact O-CA 3.38Å; K573-S576 WeakPolarHBondContact O-CB 3.47Å; K573-S576 PolarHBondContact O-N 3.33Å; K573-S576 PolarHBondContact O-OG 3.44Å; S576-T580 VanDerWaalsContact O-CB 3.3Å; S576-T580 WeakPolarHBondContact O-CB 3.34Å; S576-T580 VanDerWaalsContact O-CG2 3.28Å; S576-T580 WeakPolarHBondContact O-CG2 3.48Å; S576-T580 PolarHBondContact O-N 2.88Å; S576-T580 PolarHBondContact O-OG1 2.72Å |
| 577 | E | 72.5 | Confident | 67.5 | Low | 88 Ų | 88 | 95.1 Ų | 95.1 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.4 | -34.4 | 172.5 | -71.3 | 179 | -160.7 | 0 | 0 | 111.1 | K573 V574 Q575 T580 M581 | K573-E577 VanDerWaalsContact CE-OE1 3.25Å; K573-E577 WeakPolarHBondContact CE-OE1 3.44Å; K573-E577 WeakPolarHBondContact O-CB 3.24Å; K573-E577 WeakPolarHBondContact O-CG 3.32Å; K573-E577 PolarHBondContact O-N 3.01Å; V574-E577 CarbonylContact O-C 3.58Å; V574-E577 PolarHBondContact O-N 3.05Å; Q575-E577 VanDerWaalsContact C-N 3.31Å; Q575-E577 PolarHBondContact O-N 2.99Å; E577-T580 WeakPolarHBondContact CA-OG1 3.32Å; E577-T580 PolarHBondContact O-OG1 3.15Å; E577-M581 HydrophobicContact CB-CE 4.38Å; E577-M581 WeakPolarHBondContact O-CB 3.36Å; E577-M581 WeakPolarHBondContact O-CE 3.3Å; E577-M581 WeakPolarHBondContact O-CG 3.39Å; E577-M581 PolarHBondContact O-N 3.4Å |
| 578 | L | 70.7 | Confident | 66.5 | Low | 98 Ų | 98 | 94.9 Ų | 94.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 170.8 | -99.7 | 156.7 | 0 | 0 | 0 | 112.6 | V574 Q575 M581 V582 | V574-L578 HydrophobicContact CG1-CD1 4.19Å; V574-L578 VanDerWaalsContact O-CB 3.28Å; V574-L578 WeakPolarHBondContact O-CB 3.45Å; V574-L578 PolarHBondContact O-N 3.44Å; Q575-L578 CarbonylContact O-C 3.59Å; Q575-L578 PolarHBondContact O-N 3.3Å; L578-M581 CarbonylContact O-C 3.55Å; L578-M581 PolarHBondContact O-N 2.72Å; L578-V582 VanDerWaalsContact O-CB 3.28Å; L578-V582 WeakPolarHBondContact O-CB 3.39Å; L578-V582 WeakPolarHBondContact O-CG2 3.34Å; L578-V582 PolarHBondContact O-N 2.97Å |
| 579 | E | 63.5 | Low | 65.7 | Low | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.8 | -39.4 | 178.2 | -77.2 | -179.4 | -160.7 | 0 | 0 | 111 | Q575 V582 S583 | Q575-E579 HydrophobicContact CG-CG 4.3Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.29Å; Q575-E579 PolarHBondContact NE2-OE1 3.39Å; Q575-E579 VanDerWaalsContact O-CB 3.32Å; Q575-E579 WeakPolarHBondContact O-CB 3.39Å; Q575-E579 WeakPolarHBondContact O-CG 3.47Å; Q575-E579 PolarHBondContact O-N 3.46Å; E579-V582 PolarHBondContact O-N 2.8Å; E579-S583 VanDerWaalsContact O-CB 3.26Å; E579-S583 WeakPolarHBondContact O-CB 3.38Å; E579-S583 PolarHBondContact O-N 2.85Å |
| 580 | T | 68.4 | Low | 65 | Low | 76 Ų | 76 | 96.4 Ų | 96.4 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -34.5 | 168.5 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | S576 E577 S583 N584 | S576-T580 VanDerWaalsContact O-CB 3.3Å; S576-T580 WeakPolarHBondContact O-CB 3.34Å; S576-T580 VanDerWaalsContact O-CG2 3.28Å; S576-T580 WeakPolarHBondContact O-CG2 3.48Å; S576-T580 PolarHBondContact O-N 2.88Å; S576-T580 PolarHBondContact O-OG1 2.72Å; E577-T580 WeakPolarHBondContact CA-OG1 3.32Å; E577-T580 PolarHBondContact O-OG1 3.15Å; T580-S583 PolarHBondContact O-N 3.47Å; T580-N584 WeakPolarHBondContact O-CB 3.43Å; T580-N584 PolarHBondContact O-N 3.44Å; T580-N584 PolarHBondContact O-ND2 2.8Å |
| 581 | M | 67.1 | Low | 64.3 | Low | 100 Ų | 100 | 99.2 Ų | 99.2 | 49% | 0.493 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 168.5 | -82.3 | -170.9 | -84.8 | 0 | 0 | 113 | E577 L578 N585 | E577-M581 HydrophobicContact CB-CE 4.38Å; E577-M581 WeakPolarHBondContact O-CB 3.36Å; E577-M581 WeakPolarHBondContact O-CE 3.3Å; E577-M581 WeakPolarHBondContact O-CG 3.39Å; E577-M581 PolarHBondContact O-N 3.4Å; L578-M581 CarbonylContact O-C 3.55Å; L578-M581 PolarHBondContact O-N 2.72Å; M581-N585 WeakPolarHBondContact O-CB 3.46Å; M581-N585 PolarHBondContact O-N 3.21Å; M581-N585 PolarHBondContact O-ND2 3.41Å |
| 582 | V | 63.5 | Low | 63.4 | Low | 79 Ų | 79 | 96.9 Ų | 96.9 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.2 | -34.5 | 174.7 | 163.2 | 0 | 0 | 0 | 0 | 111 | L578 E579 N585 K586 | L578-V582 VanDerWaalsContact O-CB 3.28Å; L578-V582 WeakPolarHBondContact O-CB 3.39Å; L578-V582 WeakPolarHBondContact O-CG2 3.34Å; L578-V582 PolarHBondContact O-N 2.97Å; E579-V582 PolarHBondContact O-N 2.8Å; V582-N585 PolarHBondContact O-N 2.94Å; V582-K586 PolarHBondContact O-N 3.3Å |
| 583 | S | 61.6 | Low | 62.9 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 172 | -162.7 | 0 | 0 | 0 | 0 | 111.6 | E579 T580 K586 Q587 | E579-S583 VanDerWaalsContact O-CB 3.26Å; E579-S583 WeakPolarHBondContact O-CB 3.38Å; E579-S583 PolarHBondContact O-N 2.85Å; T580-S583 PolarHBondContact O-N 3.47Å; S583-K586 WeakPolarHBondContact O-CB 3.29Å; S583-K586 PolarHBondContact O-N 3.38Å; S583-Q587 PolarHBondContact O-N 3.06Å; S583-Q587 VanDerWaalsContact O-N 3.12Å |
| 584 | N | 57.9 | Low | 62 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | 171.5 | -73.1 | -33.4 | 0 | 0 | 0 | 111.9 | T580 Q587 L588 | T580-N584 WeakPolarHBondContact O-CB 3.43Å; T580-N584 PolarHBondContact O-N 3.44Å; T580-N584 PolarHBondContact O-ND2 2.8Å; N584-Q587 CarbonylContact O-C 3.49Å; N584-Q587 WeakPolarHBondContact O-CA 2.95Å; N584-Q587 WeakPolarHBondContact O-CB 3.44Å; N584-Q587 PolarHBondContact O-N 2.86Å; N584-Q587 VanDerWaalsContact O-N 3.14Å; N584-L588 PolarHBondContact O-N 2.96Å |
| 585 | N | 55.3 | Low | 60.9 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.1 | -29.8 | 172.5 | -79.8 | -40.8 | 0 | 0 | 0 | 112.3 | M581 V582 Q587 L588 H589 | M581-N585 WeakPolarHBondContact O-CB 3.46Å; M581-N585 PolarHBondContact O-N 3.21Å; M581-N585 PolarHBondContact O-ND2 3.41Å; V582-N585 PolarHBondContact O-N 2.94Å; N585-Q587 VanDerWaalsContact C-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.1Å; N585-L588 PolarHBondContact O-N 3.12Å; N585-H589 WeakPolarHBondContact O-CB 3.31Å; N585-H589 PolarHBondContact O-N 2.8Å |
| 586 | K | 56.4 | Low | 60.4 | Low | 155 Ų | 155 | 103.3 Ų | 103.3 | 67% | 0.674 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 165.3 | -83.9 | 175.8 | 176.2 | 170.9 | 0 | 111.6 | V582 S583 | V582-K586 PolarHBondContact O-N 3.3Å; S583-K586 WeakPolarHBondContact O-CB 3.29Å; S583-K586 PolarHBondContact O-N 3.38Å |
| 587 | Q | 53.8 | Low | 59.6 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.3 | -32.4 | 171.1 | -64.2 | -165.9 | 10.7 | 0 | 0 | 113.4 | S583 N584 N585 H589 K591 | S583-Q587 PolarHBondContact O-N 3.06Å; S583-Q587 VanDerWaalsContact O-N 3.12Å; N584-Q587 CarbonylContact O-C 3.49Å; N584-Q587 WeakPolarHBondContact O-CA 2.95Å; N584-Q587 WeakPolarHBondContact O-CB 3.44Å; N584-Q587 PolarHBondContact O-N 2.86Å; N584-Q587 VanDerWaalsContact O-N 3.14Å; N585-Q587 VanDerWaalsContact C-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.1Å; Q587-H589 VanDerWaalsContact C-N 3.34Å; Q587-K591 PolarHBondContact O-N 3.44Å |
| 588 | L | 54.2 | Low | 58.7 | Low | 86 Ų | 86 | 111.9 Ų | 111.9 | 45% | 0.45 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -39.1 | 174.5 | -146.9 | 83.9 | 0 | 0 | 0 | 111 | N584 N585 D590 K591 D592 | N584-L588 PolarHBondContact O-N 2.96Å; N585-L588 PolarHBondContact O-N 3.12Å; L588-D590 PolarHBondContact O-N 3.41Å; L588-K591 CarbonylContact O-C 3.56Å; L588-K591 WeakPolarHBondContact O-CA 3.47Å; L588-K591 WeakPolarHBondContact O-CB 3.28Å; L588-K591 PolarHBondContact O-N 2.79Å; L588-D592 PolarHBondContact O-N 3.24Å |
| 589 | H | 55 | Low | 57.6 | Low | 124 Ų | 124 | 114.7 Ų | 114.7 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.3 | -26.5 | -177.3 | -150.9 | -29.2 | 0 | 0 | 0 | 113.5 | N585 Q587 K593 | N585-H589 WeakPolarHBondContact O-CB 3.31Å; N585-H589 PolarHBondContact O-N 2.8Å; Q587-H589 VanDerWaalsContact C-N 3.34Å; H589-K593 WeakPolarHBondContact O-CG 3.33Å; H589-K593 PolarHBondContact O-N 3.33Å |
| 590 | D | 57.3 | Low | 56.7 | Low | 85 Ų | 85 | 113.1 Ų | 113.1 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -85.5 | -20.7 | 171.4 | -82.3 | -16.7 | 0 | 0 | 0 | 113.5 | L588 K593 Q594 | L588-D590 PolarHBondContact O-N 3.41Å; D590-K593 WeakPolarHBondContact OD1-CD 3.49Å; D590-K593 WeakPolarHBondContact OD1-CE 3.31Å; D590-K593 IonicContact OD1-NZ 2.72Å; D590-K593 PolarHBondContact OD1-NZ 2.72Å; D590-Q594 WeakPolarHBondContact O-CG 3.26Å; D590-Q594 PolarHBondContact O-N 3.09Å |
| 591 | K | 57.8 | Low | 56.1 | Low | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.9 | -40.1 | 166.1 | -82.9 | 177.2 | 175.8 | 168.9 | 0 | 111.9 | Q587 L588 K593 Q594 L595 | Q587-K591 PolarHBondContact O-N 3.44Å; L588-K591 CarbonylContact O-C 3.56Å; L588-K591 WeakPolarHBondContact O-CA 3.47Å; L588-K591 WeakPolarHBondContact O-CB 3.28Å; L588-K591 PolarHBondContact O-N 2.79Å; K591-K593 VanDerWaalsContact C-N 3.33Å; K591-K593 PolarHBondContact O-N 3.23Å; K591-Q594 CarbonylContact O-C 3.45Å; K591-Q594 WeakPolarHBondContact O-CA 2.95Å; K591-Q594 WeakPolarHBondContact O-CB 3.45Å; K591-Q594 PolarHBondContact O-N 3.04Å; K591-L595 PolarHBondContact O-N 3.38Å |
| 592 | D | 52.5 | Low | 55.1 | Low | 68 Ų | 68 | 115.3 Ų | 115.3 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -33.4 | 175.6 | -71.6 | -33.4 | 0 | 0 | 0 | 112.1 | L588 Q594 L595 I596 | L588-D592 PolarHBondContact O-N 3.24Å; D592-Q594 PolarHBondContact O-N 2.92Å; D592-L595 PolarHBondContact O-N 3.04Å; D592-I596 WeakPolarHBondContact O-CB 3.13Å; D592-I596 VanDerWaalsContact O-CG1 3.28Å; D592-I596 WeakPolarHBondContact O-CG1 3.12Å; D592-I596 PolarHBondContact O-N 2.75Å |
| 593 | K | 60.1 | Low | 54.5 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.2 | -28.2 | 166.8 | -79.7 | 178.9 | -161.8 | 153.3 | 0 | 113.7 | H589 D590 K591 | H589-K593 WeakPolarHBondContact O-CG 3.33Å; H589-K593 PolarHBondContact O-N 3.33Å; D590-K593 WeakPolarHBondContact OD1-CD 3.49Å; D590-K593 WeakPolarHBondContact OD1-CE 3.31Å; D590-K593 IonicContact OD1-NZ 2.72Å; D590-K593 PolarHBondContact OD1-NZ 2.72Å; K591-K593 VanDerWaalsContact C-N 3.33Å; K591-K593 PolarHBondContact O-N 3.23Å |
| 594 | Q | 57.7 | Low | 53.9 | Low | 130 Ų | 130 | 123 Ų | 123 | 61% | 0.607 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -81.7 | -38.3 | 173.9 | -67.8 | 178.2 | 24.1 | 0 | 0 | 111.4 | D590 K591 D592 K597 H598 | D590-Q594 WeakPolarHBondContact O-CG 3.26Å; D590-Q594 PolarHBondContact O-N 3.09Å; K591-Q594 CarbonylContact O-C 3.45Å; K591-Q594 WeakPolarHBondContact O-CA 2.95Å; K591-Q594 WeakPolarHBondContact O-CB 3.45Å; K591-Q594 PolarHBondContact O-N 3.04Å; D592-Q594 PolarHBondContact O-N 2.92Å; Q594-K597 WeakPolarHBondContact O-CB 3.13Å; Q594-K597 PolarHBondContact O-N 3.48Å; Q594-H598 PolarHBondContact O-N 3.42Å |
| 595 | L | 52.7 | Low | 53.6 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.5 | -43.2 | 179.3 | -159.2 | 71.2 | 0 | 0 | 0 | 112.3 | K591 D592 K597 H598 L599 | K591-L595 PolarHBondContact O-N 3.38Å; D592-L595 PolarHBondContact O-N 3.04Å; L595-K597 PolarHBondContact O-N 2.78Å; L595-H598 PolarHBondContact O-N 3.41Å; L595-L599 PolarHBondContact O-N 2.76Å |
| 596 | I | 56.5 | Low | 53.7 | Low | 138 Ų | 138 | 124.9 Ų | 124.9 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.2 | -29.2 | 175 | -69.3 | 167.8 | 0 | 0 | 0 | 111.6 | D592 | D592-I596 WeakPolarHBondContact O-CB 3.13Å; D592-I596 VanDerWaalsContact O-CG1 3.28Å; D592-I596 WeakPolarHBondContact O-CG1 3.12Å; D592-I596 PolarHBondContact O-N 2.75Å |
| 597 | K | 58 | Low | 53.5 | Low | 171 Ų | 171 | 127.4 Ų | 127.4 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -29.3 | 173.3 | -108.9 | 177.3 | 177.8 | 176.3 | 0 | 113.4 | Q594 L595 T600 | Q594-K597 WeakPolarHBondContact O-CB 3.13Å; Q594-K597 PolarHBondContact O-N 3.48Å; L595-K597 PolarHBondContact O-N 2.78Å; K597-T600 PolarHBondContact O-OG1 2.79Å |
| 598 | H | 52.6 | Low | 53.9 | Low | 155 Ų | 155 | 124 Ų | 124 | 72% | 0.718 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -92.4 | -10.6 | -173.2 | -94.4 | -68 | 0 | 0 | 0 | 115.7 | Q594 L595 T600 | Q594-H598 PolarHBondContact O-N 3.42Å; L595-H598 PolarHBondContact O-N 3.41Å; H598-T600 PolarHBondContact O-N 3.27Å |
| 599 | L | 47.8 | Very low | 54.2 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -74.8 | 44.5 | 161.5 | -76.7 | 165.5 | 0 | 0 | 0 | 111.3 | L595 N601 | L595-L599 PolarHBondContact O-N 2.76Å; L599-N601 PolarHBondContact O-N 2.84Å; L599-N601 VanDerWaalsContact O-N 3.14Å |
| 600 | T | 45.2 | Very low | 54.5 | Low | 80 Ų | 80 | 122.3 Ų | 122.3 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | trans | -65.2 | 105.9 | -175.3 | -51.1 | 0 | 0 | 0 | 0 | 110.7 | K597 H598 E602 | K597-T600 PolarHBondContact O-OG1 2.79Å; H598-T600 PolarHBondContact O-N 3.27Å; T600-E602 VanDerWaalsContact C-N 3.29Å; T600-E602 PolarHBondContact O-N 2.99Å | ||
| 601 | N | 54.8 | Low | 55.1 | Low | 52 Ų | 52 | 124.7 Ų | 124.7 | 28% | 0.278 | 60% | 0.6 | S | S | . | * | 47.2 | 44.8 | 125.1 | -141.5 | -25.3 | 0 | 0 | 0 | 115.9 | L599 K606 Q609 | L599-N601 PolarHBondContact O-N 2.84Å; L599-N601 VanDerWaalsContact O-N 3.14Å; N601-K606 WeakPolarHBondContact O-CD 3.49Å; N601-K606 WeakPolarHBondContact O-CE 3.17Å; N601-K606 PolarHBondContact O-NZ 3.01Å; N601-K606 WeakPolarHBondContact OD1-CA 3.28Å; N601-K606 WeakPolarHBondContact OD1-CB 3.34Å; N601-K606 WeakPolarHBondContact OD1-CG 3.35Å; N601-Q609 PolarHBondContact ND2-OE1 3.28Å | |||
| 602 | E | 47.4 | Very low | 55.6 | Low | 171 Ų | 171 | 122.4 Ų | 122.4 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | trans | -109.3 | 47.8 | -177 | -159.8 | 168.9 | -128.5 | 0 | 0 | 112 | T600 | T600-E602 VanDerWaalsContact C-N 3.29Å; T600-E602 PolarHBondContact O-N 2.99Å | ||
| 603 | Q | 50 | Low | 56.3 | Low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 60% | 0.602 | S | S | * | * | S | Bend | 162.9 | -41.8 | 114.7 | -85 | 168.3 | 37 | 0 | 0 | 111.8 | |||
| 604 | N | 48.8 | Very low | 56.9 | Low | 157 Ų | 157 | 126.2 Ų | 126.2 | 84% | 0.84 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -81.4 | -35.8 | -162.3 | -76.6 | -23.4 | 0 | 0 | 0 | 116.3 | K606 | N604-K606 VanDerWaalsContact C-N 3.34Š|
| 605 | E | 51.2 | Low | 57.7 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -83.9 | -12.2 | 178.3 | -135.9 | 179.5 | -139 | 0 | 0 | 113 | Y607 S608 Q609 | E605-Y607 PolarHBondContact O-N 2.82Å; E605-Y607 VanDerWaalsContact O-N 3.08Å; E605-S608 PolarHBondContact O-N 3.17Å; E605-Q609 HydrophobicContact CB-CG 4.16Å; E605-Q609 HydrophobicContact CG-CG 3.98Å; E605-Q609 WeakPolarHBondContact O-CB 3.05Å; E605-Q609 WeakPolarHBondContact O-CG 3.49Å; E605-Q609 PolarHBondContact O-N 3.33Å; E605-Q609 PolarHBondContact OE2-NE2 3.06Å |
| 606 | K | 58.4 | Low | 58.6 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 44% | 0.443 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.3 | -26.9 | -172.4 | -145.7 | 165.2 | -156.3 | 155.9 | 0 | 114.6 | N601 N604 | N601-K606 WeakPolarHBondContact O-CD 3.49Å; N601-K606 WeakPolarHBondContact O-CE 3.17Å; N601-K606 PolarHBondContact O-NZ 3.01Å; N601-K606 WeakPolarHBondContact OD1-CA 3.28Å; N601-K606 WeakPolarHBondContact OD1-CB 3.34Å; N601-K606 WeakPolarHBondContact OD1-CG 3.35Å; N604-K606 VanDerWaalsContact C-N 3.34Å |
| 607 | Y | 52.7 | Low | 59.4 | Low | 208 Ų | 208 | 121.1 Ų | 121.1 | 82% | 0.816 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -85 | -35.8 | 173.2 | -101.8 | -87 | 0 | 0 | 0 | 113.3 | E605 F611 | E605-Y607 PolarHBondContact O-N 2.82Å; E605-Y607 VanDerWaalsContact O-N 3.08Å; Y607-F611 PolarHBondContact O-N 2.72Å |
| 608 | S | 61.5 | Low | 60.1 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.8 | -38.9 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 112 | E605 F611 N612 | E605-S608 PolarHBondContact O-N 3.17Å; S608-F611 PolarHBondContact O-N 3.23Å; S608-N612 VanDerWaalsContact O-CB 3.31Å; S608-N612 WeakPolarHBondContact O-CB 3.31Å; S608-N612 VanDerWaalsContact O-CG 3.31Å; S608-N612 PolarHBondContact O-N 2.81Å |
| 609 | Q | 60.2 | Low | 61.2 | Low | 63 Ų | 63 | 116.2 Ų | 116.2 | 29% | 0.294 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60 | -51.1 | 171.7 | -73.5 | -175.9 | -4.2 | 0 | 0 | 110.3 | N601 E605 F611 N612 E613 | N601-Q609 PolarHBondContact ND2-OE1 3.28Å; E605-Q609 HydrophobicContact CB-CG 4.16Å; E605-Q609 HydrophobicContact CG-CG 3.98Å; E605-Q609 WeakPolarHBondContact O-CB 3.05Å; E605-Q609 WeakPolarHBondContact O-CG 3.49Å; E605-Q609 PolarHBondContact O-N 3.33Å; E605-Q609 PolarHBondContact OE2-NE2 3.06Å; Q609-F611 VanDerWaalsContact C-N 3.3Å; Q609-F611 PolarHBondContact O-N 3Å; Q609-N612 CarbonylContact O-C 3.52Å; Q609-N612 PolarHBondContact O-N 3.37Å; Q609-N612 VanDerWaalsContact O-N 3.13Å; Q609-E613 VanDerWaalsContact O-CB 3.27Å; Q609-E613 WeakPolarHBondContact O-CB 3.34Å; Q609-E613 VanDerWaalsContact O-CG 3.28Å; Q609-E613 WeakPolarHBondContact O-CG 3.5Å; Q609-E613 PolarHBondContact O-N 2.84Å |
| 610 | L | 62 | Low | 62.2 | Low | 112 Ų | 112 | 113.8 Ų | 113.8 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59 | -36.6 | 178.2 | -97 | 168.1 | 0 | 0 | 0 | 113.8 | Y614 | L610-Y614 WeakPolarHBondContact O-CB 3.25Å; L610-Y614 PolarHBondContact O-N 2.97Å |
| 611 | F | 68.4 | Low | 63.4 | Low | 135 Ų | 135 | 115.2 Ų | 115.2 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.8 | -38.1 | 176.2 | -169.5 | -101.6 | 0 | 0 | 0 | 112.4 | Y607 S608 Q609 N615 | Y607-F611 PolarHBondContact O-N 2.72Å; S608-F611 PolarHBondContact O-N 3.23Å; Q609-F611 VanDerWaalsContact C-N 3.3Å; Q609-F611 PolarHBondContact O-N 3Å; F611-N615 VanDerWaalsContact CE1-ND2 3.28Å; F611-N615 WeakPolarHBondContact CE1-ND2 3.5Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.47Å; F611-N615 PolarHBondContact O-N 2.99Å; F611-N615 VanDerWaalsContact O-N 3.13Å; F611-N615 PolarHBondContact O-ND2 2.86Å |
| 612 | N | 68.3 | Low | 64.3 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.8 | -32.8 | 174.2 | -74.1 | -16.1 | 0 | 0 | 0 | 112.1 | S608 Q609 N616 | S608-N612 VanDerWaalsContact O-CB 3.31Å; S608-N612 WeakPolarHBondContact O-CB 3.31Å; S608-N612 VanDerWaalsContact O-CG 3.31Å; S608-N612 PolarHBondContact O-N 2.81Å; Q609-N612 CarbonylContact O-C 3.52Å; Q609-N612 PolarHBondContact O-N 3.37Å; Q609-N612 VanDerWaalsContact O-N 3.13Å; N612-N616 WeakPolarHBondContact O-CA 3.08Å; N612-N616 WeakPolarHBondContact O-CB 3.44Å; N612-N616 PolarHBondContact O-N 3.1Å |
| 613 | E | 67.9 | Low | 65.4 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 53% | 0.528 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 172.2 | -78.2 | 178 | 155 | 0 | 0 | 110.5 | Q609 N615 N616 L617 | Q609-E613 VanDerWaalsContact O-CB 3.27Å; Q609-E613 WeakPolarHBondContact O-CB 3.34Å; Q609-E613 VanDerWaalsContact O-CG 3.28Å; Q609-E613 WeakPolarHBondContact O-CG 3.5Å; Q609-E613 PolarHBondContact O-N 2.84Å; E613-N615 VanDerWaalsContact C-N 3.35Å; E613-N615 PolarHBondContact O-N 2.76Å; E613-N616 PolarHBondContact O-N 2.91Å; E613-L617 WeakPolarHBondContact O-CA 3.42Å; E613-L617 WeakPolarHBondContact O-CB 3.43Å; E613-L617 PolarHBondContact O-N 3.28Å |
| 614 | Y | 72.7 | Confident | 66.4 | Low | 158 Ų | 158 | 110.2 Ų | 110.2 | 62% | 0.62 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 175 | -176.1 | -95.5 | 0 | 0 | 0 | 111.9 | L610 N618 | L610-Y614 WeakPolarHBondContact O-CB 3.25Å; L610-Y614 PolarHBondContact O-N 2.97Å; Y614-N618 VanDerWaalsContact O-CB 3.3Å; Y614-N618 WeakPolarHBondContact O-CB 3.34Å; Y614-N618 PolarHBondContact O-N 3.31Å |
| 615 | N | 75.6 | Confident | 67.6 | Low | 72 Ų | 72 | 108 Ų | 108 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.5 | -38.9 | 178.4 | -73 | -68.4 | 0 | 0 | 0 | 112.8 | F611 E613 K619 | F611-N615 VanDerWaalsContact CE1-ND2 3.28Å; F611-N615 WeakPolarHBondContact CE1-ND2 3.5Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.47Å; F611-N615 PolarHBondContact O-N 2.99Å; F611-N615 VanDerWaalsContact O-N 3.13Å; F611-N615 PolarHBondContact O-ND2 2.86Å; E613-N615 VanDerWaalsContact C-N 3.35Å; E613-N615 PolarHBondContact O-N 2.76Å; N615-K619 WeakPolarHBondContact O-CB 3.4Å; N615-K619 PolarHBondContact O-N 2.69Å |
| 616 | N | 71.3 | Confident | 68.7 | Low | 101 Ų | 101 | 108.5 Ų | 108.5 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.5 | -34.4 | 173.6 | -83.1 | -17.7 | 0 | 0 | 0 | 112 | N612 E613 Q620 | N612-N616 WeakPolarHBondContact O-CA 3.08Å; N612-N616 WeakPolarHBondContact O-CB 3.44Å; N612-N616 PolarHBondContact O-N 3.1Å; E613-N616 PolarHBondContact O-N 2.91Å; N616-Q620 WeakPolarHBondContact O-CA 3.19Å; N616-Q620 WeakPolarHBondContact O-CB 3.49Å; N616-Q620 VanDerWaalsContact O-CG 3.23Å; N616-Q620 WeakPolarHBondContact O-CG 3.46Å; N616-Q620 PolarHBondContact O-N 2.91Å |
| 617 | L | 72.4 | Confident | 69.2 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.9 | -38 | 177.4 | -170.3 | 71.4 | 0 | 0 | 0 | 110.9 | E613 L621 | E613-L617 WeakPolarHBondContact O-CA 3.42Å; E613-L617 WeakPolarHBondContact O-CB 3.43Å; E613-L617 PolarHBondContact O-N 3.28Å; L617-L621 WeakPolarHBondContact O-CB 3.36Å; L617-L621 PolarHBondContact O-N 2.94Å |
| 618 | N | 73 | Confident | 70 | Confident | 96 Ų | 96 | 104.5 Ų | 104.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 173.5 | -165.7 | 47.4 | 0 | 0 | 0 | 111.7 | Y614 L621 L622 | Y614-N618 VanDerWaalsContact O-CB 3.3Å; Y614-N618 WeakPolarHBondContact O-CB 3.34Å; Y614-N618 PolarHBondContact O-N 3.31Å; N618-L621 PolarHBondContact O-N 3.48Å; N618-L622 PolarHBondContact O-N 2.6Å; N618-L622 VanDerWaalsContact O-N 3.15Å |
| 619 | K | 75.4 | Confident | 70.7 | Confident | 127 Ų | 127 | 108.1 Ų | 108.1 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.1 | -44.1 | 171.9 | -166.4 | -176.1 | 175.1 | -169.4 | 0 | 111.6 | N615 L621 L622 D623 | N615-K619 WeakPolarHBondContact O-CB 3.4Å; N615-K619 PolarHBondContact O-N 2.69Å; K619-L621 VanDerWaalsContact C-N 3.27Å; K619-L621 PolarHBondContact O-N 3.4Å; K619-L622 CarbonylContact O-C 3.59Å; K619-L622 PolarHBondContact O-N 2.91Å; K619-D623 WeakPolarHBondContact CE-OD2 3.23Å; K619-D623 WeakPolarHBondContact O-CB 3.36Å; K619-D623 VanDerWaalsContact O-CG 3.26Å; K619-D623 PolarHBondContact O-N 3.19Å |
| 620 | Q | 69.1 | Low | 71.4 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 170.3 | -82.5 | -179.5 | -24.1 | 0 | 0 | 111.4 | N616 L622 N624 | N616-Q620 WeakPolarHBondContact O-CA 3.19Å; N616-Q620 WeakPolarHBondContact O-CB 3.49Å; N616-Q620 VanDerWaalsContact O-CG 3.23Å; N616-Q620 WeakPolarHBondContact O-CG 3.46Å; N616-Q620 PolarHBondContact O-N 2.91Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; Q620-L622 PolarHBondContact O-N 3.48Å; Q620-N624 WeakPolarHBondContact O-CA 3.18Å; Q620-N624 WeakPolarHBondContact O-CB 3.46Å; Q620-N624 PolarHBondContact O-N 3.09Å; Q620-N624 PolarHBondContact O-ND2 3.48Å; Q620-N624 PolarHBondContact O-OD1 2.68Å |
| 621 | L | 70.3 | Confident | 71.8 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.6 | -30.5 | 174.5 | -93.5 | 162.5 | 0 | 0 | 0 | 112.8 | L617 N618 K619 N625 | L617-L621 WeakPolarHBondContact O-CB 3.36Å; L617-L621 PolarHBondContact O-N 2.94Å; N618-L621 PolarHBondContact O-N 3.48Å; K619-L621 VanDerWaalsContact C-N 3.27Å; K619-L621 PolarHBondContact O-N 3.4Å; L621-N625 VanDerWaalsContact O-CB 3.29Å; L621-N625 WeakPolarHBondContact O-CB 3.43Å; L621-N625 PolarHBondContact O-N 2.87Å |
| 622 | L | 74.5 | Confident | 71.9 | Confident | 118 Ų | 118 | 107 Ų | 107 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.7 | -51.3 | 174 | -156 | 72.3 | 0 | 0 | 0 | 111.2 | N618 K619 Q620 N624 N625 E626 | N618-L622 PolarHBondContact O-N 2.6Å; N618-L622 VanDerWaalsContact O-N 3.15Å; K619-L622 CarbonylContact O-C 3.59Å; K619-L622 PolarHBondContact O-N 2.91Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; Q620-L622 PolarHBondContact O-N 3.48Å; L622-N624 VanDerWaalsContact C-N 3.33Å; L622-N624 PolarHBondContact O-N 2.76Å; L622-N625 PolarHBondContact O-N 3.21Å; L622-E626 PolarHBondContact O-N 2.88Å |
| 623 | D | 70 | Confident | 72.3 | Confident | 68 Ų | 68 | 107.2 Ų | 107.2 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177.7 | -65 | -8 | 0 | 0 | 0 | 110.9 | K619 N625 Q627 | K619-D623 WeakPolarHBondContact CE-OD2 3.23Å; K619-D623 WeakPolarHBondContact O-CB 3.36Å; K619-D623 VanDerWaalsContact O-CG 3.26Å; K619-D623 PolarHBondContact O-N 3.19Å; D623-N625 VanDerWaalsContact C-N 3.34Å; D623-Q627 WeakPolarHBondContact O-CB 3.49Å; D623-Q627 VanDerWaalsContact O-CG 3.32Å; D623-Q627 WeakPolarHBondContact O-CG 3.23Å; D623-Q627 PolarHBondContact O-N 2.76Å |
| 624 | N | 71.4 | Confident | 72.6 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.9 | -29.9 | 173.9 | -72 | -15.5 | 0 | 0 | 0 | 112.1 | Q620 L622 L628 | Q620-N624 WeakPolarHBondContact O-CA 3.18Å; Q620-N624 WeakPolarHBondContact O-CB 3.46Å; Q620-N624 PolarHBondContact O-N 3.09Å; Q620-N624 PolarHBondContact O-ND2 3.48Å; Q620-N624 PolarHBondContact O-OD1 2.68Å; L622-N624 VanDerWaalsContact C-N 3.33Å; L622-N624 PolarHBondContact O-N 2.76Å; N624-L628 WeakPolarHBondContact O-CB 3.32Å; N624-L628 PolarHBondContact O-N 3.41Å |
| 625 | N | 74.3 | Confident | 72.6 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -79.2 | -35.8 | 178.7 | -162.8 | 9.3 | 0 | 0 | 0 | 111 | L621 L622 D623 L628 K629 | L621-N625 VanDerWaalsContact O-CB 3.29Å; L621-N625 WeakPolarHBondContact O-CB 3.43Å; L621-N625 PolarHBondContact O-N 2.87Å; L622-N625 PolarHBondContact O-N 3.21Å; D623-N625 VanDerWaalsContact C-N 3.34Å; N625-L628 PolarHBondContact O-N 2.91Å; N625-K629 PolarHBondContact O-N 2.86Å; N625-K629 VanDerWaalsContact O-N 3.14Å |
| 626 | E | 74.2 | Confident | 72.4 | Confident | 135 Ų | 135 | 106 Ų | 106 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 165.8 | -66.4 | -150.5 | 141.6 | 0 | 0 | 111.7 | L622 L628 K629 I630 | L622-E626 PolarHBondContact O-N 2.88Å; E626-L628 PolarHBondContact O-N 3.5Å; E626-K629 CarbonylContact O-C 3.6Å; E626-K629 WeakPolarHBondContact O-CB 3.27Å; E626-K629 PolarHBondContact O-N 3.44Å; E626-K629 VanDerWaalsContact O-N 3.16Å; E626-I630 WeakPolarHBondContact O-CB 3.2Å; E626-I630 VanDerWaalsContact O-CG1 3.3Å; E626-I630 WeakPolarHBondContact O-CG1 3.36Å; E626-I630 PolarHBondContact O-N 3.5Å |
| 627 | Q | 67.2 | Low | 72.6 | Confident | 119 Ų | 119 | 105.7 Ų | 105.7 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 171.4 | -79.6 | -170.9 | 9.7 | 0 | 0 | 112.4 | D623 K629 I630 E631 | D623-Q627 WeakPolarHBondContact O-CB 3.49Å; D623-Q627 VanDerWaalsContact O-CG 3.32Å; D623-Q627 WeakPolarHBondContact O-CG 3.23Å; D623-Q627 PolarHBondContact O-N 2.76Å; Q627-K629 PolarHBondContact O-N 2.88Å; Q627-I630 CarbonylContact O-C 3.6Å; Q627-I630 PolarHBondContact O-N 2.97Å; Q627-E631 WeakPolarHBondContact O-CB 3.31Å; Q627-E631 WeakPolarHBondContact O-CG 3.26Å; Q627-E631 PolarHBondContact O-N 3.15Å |
| 628 | L | 70.8 | Confident | 72.7 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -32.8 | 175.9 | -123 | 149.5 | 0 | 0 | 0 | 111.6 | N624 N625 E626 Q632 | N624-L628 WeakPolarHBondContact O-CB 3.32Å; N624-L628 PolarHBondContact O-N 3.41Å; N625-L628 PolarHBondContact O-N 2.91Å; E626-L628 PolarHBondContact O-N 3.5Å; L628-Q632 WeakPolarHBondContact O-CB 3.22Å; L628-Q632 WeakPolarHBondContact O-CG 3.35Å; L628-Q632 PolarHBondContact O-N 3.26Å |
| 629 | K | 75.6 | Confident | 72.8 | Confident | 142 Ų | 142 | 104.3 Ų | 104.3 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.4 | -36.2 | 175.6 | -152.5 | 171.3 | -172.8 | 178.1 | 0 | 112.5 | N625 E626 Q627 N633 | N625-K629 PolarHBondContact O-N 2.86Å; N625-K629 VanDerWaalsContact O-N 3.14Å; E626-K629 CarbonylContact O-C 3.6Å; E626-K629 WeakPolarHBondContact O-CB 3.27Å; E626-K629 PolarHBondContact O-N 3.44Å; E626-K629 VanDerWaalsContact O-N 3.16Å; Q627-K629 PolarHBondContact O-N 2.88Å; K629-N633 PolarHBondContact O-N 3.45Å |
| 630 | I | 73.9 | Confident | 72.9 | Confident | 90 Ų | 90 | 102 Ų | 102 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 171.9 | -69.9 | 164.3 | 0 | 0 | 0 | 110.7 | E626 Q627 N633 K634 | E626-I630 WeakPolarHBondContact O-CB 3.2Å; E626-I630 VanDerWaalsContact O-CG1 3.3Å; E626-I630 WeakPolarHBondContact O-CG1 3.36Å; E626-I630 PolarHBondContact O-N 3.5Å; Q627-I630 CarbonylContact O-C 3.6Å; Q627-I630 PolarHBondContact O-N 2.97Å; I630-N633 PolarHBondContact O-N 3Å; I630-K634 HydrophobicContact CG2-CD 4.04Å; I630-K634 WeakPolarHBondContact O-CB 3.17Å; I630-K634 VanDerWaalsContact O-CG 3.29Å; I630-K634 WeakPolarHBondContact O-CG 3.34Å; I630-K634 PolarHBondContact O-N 3.29Å |
| 631 | E | 70.5 | Confident | 73.2 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -32.5 | 174.3 | -72.5 | -57.5 | 140.6 | 0 | 0 | 112.1 | Q627 K634 L635 | Q627-E631 WeakPolarHBondContact O-CB 3.31Å; Q627-E631 WeakPolarHBondContact O-CG 3.26Å; Q627-E631 PolarHBondContact O-N 3.15Å; E631-K634 VanDerWaalsContact CD-CD 3.49Å; E631-K634 PolarHBondContact O-N 2.8Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 WeakPolarHBondContact OE1-CE 3.33Å; E631-K634 IonicContact OE1-NZ 3.16Å; E631-K634 PolarHBondContact OE1-NZ 3.26Å; E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 VanDerWaalsContact O-CG 3.25Å; E631-L635 WeakPolarHBondContact O-CG 3.23Å; E631-L635 PolarHBondContact O-N 3.43Å |
| 632 | Q | 70.8 | Confident | 73.3 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -40.9 | 167.9 | -84.3 | -175.5 | -15.2 | 0 | 0 | 112.1 | L628 L635 M636 | L628-Q632 WeakPolarHBondContact O-CB 3.22Å; L628-Q632 WeakPolarHBondContact O-CG 3.35Å; L628-Q632 PolarHBondContact O-N 3.26Å; Q632-L635 PolarHBondContact O-N 3.48Å; Q632-M636 PolarHBondContact O-N 3.37Å |
| 633 | N | 76.7 | Confident | 73.5 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 174 | -73.3 | -6.2 | 0 | 0 | 0 | 111.4 | K629 I630 L635 M636 D637 | K629-N633 PolarHBondContact O-N 3.45Å; I630-N633 PolarHBondContact O-N 3Å; N633-L635 VanDerWaalsContact C-N 3.25Å; N633-L635 PolarHBondContact O-N 3.39Å; N633-M636 CarbonylContact O-C 3.57Å; N633-M636 WeakPolarHBondContact O-CA 3.36Å; N633-M636 WeakPolarHBondContact O-CB 3.47Å; N633-M636 PolarHBondContact O-N 2.79Å; N633-D637 PolarHBondContact O-N 3.15Å |
| 634 | K | 75.7 | Confident | 73.9 | Confident | 95 Ų | 95 | 103.9 Ų | 103.9 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -30.7 | 172 | -73.6 | 163.1 | 166 | 173.9 | 0 | 113 | I630 E631 K638 | I630-K634 HydrophobicContact CG2-CD 4.04Å; I630-K634 WeakPolarHBondContact O-CB 3.17Å; I630-K634 VanDerWaalsContact O-CG 3.29Å; I630-K634 WeakPolarHBondContact O-CG 3.34Å; I630-K634 PolarHBondContact O-N 3.29Å; E631-K634 VanDerWaalsContact CD-CD 3.49Å; E631-K634 PolarHBondContact O-N 2.8Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 WeakPolarHBondContact OE1-CE 3.33Å; E631-K634 IonicContact OE1-NZ 3.16Å; E631-K634 PolarHBondContact OE1-NZ 3.26Å; K634-K638 WeakPolarHBondContact O-CB 3.48Å; K634-K638 VanDerWaalsContact O-CG 3.23Å; K634-K638 WeakPolarHBondContact O-CG 3.35Å; K634-K638 PolarHBondContact O-N 3.21Å |
| 635 | L | 71.4 | Confident | 74.1 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -73.8 | -33.2 | 173.2 | -82.9 | 165 | 0 | 0 | 0 | 111.7 | E631 Q632 N633 S639 | E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 VanDerWaalsContact O-CG 3.25Å; E631-L635 WeakPolarHBondContact O-CG 3.23Å; E631-L635 PolarHBondContact O-N 3.43Å; Q632-L635 PolarHBondContact O-N 3.48Å; N633-L635 VanDerWaalsContact C-N 3.25Å; N633-L635 PolarHBondContact O-N 3.39Å; L635-S639 WeakPolarHBondContact O-CB 3.44Å; L635-S639 PolarHBondContact O-N 2.81Å |
| 636 | M | 72.7 | Confident | 74.3 | Confident | 109 Ų | 109 | 103.2 Ų | 103.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 168.9 | -80.3 | -61.3 | -49.9 | 0 | 0 | 111.8 | Q632 N633 S639 N640 | Q632-M636 PolarHBondContact O-N 3.37Å; N633-M636 CarbonylContact O-C 3.57Å; N633-M636 WeakPolarHBondContact O-CA 3.36Å; N633-M636 WeakPolarHBondContact O-CB 3.47Å; N633-M636 PolarHBondContact O-N 2.79Å; M636-S639 WeakPolarHBondContact O-CB 3.46Å; M636-S639 PolarHBondContact O-N 3.45Å; M636-S639 VanDerWaalsContact O-N 3.14Å; M636-N640 PolarHBondContact O-N 3.49Å; M636-N640 PolarHBondContact O-ND2 3.1Å |
| 637 | D | 73.8 | Confident | 74.7 | Confident | 96 Ų | 96 | 100.9 Ų | 100.9 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 176.2 | -65.7 | -32.5 | 0 | 0 | 0 | 110.6 | N633 S639 N640 E641 | N633-D637 PolarHBondContact O-N 3.15Å; D637-S639 VanDerWaalsContact C-N 3.25Å; D637-S639 PolarHBondContact O-N 3.11Å; D637-N640 CarbonylContact O-C 3.56Å; D637-N640 WeakPolarHBondContact O-CA 3.37Å; D637-N640 WeakPolarHBondContact O-CB 3.42Å; D637-N640 PolarHBondContact O-N 2.8Å; D637-E641 WeakPolarHBondContact O-CG 3.31Å; D637-E641 PolarHBondContact O-N 2.95Å |
| 638 | K | 75.8 | Confident | 75.3 | Confident | 116 Ų | 116 | 100.5 Ų | 100.5 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -28 | 170.1 | -77.6 | 175.2 | 175.7 | 177.7 | 0 | 113.7 | K634 L642 | K634-K638 WeakPolarHBondContact O-CB 3.48Å; K634-K638 VanDerWaalsContact O-CG 3.23Å; K634-K638 WeakPolarHBondContact O-CG 3.35Å; K634-K638 PolarHBondContact O-N 3.21Å; K638-L642 VanDerWaalsContact O-CB 3.26Å; K638-L642 WeakPolarHBondContact O-CB 3.47Å; K638-L642 WeakPolarHBondContact O-CG 3.46Å; K638-L642 PolarHBondContact O-N 3.47Å |
| 639 | S | 74.6 | Confident | 75.6 | Confident | 52 Ų | 52 | 99.2 Ų | 99.2 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -35 | 172.6 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | L635 M636 D637 I643 | L635-S639 WeakPolarHBondContact O-CB 3.44Å; L635-S639 PolarHBondContact O-N 2.81Å; M636-S639 WeakPolarHBondContact O-CB 3.46Å; M636-S639 PolarHBondContact O-N 3.45Å; M636-S639 VanDerWaalsContact O-N 3.14Å; D637-S639 VanDerWaalsContact C-N 3.25Å; D637-S639 PolarHBondContact O-N 3.11Å; S639-I643 WeakPolarHBondContact O-CD1 3.31Å; S639-I643 VanDerWaalsContact O-CG1 3.28Å; S639-I643 WeakPolarHBondContact O-CG1 3.22Å; S639-I643 PolarHBondContact O-N 3.32Å |
| 640 | N | 76.9 | Confident | 76 | Confident | 79 Ų | 79 | 97.7 Ų | 97.7 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.1 | -41.3 | 173.3 | -64.5 | -37.3 | 0 | 0 | 0 | 111.1 | M636 D637 L642 I643 I644 | M636-N640 PolarHBondContact O-N 3.49Å; M636-N640 PolarHBondContact O-ND2 3.1Å; D637-N640 CarbonylContact O-C 3.56Å; D637-N640 WeakPolarHBondContact O-CA 3.37Å; D637-N640 WeakPolarHBondContact O-CB 3.42Å; D637-N640 PolarHBondContact O-N 2.8Å; N640-L642 VanDerWaalsContact C-N 3.35Å; N640-I643 PolarHBondContact O-N 2.98Å; N640-I644 WeakPolarHBondContact O-CG1 3.24Å; N640-I644 PolarHBondContact O-N 2.98Å |
| 641 | E | 75.3 | Confident | 76.3 | Confident | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 169.5 | -68.5 | 174.7 | 158.5 | 0 | 0 | 110.9 | D637 I643 I644 V645 | D637-E641 WeakPolarHBondContact O-CG 3.31Å; D637-E641 PolarHBondContact O-N 2.95Å; E641-I643 VanDerWaalsContact C-N 3.29Å; E641-I643 PolarHBondContact O-N 2.84Å; E641-I644 PolarHBondContact O-N 3.34Å; E641-I644 VanDerWaalsContact O-N 3.16Å; E641-V645 WeakPolarHBondContact O-CB 3.34Å; E641-V645 VanDerWaalsContact O-CG2 3.3Å; E641-V645 WeakPolarHBondContact O-CG2 3.38Å; E641-V645 PolarHBondContact O-N 2.89Å |
| 642 | L | 73.8 | Confident | 76.4 | Confident | 116 Ų | 116 | 100.5 Ų | 100.5 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -33.1 | 174.9 | -89 | 164.9 | 0 | 0 | 0 | 113.2 | K638 N640 N646 | K638-L642 VanDerWaalsContact O-CB 3.26Å; K638-L642 WeakPolarHBondContact O-CB 3.47Å; K638-L642 WeakPolarHBondContact O-CG 3.46Å; K638-L642 PolarHBondContact O-N 3.47Å; N640-L642 VanDerWaalsContact C-N 3.35Å; L642-N646 WeakPolarHBondContact O-CB 3.33Å; L642-N646 PolarHBondContact O-N 3.3Å |
| 643 | I | 78 | Confident | 76.8 | Confident | 109 Ų | 109 | 101.6 Ų | 101.6 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | 174.1 | -72.4 | 162.7 | 0 | 0 | 0 | 110.6 | S639 N640 E641 N646 E647 | S639-I643 WeakPolarHBondContact O-CD1 3.31Å; S639-I643 VanDerWaalsContact O-CG1 3.28Å; S639-I643 WeakPolarHBondContact O-CG1 3.22Å; S639-I643 PolarHBondContact O-N 3.32Å; N640-I643 PolarHBondContact O-N 2.98Å; E641-I643 VanDerWaalsContact C-N 3.29Å; E641-I643 PolarHBondContact O-N 2.84Å; I643-N646 PolarHBondContact O-N 3.25Å; I643-E647 PolarHBondContact O-N 2.89Å; I643-E647 VanDerWaalsContact O-N 3.16Å |
| 644 | I | 77.5 | Confident | 77 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -54.1 | 175.2 | -65.8 | 166.3 | 0 | 0 | 0 | 110 | N640 E641 N646 E647 E648 | N640-I644 WeakPolarHBondContact O-CG1 3.24Å; N640-I644 PolarHBondContact O-N 2.98Å; E641-I644 PolarHBondContact O-N 3.34Å; E641-I644 VanDerWaalsContact O-N 3.16Å; I644-N646 PolarHBondContact O-N 3.16Å; I644-E647 PolarHBondContact O-N 3.43Å; I644-E648 HydrophobicContact CG2-CG 4.41Å; I644-E648 WeakPolarHBondContact O-CG 3.16Å; I644-E648 PolarHBondContact O-N 2.66Å |
| 645 | V | 76.7 | Confident | 77.3 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -34 | 178.7 | 169.2 | 0 | 0 | 0 | 0 | 112 | E641 L649 | E641-V645 WeakPolarHBondContact O-CB 3.34Å; E641-V645 VanDerWaalsContact O-CG2 3.3Å; E641-V645 WeakPolarHBondContact O-CG2 3.38Å; E641-V645 PolarHBondContact O-N 2.89Å; V645-L649 VanDerWaalsContact O-CB 3.3Å; V645-L649 WeakPolarHBondContact O-CB 3.34Å; V645-L649 PolarHBondContact O-N 3.16Å |
| 646 | N | 78.3 | Confident | 77.5 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.6 | -33.4 | 177.3 | -171.5 | 45 | 0 | 0 | 0 | 112.9 | L642 I643 I644 L649 K650 | L642-N646 WeakPolarHBondContact O-CB 3.33Å; L642-N646 PolarHBondContact O-N 3.3Å; I643-N646 PolarHBondContact O-N 3.25Å; I644-N646 PolarHBondContact O-N 3.16Å; N646-L649 PolarHBondContact O-N 3.46Å; N646-K650 WeakPolarHBondContact O-CB 3.35Å; N646-K650 PolarHBondContact O-N 3.39Å |
| 647 | E | 82.4 | Confident | 77.8 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.8 | -32.8 | 172.8 | -169.7 | 63.7 | -159.3 | 0 | 0 | 111.3 | I643 I644 K650 Q651 | I643-E647 PolarHBondContact O-N 2.89Å; I643-E647 VanDerWaalsContact O-N 3.16Å; I644-E647 PolarHBondContact O-N 3.43Å; E647-K650 WeakPolarHBondContact O-CB 3.46Å; E647-K650 PolarHBondContact O-N 2.7Å; E647-K650 IonicContact OE1-NZ 2.79Å; E647-K650 PolarHBondContact OE1-NZ 3.01Å; E647-K650 WeakPolarHBondContact OE2-CD 3.4Å; E647-K650 IonicContact OE2-NZ 2.62Å; E647-K650 PolarHBondContact OE2-NZ 2.79Å; E647-Q651 WeakPolarHBondContact O-CG 3.46Å; E647-Q651 PolarHBondContact O-N 2.87Å |
| 648 | E | 80.3 | Confident | 78.2 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 166.2 | -71.3 | 177.9 | 166.5 | 0 | 0 | 111.4 | I644 K650 Q651 L652 | I644-E648 HydrophobicContact CG2-CG 4.41Å; I644-E648 WeakPolarHBondContact O-CG 3.16Å; I644-E648 PolarHBondContact O-N 2.66Å; E648-K650 PolarHBondContact O-N 3.47Å; E648-Q651 CarbonylContact O-C 3.53Å; E648-Q651 PolarHBondContact O-N 3.13Å; E648-L652 WeakPolarHBondContact O-CB 3.27Å; E648-L652 PolarHBondContact O-N 3.12Å |
| 649 | L | 76.1 | Confident | 78.1 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 41% | 0.414 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -31.4 | 173.1 | -114.5 | 163.4 | 0 | 0 | 0 | 112.5 | V645 N646 K653 | V645-L649 VanDerWaalsContact O-CB 3.3Å; V645-L649 WeakPolarHBondContact O-CB 3.34Å; V645-L649 PolarHBondContact O-N 3.16Å; N646-L649 PolarHBondContact O-N 3.46Å; L649-K653 WeakPolarHBondContact O-CB 3.26Å; L649-K653 VanDerWaalsContact O-CG 3.31Å; L649-K653 WeakPolarHBondContact O-CG 3.17Å; L649-K653 PolarHBondContact O-N 2.95Å |
| 650 | K | 83.8 | Confident | 78 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.8 | -42 | 175.4 | 173.9 | 169.7 | 153.4 | -118.2 | 0 | 111.8 | N646 E647 E648 L652 K653 E654 | N646-K650 WeakPolarHBondContact O-CB 3.35Å; N646-K650 PolarHBondContact O-N 3.39Å; E647-K650 WeakPolarHBondContact O-CB 3.46Å; E647-K650 PolarHBondContact O-N 2.7Å; E647-K650 IonicContact OE1-NZ 2.79Å; E647-K650 PolarHBondContact OE1-NZ 3.01Å; E647-K650 WeakPolarHBondContact OE2-CD 3.4Å; E647-K650 IonicContact OE2-NZ 2.62Å; E647-K650 PolarHBondContact OE2-NZ 2.79Å; E648-K650 PolarHBondContact O-N 3.47Å; K650-L652 VanDerWaalsContact C-N 3.33Å; K650-K653 PolarHBondContact O-N 3.33Å; K650-E654 PolarHBondContact O-N 2.74Å |
| 651 | Q | 80.9 | Confident | 78.1 | Confident | 124 Ų | 124 | 108.3 Ų | 108.3 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 169.6 | -69.8 | -179.1 | 43.5 | 0 | 0 | 111.5 | E647 E648 K653 E654 F655 | E647-Q651 WeakPolarHBondContact O-CG 3.46Å; E647-Q651 PolarHBondContact O-N 2.87Å; E648-Q651 CarbonylContact O-C 3.53Å; E648-Q651 PolarHBondContact O-N 3.13Å; Q651-K653 VanDerWaalsContact C-N 3.33Å; Q651-K653 PolarHBondContact O-N 3.38Å; Q651-E654 PolarHBondContact O-N 3.07Å; Q651-F655 WeakPolarHBondContact O-CB 3.3Å; Q651-F655 PolarHBondContact O-N 3.05Å |
| 652 | L | 72.9 | Confident | 78.3 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175 | -156.9 | 78.6 | 0 | 0 | 0 | 111.3 | E648 K650 F655 M656 | E648-L652 WeakPolarHBondContact O-CB 3.27Å; E648-L652 PolarHBondContact O-N 3.12Å; K650-L652 VanDerWaalsContact C-N 3.33Å; L652-F655 PolarHBondContact O-N 3.19Å; L652-M656 VanDerWaalsContact O-CB 3.27Å; L652-M656 WeakPolarHBondContact O-CB 3.37Å; L652-M656 WeakPolarHBondContact O-CG 3.46Å; L652-M656 PolarHBondContact O-N 3.22Å |
| 653 | K | 79.3 | Confident | 78.2 | Confident | 142 Ų | 142 | 105 Ų | 105 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -38.7 | 172 | -82 | 175.3 | 177.8 | 177.3 | 0 | 113.2 | L649 K650 Q651 S657 | L649-K653 WeakPolarHBondContact O-CB 3.26Å; L649-K653 VanDerWaalsContact O-CG 3.31Å; L649-K653 WeakPolarHBondContact O-CG 3.17Å; L649-K653 PolarHBondContact O-N 2.95Å; K650-K653 PolarHBondContact O-N 3.33Å; Q651-K653 VanDerWaalsContact C-N 3.33Å; Q651-K653 PolarHBondContact O-N 3.38Å; K653-S657 WeakPolarHBondContact O-CB 3.33Å; K653-S657 PolarHBondContact O-N 3.39Å; K653-S657 PolarHBondContact O-OG 2.95Å |
| 654 | E | 80.5 | Confident | 77.9 | Confident | 116 Ų | 116 | 104.5 Ų | 104.5 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 171.2 | -90.5 | -164.5 | -177.3 | 0 | 0 | 112 | K650 Q651 S657 K658 | K650-E654 PolarHBondContact O-N 2.74Å; Q651-E654 PolarHBondContact O-N 3.07Å; E654-S657 PolarHBondContact O-N 2.76Å; E654-K658 WeakPolarHBondContact O-CG 3.3Å; E654-K658 PolarHBondContact O-N 2.84Å; E654-K658 IonicContact OE2-NZ 2.7Å |
| 655 | F | 81.8 | Confident | 78.1 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 175.8 | -177 | -100.2 | 0 | 0 | 0 | 111.5 | Q651 L652 S657 K658 M659 | Q651-F655 WeakPolarHBondContact O-CB 3.3Å; Q651-F655 PolarHBondContact O-N 3.05Å; L652-F655 PolarHBondContact O-N 3.19Å; F655-S657 VanDerWaalsContact C-N 3.3Å; F655-S657 PolarHBondContact O-N 3.44Å; F655-K658 PolarHBondContact O-N 3.49Å; F655-M659 HydrophobicContact CD1-CG 4.02Å; F655-M659 HydrophobicContact CE1-CG 3.59Å; F655-M659 HydrophobicContact CE1-SD 4.24Å; F655-M659 HydrophobicContact CE2-CG 4.46Å; F655-M659 HydrophobicContact CZ-CG 3.84Å; F655-M659 HydrophobicContact CZ-SD 4.14Å; F655-M659 WeakPolarHBondContact O-CB 3.41Å; F655-M659 WeakPolarHBondContact O-CG 3.39Å; F655-M659 PolarHBondContact O-N 2.77Å |
| 656 | M | 76 | Confident | 77.8 | Confident | 119 Ų | 119 | 104.8 Ų | 104.8 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.1 | -41.7 | 171.3 | -76.8 | -76.4 | -71.6 | 0 | 0 | 111.7 | L652 M659 Q660 | L652-M656 VanDerWaalsContact O-CB 3.27Å; L652-M656 WeakPolarHBondContact O-CB 3.37Å; L652-M656 WeakPolarHBondContact O-CG 3.46Å; L652-M656 PolarHBondContact O-N 3.22Å; M656-M659 PolarHBondContact O-N 3.42Å; M656-Q660 VanDerWaalsContact O-CB 3.23Å; M656-Q660 WeakPolarHBondContact O-CB 3.33Å; M656-Q660 PolarHBondContact O-N 2.79Å |
| 657 | S | 79.4 | Confident | 77.6 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112 | K653 E654 F655 N661 | K653-S657 WeakPolarHBondContact O-CB 3.33Å; K653-S657 PolarHBondContact O-N 3.39Å; K653-S657 PolarHBondContact O-OG 2.95Å; E654-S657 PolarHBondContact O-N 2.76Å; F655-S657 VanDerWaalsContact C-N 3.3Å; F655-S657 PolarHBondContact O-N 3.44Å; S657-N661 WeakPolarHBondContact O-CB 3.48Å; S657-N661 PolarHBondContact O-N 2.97Å |
| 658 | K | 81.8 | Confident | 77.4 | Confident | 129 Ų | 129 | 103.5 Ų | 103.5 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.7 | -45.8 | 173.8 | -73.7 | 168 | -177.8 | 159.5 | 0 | 111.8 | E654 F655 Q660 N661 N662 | E654-K658 WeakPolarHBondContact O-CG 3.3Å; E654-K658 PolarHBondContact O-N 2.84Å; E654-K658 IonicContact OE2-NZ 2.7Å; F655-K658 PolarHBondContact O-N 3.49Å; K658-Q660 VanDerWaalsContact C-N 3.34Å; K658-Q660 PolarHBondContact O-N 3.48Å; K658-N661 PolarHBondContact O-N 3.39Å; K658-N662 PolarHBondContact O-N 2.91Å; K658-N662 PolarHBondContact O-OD1 2.85Å |
| 659 | M | 73.5 | Confident | 77.1 | Confident | 92 Ų | 92 | 104.2 Ų | 104.2 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.1 | -48.4 | 173 | -82.3 | -78.8 | -71.9 | 0 | 0 | 111.4 | F655 M656 N661 N662 Y663 | F655-M659 HydrophobicContact CD1-CG 4.02Å; F655-M659 HydrophobicContact CE1-CG 3.59Å; F655-M659 HydrophobicContact CE1-SD 4.24Å; F655-M659 HydrophobicContact CE2-CG 4.46Å; F655-M659 HydrophobicContact CZ-CG 3.84Å; F655-M659 HydrophobicContact CZ-SD 4.14Å; F655-M659 WeakPolarHBondContact O-CB 3.41Å; F655-M659 WeakPolarHBondContact O-CG 3.39Å; F655-M659 PolarHBondContact O-N 2.77Å; M656-M659 PolarHBondContact O-N 3.42Å; M659-N661 PolarHBondContact O-N 2.88Å; M659-N662 PolarHBondContact O-N 3.3Å; M659-Y663 WeakPolarHBondContact O-CB 3.5Å; M659-Y663 PolarHBondContact O-N 3.39Å |
| 660 | Q | 73.1 | Confident | 77 | Confident | 143 Ų | 143 | 104 Ų | 104 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -36.9 | 179.5 | -173.7 | 172.9 | -1.5 | 0 | 0 | 112.3 | M656 K658 Y663 Q664 | M656-Q660 VanDerWaalsContact O-CB 3.23Å; M656-Q660 WeakPolarHBondContact O-CB 3.33Å; M656-Q660 PolarHBondContact O-N 2.79Å; K658-Q660 VanDerWaalsContact C-N 3.34Å; K658-Q660 PolarHBondContact O-N 3.48Å; Q660-Y663 PolarHBondContact O-N 3Å; Q660-Q664 WeakPolarHBondContact O-CB 3.33Å; Q660-Q664 PolarHBondContact O-N 3.49Å |
| 661 | N | 79.6 | Confident | 76.5 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.8 | -37.2 | 176.4 | -156.6 | 45.7 | 0 | 0 | 0 | 112.1 | S657 K658 M659 Q664 I665 | S657-N661 WeakPolarHBondContact O-CB 3.48Å; S657-N661 PolarHBondContact O-N 2.97Å; K658-N661 PolarHBondContact O-N 3.39Å; M659-N661 PolarHBondContact O-N 2.88Å; N661-Q664 PolarHBondContact O-N 3.23Å; N661-I665 WeakPolarHBondContact O-CG1 3.48Å; N661-I665 PolarHBondContact O-N 3.39Å |
| 662 | N | 78.2 | Confident | 76.4 | Confident | 96 Ų | 96 | 102.5 Ų | 102.5 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 169.7 | -81.6 | 29.6 | 0 | 0 | 0 | 111.2 | K658 M659 Q664 I665 E666 | K658-N662 PolarHBondContact O-N 2.91Å; K658-N662 PolarHBondContact O-OD1 2.85Å; M659-N662 PolarHBondContact O-N 3.3Å; N662-Q664 PolarHBondContact O-N 2.95Å; N662-I665 WeakPolarHBondContact O-CA 3.36Å; N662-I665 WeakPolarHBondContact O-CB 3.45Å; N662-I665 PolarHBondContact O-N 3.37Å; N662-E666 PolarHBondContact O-N 3.35Å |
| 663 | Y | 71.1 | Confident | 76.5 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -32.3 | 176.9 | -123.8 | -82.2 | 0 | 0 | 0 | 112.4 | R228 M659 Q660 L667 | R228-Y663 PolarHBondContact NH2-OH 2.74Å; M659-Y663 WeakPolarHBondContact O-CB 3.5Å; M659-Y663 PolarHBondContact O-N 3.39Å; Q660-Y663 PolarHBondContact O-N 3Å; Y663-L667 VanDerWaalsContact O-CB 3.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.46Å; Y663-L667 PolarHBondContact O-N 3.29Å |
| 664 | Q | 72.9 | Confident | 76.2 | Confident | 98 Ų | 98 | 101.3 Ų | 101.3 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.3 | -32.5 | 175.1 | -171.1 | 62.1 | 71.6 | 0 | 0 | 112.6 | Q660 N661 N662 N668 | Q660-Q664 WeakPolarHBondContact O-CB 3.33Å; Q660-Q664 PolarHBondContact O-N 3.49Å; N661-Q664 PolarHBondContact O-N 3.23Å; N662-Q664 PolarHBondContact O-N 2.95Å; Q664-N668 PolarHBondContact NE2-OD1 2.98Å; Q664-N668 WeakPolarHBondContact O-CB 3.2Å; Q664-N668 PolarHBondContact O-N 2.97Å; Q664-N668 VanDerWaalsContact O-N 3.08Å; Q664-N668 PolarHBondContact O-OD1 3.47Å; Q664-N668 VanDerWaalsContact O-OD1 3.1Å |
| 665 | I | 80.4 | Confident | 76.1 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -48.2 | 171.9 | -68.3 | 163.4 | 0 | 0 | 0 | 109.6 | N661 N662 L667 N668 E669 | N661-I665 WeakPolarHBondContact O-CG1 3.48Å; N661-I665 PolarHBondContact O-N 3.39Å; N662-I665 WeakPolarHBondContact O-CA 3.36Å; N662-I665 WeakPolarHBondContact O-CB 3.45Å; N662-I665 PolarHBondContact O-N 3.37Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 3.22Å; I665-N668 PolarHBondContact O-N 3.5Å; I665-E669 HydrophobicContact CG2-CG 4.36Å; I665-E669 WeakPolarHBondContact O-CG 3.47Å; I665-E669 PolarHBondContact O-N 3.2Å |
| 666 | E | 72.3 | Confident | 76 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 175.6 | -70.2 | 171.3 | 172.6 | 0 | 0 | 111.9 | N662 Q670 | N662-E666 PolarHBondContact O-N 3.35Å; E666-Q670 VanDerWaalsContact O-CB 3.28Å; E666-Q670 WeakPolarHBondContact O-CB 3.29Å; E666-Q670 VanDerWaalsContact O-CG 3.28Å; E666-Q670 WeakPolarHBondContact O-CG 3.45Å; E666-Q670 PolarHBondContact O-N 2.8Å |
| 667 | L | 72.6 | Confident | 76 | Confident | 81 Ų | 81 | 98.5 Ų | 98.5 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 172.4 | -103.7 | 158 | 0 | 0 | 0 | 113.3 | Y663 I665 S671 | Y663-L667 VanDerWaalsContact O-CB 3.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.46Å; Y663-L667 PolarHBondContact O-N 3.29Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 3.22Å; L667-S671 VanDerWaalsContact O-CB 3.29Å; L667-S671 WeakPolarHBondContact O-CB 3.45Å; L667-S671 PolarHBondContact O-N 3.3Å |
| 668 | N | 78.3 | Confident | 75.9 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.1 | -43.7 | 177.7 | -68.6 | 0.1 | 0 | 0 | 0 | 110.9 | Q664 I665 S671 E672 | Q664-N668 PolarHBondContact NE2-OD1 2.98Å; Q664-N668 WeakPolarHBondContact O-CB 3.2Å; Q664-N668 PolarHBondContact O-N 2.97Å; Q664-N668 VanDerWaalsContact O-N 3.08Å; Q664-N668 PolarHBondContact O-OD1 3.47Å; Q664-N668 VanDerWaalsContact O-OD1 3.1Å; I665-N668 PolarHBondContact O-N 3.5Å; N668-S671 WeakPolarHBondContact O-CB 3.19Å; N668-S671 PolarHBondContact O-N 2.99Å; N668-S671 VanDerWaalsContact O-N 3.1Å; N668-E672 PolarHBondContact O-N 2.88Å |
| 669 | E | 75.4 | Confident | 75.7 | Confident | 126 Ų | 126 | 101.1 Ų | 101.1 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 175.2 | -70.8 | 178.4 | 175.7 | 0 | 0 | 110.9 | I665 S671 E672 E673 | I665-E669 HydrophobicContact CG2-CG 4.36Å; I665-E669 WeakPolarHBondContact O-CG 3.47Å; I665-E669 PolarHBondContact O-N 3.2Å; E669-S671 VanDerWaalsContact C-N 3.31Å; E669-S671 PolarHBondContact O-N 3.41Å; E669-E672 PolarHBondContact O-N 3.49Å; E669-E673 WeakPolarHBondContact O-CB 3.08Å; E669-E673 PolarHBondContact O-N 3.47Å |
| 670 | Q | 73.1 | Confident | 75.9 | Confident | 74 Ų | 74 | 100.4 Ų | 100.4 | 35% | 0.346 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -33 | 171.4 | -74.5 | -179.7 | 1.6 | 0 | 0 | 112.6 | E666 I674 | E666-Q670 VanDerWaalsContact O-CB 3.28Å; E666-Q670 WeakPolarHBondContact O-CB 3.29Å; E666-Q670 VanDerWaalsContact O-CG 3.28Å; E666-Q670 WeakPolarHBondContact O-CG 3.45Å; E666-Q670 PolarHBondContact O-N 2.8Å; Q670-I674 VanDerWaalsContact O-CB 3.27Å; Q670-I674 WeakPolarHBondContact O-CB 3.18Å; Q670-I674 WeakPolarHBondContact O-CD1 3.3Å; Q670-I674 WeakPolarHBondContact O-CG1 3.45Å; Q670-I674 PolarHBondContact O-N 2.78Å |
| 671 | S | 74.4 | Confident | 76 | Confident | 61 Ų | 61 | 99.1 Ų | 99.1 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.8 | -35.2 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | L667 N668 E669 Q675 | L667-S671 VanDerWaalsContact O-CB 3.29Å; L667-S671 WeakPolarHBondContact O-CB 3.45Å; L667-S671 PolarHBondContact O-N 3.3Å; N668-S671 WeakPolarHBondContact O-CB 3.19Å; N668-S671 PolarHBondContact O-N 2.99Å; N668-S671 VanDerWaalsContact O-N 3.1Å; E669-S671 VanDerWaalsContact C-N 3.31Å; E669-S671 PolarHBondContact O-N 3.41Å; S671-Q675 WeakPolarHBondContact O-CG 3.17Å; S671-Q675 PolarHBondContact O-N 3.35Å |
| 672 | E | 78.3 | Confident | 75.9 | Confident | 143 Ų | 143 | 98.6 Ų | 98.6 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.7 | -39.1 | 173.6 | -71.4 | -174.9 | -172 | 0 | 0 | 110.9 | N668 E669 Q675 S676 | N668-E672 PolarHBondContact O-N 2.88Å; E669-E672 PolarHBondContact O-N 3.49Å; E672-Q675 PolarHBondContact O-N 2.86Å; E672-S676 WeakPolarHBondContact O-CB 3.49Å; E672-S676 PolarHBondContact O-N 3.4Å |
| 673 | E | 75.6 | Confident | 75.9 | Confident | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 173.6 | -171.6 | 168.6 | -132.7 | 0 | 0 | 112 | E669 Q675 S676 L677 | E669-E673 WeakPolarHBondContact O-CB 3.08Å; E669-E673 PolarHBondContact O-N 3.47Å; E673-Q675 VanDerWaalsContact C-N 3.35Å; E673-Q675 PolarHBondContact O-N 2.84Å; E673-S676 WeakPolarHBondContact O-CB 3.1Å; E673-S676 PolarHBondContact O-N 3.05Å; E673-L677 HydrophobicContact CG-CD1 4.08Å; E673-L677 HydrophobicContact CG-CG 4.47Å; E673-L677 WeakPolarHBondContact O-CB 3.32Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.43Å; E673-L677 PolarHBondContact O-N 2.83Å |
| 674 | I | 72.9 | Confident | 76.1 | Confident | 96 Ų | 96 | 97.8 Ų | 97.8 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 173.8 | -73.1 | 165.6 | 0 | 0 | 0 | 111.2 | Q670 L677 Q678 | Q670-I674 VanDerWaalsContact O-CB 3.27Å; Q670-I674 WeakPolarHBondContact O-CB 3.18Å; Q670-I674 WeakPolarHBondContact O-CD1 3.3Å; Q670-I674 WeakPolarHBondContact O-CG1 3.45Å; Q670-I674 PolarHBondContact O-N 2.78Å; I674-L677 PolarHBondContact O-N 3.47Å; I674-Q678 HydrophobicContact CG2-CG 4.48Å; I674-Q678 WeakPolarHBondContact O-CB 3.33Å; I674-Q678 WeakPolarHBondContact O-CG 3.5Å; I674-Q678 PolarHBondContact O-N 3.2Å |
| 675 | Q | 77.3 | Confident | 76.4 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 173.3 | -78.6 | -173 | 10.4 | 0 | 0 | 112 | S671 E672 E673 Q678 Q679 | S671-Q675 WeakPolarHBondContact O-CG 3.17Å; S671-Q675 PolarHBondContact O-N 3.35Å; E672-Q675 PolarHBondContact O-N 2.86Å; E673-Q675 VanDerWaalsContact C-N 3.35Å; E673-Q675 PolarHBondContact O-N 2.84Å; Q675-Q678 PolarHBondContact O-N 2.99Å; Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 PolarHBondContact O-N 3.07Å |
| 676 | S | 80.5 | Confident | 76.4 | Confident | 66 Ų | 66 | 99.7 Ų | 99.7 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 112 | E672 E673 Q679 T680 | E672-S676 WeakPolarHBondContact O-CB 3.49Å; E672-S676 PolarHBondContact O-N 3.4Å; E673-S676 WeakPolarHBondContact O-CB 3.1Å; E673-S676 PolarHBondContact O-N 3.05Å; S676-Q679 PolarHBondContact O-N 2.72Å; S676-T680 WeakPolarHBondContact O-CB 3.07Å; S676-T680 PolarHBondContact O-N 3.45Å; S676-T680 PolarHBondContact O-OG1 2.85Å |
| 677 | L | 76 | Confident | 76.7 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 176.3 | -71.1 | 170.5 | 0 | 0 | 0 | 112.1 | E673 I674 T680 L681 | E673-L677 HydrophobicContact CG-CD1 4.08Å; E673-L677 HydrophobicContact CG-CG 4.47Å; E673-L677 WeakPolarHBondContact O-CB 3.32Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.43Å; E673-L677 PolarHBondContact O-N 2.83Å; I674-L677 PolarHBondContact O-N 3.47Å; L677-T680 PolarHBondContact O-N 3.09Å; L677-L681 WeakPolarHBondContact O-CB 3.48Å; L677-L681 PolarHBondContact O-N 2.9Å |
| 678 | Q | 75.6 | Confident | 76.7 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 172.2 | -78.9 | -176.1 | -35.5 | 0 | 0 | 112.3 | I674 Q675 T680 L681 N682 | I674-Q678 HydrophobicContact CG2-CG 4.48Å; I674-Q678 WeakPolarHBondContact O-CB 3.33Å; I674-Q678 WeakPolarHBondContact O-CG 3.5Å; I674-Q678 PolarHBondContact O-N 3.2Å; Q675-Q678 PolarHBondContact O-N 2.99Å; Q678-T680 VanDerWaalsContact C-N 3.34Å; Q678-L681 PolarHBondContact O-N 2.97Å; Q678-N682 WeakPolarHBondContact O-CB 3.45Å; Q678-N682 VanDerWaalsContact O-CG 3.28Å; Q678-N682 PolarHBondContact O-N 3.48Å; Q678-N682 PolarHBondContact O-ND2 3Å |
| 679 | Q | 77.8 | Confident | 76.5 | Confident | 148 Ų | 148 | 103.1 Ų | 103.1 | 69% | 0.692 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.7 | -38.5 | 175.8 | -140.3 | 174.7 | 33.3 | 0 | 0 | 111.2 | Q675 S676 T683 | Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 PolarHBondContact O-N 3.07Å; S676-Q679 PolarHBondContact O-N 2.72Å; Q679-T683 WeakPolarHBondContact O-CB 3.29Å; Q679-T683 PolarHBondContact O-N 3.07Å; Q679-T683 PolarHBondContact O-OG1 3.14Å |
| 680 | T | 77.9 | Confident | 76.5 | Confident | 76 Ų | 76 | 99.9 Ų | 99.9 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -51.1 | 172.4 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | S676 L677 Q678 N682 T683 T684 | S676-T680 WeakPolarHBondContact O-CB 3.07Å; S676-T680 PolarHBondContact O-N 3.45Å; S676-T680 PolarHBondContact O-OG1 2.85Å; L677-T680 PolarHBondContact O-N 3.09Å; Q678-T680 VanDerWaalsContact C-N 3.34Å; T680-N682 PolarHBondContact O-N 3.42Å; T680-T683 CarbonylContact O-C 3.5Å; T680-T683 WeakPolarHBondContact O-CA 2.77Å; T680-T683 WeakPolarHBondContact O-CB 3.47Å; T680-T683 PolarHBondContact O-N 2.99Å; T680-T684 PolarHBondContact O-N 3.46Å; T680-T684 PolarHBondContact O-OG1 3.26Å |
| 681 | L | 75.9 | Confident | 76.6 | Confident | 117 Ų | 117 | 101.3 Ų | 101.3 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58 | -43.7 | 178.4 | -178.7 | 65.6 | 0 | 0 | 0 | 112.2 | L677 Q678 T683 T684 K685 | L677-L681 WeakPolarHBondContact O-CB 3.48Å; L677-L681 PolarHBondContact O-N 2.9Å; Q678-L681 PolarHBondContact O-N 2.97Å; L681-T683 VanDerWaalsContact C-N 3.32Å; L681-T683 PolarHBondContact O-N 3.29Å; L681-T684 PolarHBondContact O-N 2.99Å; L681-K685 VanDerWaalsContact O-CB 3.27Å; L681-K685 WeakPolarHBondContact O-CB 3.31Å; L681-K685 PolarHBondContact O-N 3.46Å |
| 682 | N | 78.2 | Confident | 76.4 | Confident | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 174.2 | -75.4 | -38.9 | 0 | 0 | 0 | 111.9 | Q678 T680 N686 | Q678-N682 WeakPolarHBondContact O-CB 3.45Å; Q678-N682 VanDerWaalsContact O-CG 3.28Å; Q678-N682 PolarHBondContact O-N 3.48Å; Q678-N682 PolarHBondContact O-ND2 3Å; T680-N682 PolarHBondContact O-N 3.42Å; N682-N686 WeakPolarHBondContact O-CB 3.49Å; N682-N686 PolarHBondContact O-N 3.09Å; N682-N686 PolarHBondContact O-ND2 2.93Å; N682-N686 PolarHBondContact O-OD1 3.22Å |
| 683 | T | 78.5 | Confident | 76.1 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 175.7 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | Q679 T680 L681 N686 Q687 | Q679-T683 WeakPolarHBondContact O-CB 3.29Å; Q679-T683 PolarHBondContact O-N 3.07Å; Q679-T683 PolarHBondContact O-OG1 3.14Å; T680-T683 CarbonylContact O-C 3.5Å; T680-T683 WeakPolarHBondContact O-CA 2.77Å; T680-T683 WeakPolarHBondContact O-CB 3.47Å; T680-T683 PolarHBondContact O-N 2.99Å; L681-T683 VanDerWaalsContact C-N 3.32Å; L681-T683 PolarHBondContact O-N 3.29Å; T683-N686 PolarHBondContact O-N 3.19Å; T683-Q687 VanDerWaalsContact O-CG 3.31Å; T683-Q687 WeakPolarHBondContact O-CG 3.33Å; T683-Q687 PolarHBondContact O-N 2.93Å |
| 684 | T | 73.4 | Confident | 76 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | T680 L681 Q687 F688 | T680-T684 PolarHBondContact O-N 3.46Å; T680-T684 PolarHBondContact O-OG1 3.26Å; L681-T684 PolarHBondContact O-N 2.99Å; T684-Q687 WeakPolarHBondContact O-CB 3.46Å; T684-Q687 PolarHBondContact O-N 3.06Å; T684-F688 WeakPolarHBondContact O-CB 3.49Å; T684-F688 PolarHBondContact O-N 3.44Å |
| 685 | K | 80.7 | Confident | 76 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.5 | 177.6 | 170 | 173 | 170.2 | 0 | 111.3 | L681 Q687 F688 E689 | L681-K685 VanDerWaalsContact O-CB 3.27Å; L681-K685 WeakPolarHBondContact O-CB 3.31Å; L681-K685 PolarHBondContact O-N 3.46Å; K685-Q687 VanDerWaalsContact C-N 3.26Å; K685-Q687 PolarHBondContact O-N 2.89Å; K685-F688 WeakPolarHBondContact O-CB 3.5Å; K685-F688 PolarHBondContact O-N 3.34Å; K685-F688 VanDerWaalsContact O-N 3.07Å; K685-E689 WeakPolarHBondContact CE-OE1 3.43Å; K685-E689 HydrophobicContact CG-CG 4.44Å; K685-E689 IonicContact NZ-OE1 2.66Å; K685-E689 WeakPolarHBondContact O-CG 3.17Å; K685-E689 PolarHBondContact O-N 3.45Å |
| 686 | N | 78.9 | Confident | 75.7 | Confident | 101 Ų | 101 | 96.9 Ų | 96.9 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 176.5 | -65.7 | -8.8 | 0 | 0 | 0 | 112.2 | N682 T683 S690 | N682-N686 WeakPolarHBondContact O-CB 3.49Å; N682-N686 PolarHBondContact O-N 3.09Å; N682-N686 PolarHBondContact O-ND2 2.93Å; N682-N686 PolarHBondContact O-OD1 3.22Å; T683-N686 PolarHBondContact O-N 3.19Å; N686-S690 VanDerWaalsContact O-CB 3.31Å; N686-S690 WeakPolarHBondContact O-CB 3.46Å; N686-S690 PolarHBondContact O-N 3.45Å |
| 687 | Q | 79.4 | Confident | 75.4 | Confident | 111 Ų | 111 | 97.9 Ų | 97.9 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 171.8 | -74.2 | 171.1 | -5.4 | 0 | 0 | 111.9 | T683 T684 K685 S690 I691 | T683-Q687 VanDerWaalsContact O-CG 3.31Å; T683-Q687 WeakPolarHBondContact O-CG 3.33Å; T683-Q687 PolarHBondContact O-N 2.93Å; T684-Q687 WeakPolarHBondContact O-CB 3.46Å; T684-Q687 PolarHBondContact O-N 3.06Å; K685-Q687 VanDerWaalsContact C-N 3.26Å; K685-Q687 PolarHBondContact O-N 2.89Å; Q687-S690 WeakPolarHBondContact O-CB 3.39Å; Q687-S690 PolarHBondContact O-N 3.37Å; Q687-I691 VanDerWaalsContact O-CG1 3.3Å; Q687-I691 WeakPolarHBondContact O-CG1 3.3Å; Q687-I691 PolarHBondContact O-N 3.46Å |
| 688 | F | 73 | Confident | 75.4 | Confident | 139 Ų | 139 | 98 Ų | 98 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 176.7 | -171.3 | -90.8 | 0 | 0 | 0 | 111.8 | T684 K685 S690 I691 Q692 | T684-F688 WeakPolarHBondContact O-CB 3.49Å; T684-F688 PolarHBondContact O-N 3.44Å; K685-F688 WeakPolarHBondContact O-CB 3.5Å; K685-F688 PolarHBondContact O-N 3.34Å; K685-F688 VanDerWaalsContact O-N 3.07Å; F688-S690 VanDerWaalsContact C-N 3.29Å; F688-S690 PolarHBondContact O-N 2.97Å; F688-I691 PolarHBondContact O-N 3.08Å; F688-I691 VanDerWaalsContact O-N 3.16Å; F688-Q692 VanDerWaalsContact O-CB 3.31Å; F688-Q692 WeakPolarHBondContact O-CB 3.15Å; F688-Q692 PolarHBondContact O-N 2.9Å |
| 689 | E | 73.2 | Confident | 74.7 | Confident | 84 Ų | 84 | 95.1 Ų | 95.1 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 174.4 | -71.3 | 176.4 | 178.6 | 0 | 0 | 111.9 | K685 T693 | K685-E689 WeakPolarHBondContact CE-OE1 3.43Å; K685-E689 HydrophobicContact CG-CG 4.44Å; K685-E689 IonicContact NZ-OE1 2.66Å; K685-E689 WeakPolarHBondContact O-CG 3.17Å; K685-E689 PolarHBondContact O-N 3.45Å; E689-T693 WeakPolarHBondContact O-CB 3.49Å; E689-T693 PolarHBondContact O-N 3.24Å; E689-T693 PolarHBondContact O-OG1 3.37Å |
| 690 | S | 77 | Confident | 74.1 | Confident | 58 Ų | 58 | 91.3 Ų | 91.3 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 173 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | N686 Q687 F688 T693 Q694 | N686-S690 VanDerWaalsContact O-CB 3.31Å; N686-S690 WeakPolarHBondContact O-CB 3.46Å; N686-S690 PolarHBondContact O-N 3.45Å; Q687-S690 WeakPolarHBondContact O-CB 3.39Å; Q687-S690 PolarHBondContact O-N 3.37Å; F688-S690 VanDerWaalsContact C-N 3.29Å; F688-S690 PolarHBondContact O-N 2.97Å; S690-T693 PolarHBondContact O-N 3.4Å; S690-Q694 VanDerWaalsContact O-CG 3.3Å; S690-Q694 WeakPolarHBondContact O-CG 3.41Å; S690-Q694 PolarHBondContact O-N 3.45Å; S690-Q694 PolarHBondContact OG-NE2 3.31Å |
| 691 | I | 73.8 | Confident | 73.8 | Confident | 105 Ų | 105 | 91 Ų | 91 | 54% | 0.538 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 176 | -69.8 | 164.4 | 0 | 0 | 0 | 110.6 | Q687 F688 T693 Q694 F695 | Q687-I691 VanDerWaalsContact O-CG1 3.3Å; Q687-I691 WeakPolarHBondContact O-CG1 3.3Å; Q687-I691 PolarHBondContact O-N 3.46Å; F688-I691 PolarHBondContact O-N 3.08Å; F688-I691 VanDerWaalsContact O-N 3.16Å; I691-T693 VanDerWaalsContact C-N 3.35Å; I691-T693 PolarHBondContact O-N 2.98Å; I691-Q694 PolarHBondContact O-N 2.88Å; I691-F695 WeakPolarHBondContact O-CB 3.34Å; I691-F695 PolarHBondContact O-N 2.89Å |
| 692 | Q | 69.8 | Low | 73.2 | Confident | 76 Ų | 76 | 89.2 Ų | 89.2 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.5 | -176.2 | 179 | 2.3 | 0 | 0 | 111 | F688 F695 I696 | F688-Q692 VanDerWaalsContact O-CB 3.31Å; F688-Q692 WeakPolarHBondContact O-CB 3.15Å; F688-Q692 PolarHBondContact O-N 2.9Å; Q692-F695 PolarHBondContact O-N 3.37Å; Q692-I696 HydrophobicContact CG-CD1 4Å; Q692-I696 WeakPolarHBondContact O-CB 3.35Å; Q692-I696 VanDerWaalsContact O-CG1 3.29Å; Q692-I696 WeakPolarHBondContact O-CG1 3.46Å; Q692-I696 PolarHBondContact O-N 2.81Å |
| 693 | T | 72.6 | Confident | 72.7 | Confident | 74 Ų | 74 | 87.8 Ų | 87.8 | 45% | 0.454 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.8 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | E689 S690 I691 I696 N697 | E689-T693 WeakPolarHBondContact O-CB 3.49Å; E689-T693 PolarHBondContact O-N 3.24Å; E689-T693 PolarHBondContact O-OG1 3.37Å; S690-T693 PolarHBondContact O-N 3.4Å; I691-T693 VanDerWaalsContact C-N 3.35Å; I691-T693 PolarHBondContact O-N 2.98Å; T693-I696 PolarHBondContact O-N 3.01Å; T693-N697 WeakPolarHBondContact O-CB 3.4Å; T693-N697 PolarHBondContact O-N 2.75Å; T693-N697 PolarHBondContact O-OD1 3.49Å |
| 694 | Q | 74.6 | Confident | 72.5 | Confident | 124 Ų | 124 | 88.6 Ų | 88.6 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 175.4 | -73.6 | 173.1 | 34.9 | 0 | 0 | 112.6 | S690 I691 K698 | S690-Q694 VanDerWaalsContact O-CG 3.3Å; S690-Q694 WeakPolarHBondContact O-CG 3.41Å; S690-Q694 PolarHBondContact O-N 3.45Å; S690-Q694 PolarHBondContact OG-NE2 3.31Å; I691-Q694 PolarHBondContact O-N 2.88Å; Q694-K698 WeakPolarHBondContact O-CB 3.34Å; Q694-K698 PolarHBondContact O-N 3.18Å |
| 695 | F | 72.3 | Confident | 72.5 | Confident | 137 Ų | 137 | 87.9 Ų | 87.9 | 60% | 0.601 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69 | -44.9 | 176.1 | -171.1 | -95 | 0 | 0 | 0 | 111.6 | I691 Q692 K698 C699 | I691-F695 WeakPolarHBondContact O-CB 3.34Å; I691-F695 PolarHBondContact O-N 2.89Å; Q692-F695 PolarHBondContact O-N 3.37Å; F695-K698 WeakPolarHBondContact O-CB 3.5Å; F695-K698 PolarHBondContact O-N 3.16Å; F695-C699 VanDerWaalsContact CE1-SG 3.58Å; F695-C699 PolarHBondContact O-N 2.86Å; F695-C699 PolarHBondContact O-SG 2.83Å; F695-C699 VanDerWaalsContact O-SG 3.4Å |
| 696 | I | 70.6 | Confident | 72.1 | Confident | 45 Ų | 45 | 87.8 Ų | 87.8 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.1 | -51.5 | 173.7 | -69.7 | 166.8 | 0 | 0 | 0 | 110.2 | Q692 T693 K698 C699 E700 | Q692-I696 HydrophobicContact CG-CD1 4Å; Q692-I696 WeakPolarHBondContact O-CB 3.35Å; Q692-I696 VanDerWaalsContact O-CG1 3.29Å; Q692-I696 WeakPolarHBondContact O-CG1 3.46Å; Q692-I696 PolarHBondContact O-N 2.81Å; T693-I696 PolarHBondContact O-N 3.01Å; I696-K698 PolarHBondContact O-N 3.35Å; I696-C699 CarbonylContact O-C 3.56Å; I696-C699 PolarHBondContact O-N 3.44Å; I696-C699 VanDerWaalsContact O-N 3.1Å; I696-E700 HydrophobicContact CG2-CG 4.33Å; I696-E700 WeakPolarHBondContact O-CG 3.46Å; I696-E700 PolarHBondContact O-N 3.15Å |
| 697 | N | 74.5 | Confident | 71.8 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.5 | -34.4 | 177.1 | -67.8 | -1.4 | 0 | 0 | 0 | 112.2 | T693 S701 | T693-N697 WeakPolarHBondContact O-CB 3.4Å; T693-N697 PolarHBondContact O-N 2.75Å; T693-N697 PolarHBondContact O-OD1 3.49Å; N697-S701 WeakPolarHBondContact O-CB 3.28Å; N697-S701 PolarHBondContact O-N 3.02Å; N697-S701 PolarHBondContact O-OG 3.39Å |
| 698 | K | 75.6 | Confident | 71.7 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 47% | 0.47 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.3 | -50.3 | 174.4 | -172.6 | -174.1 | 171.4 | -153 | 0 | 110.8 | Q694 F695 I696 E700 S701 E702 | Q694-K698 WeakPolarHBondContact O-CB 3.34Å; Q694-K698 PolarHBondContact O-N 3.18Å; F695-K698 WeakPolarHBondContact O-CB 3.5Å; F695-K698 PolarHBondContact O-N 3.16Å; I696-K698 PolarHBondContact O-N 3.35Å; K698-E700 VanDerWaalsContact C-N 3.32Å; K698-E700 PolarHBondContact O-N 2.93Å; K698-S701 PolarHBondContact O-N 2.83Å; K698-S701 PolarHBondContact O-OG 3.43Å; K698-E702 VanDerWaalsContact CE-CD 3.42Å; K698-E702 WeakPolarHBondContact CE-OE1 3.24Å; K698-E702 IonicContact NZ-OE1 2.8Å; K698-E702 PolarHBondContact NZ-OE1 3.29Å; K698-E702 IonicContact NZ-OE2 2.7Å; K698-E702 PolarHBondContact O-N 3.41Å |
| 699 | C | 61.7 | Low | 71.8 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 177.5 | -67 | 0 | 0 | 0 | 0 | 112.7 | F695 I696 S703 | F695-C699 VanDerWaalsContact CE1-SG 3.58Å; F695-C699 PolarHBondContact O-N 2.86Å; F695-C699 PolarHBondContact O-SG 2.83Å; F695-C699 VanDerWaalsContact O-SG 3.4Å; I696-C699 CarbonylContact O-C 3.56Å; I696-C699 PolarHBondContact O-N 3.44Å; I696-C699 VanDerWaalsContact O-N 3.1Å; C699-S703 WeakPolarHBondContact O-CB 3.2Å; C699-S703 PolarHBondContact O-N 3.23Å |
| 700 | E | 65.5 | Low | 71.8 | Confident | 68 Ų | 68 | 84.2 Ų | 84.2 | 32% | 0.318 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 169.4 | -73.8 | -178.1 | 169.8 | 0 | 0 | 110.7 | I696 K698 S703 V704 Y1176 | I696-E700 HydrophobicContact CG2-CG 4.33Å; I696-E700 WeakPolarHBondContact O-CG 3.46Å; I696-E700 PolarHBondContact O-N 3.15Å; K698-E700 VanDerWaalsContact C-N 3.32Å; K698-E700 PolarHBondContact O-N 2.93Å; E700-S703 PolarHBondContact O-N 2.82Å; E700-V704 WeakPolarHBondContact O-CG2 3.29Å; E700-V704 PolarHBondContact O-N 3.42Å; E700-Y1176 PolarHBondContact OE1-OH 2.82Å |
| 701 | S | 70.8 | Confident | 71.5 | Confident | 70 Ų | 70 | 87.7 Ų | 87.7 | 49% | 0.49 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.5 | 75 | 0 | 0 | 0 | 0 | 113.5 | N697 K698 V704 S705 | N697-S701 WeakPolarHBondContact O-CB 3.28Å; N697-S701 PolarHBondContact O-N 3.02Å; N697-S701 PolarHBondContact O-OG 3.39Å; K698-S701 PolarHBondContact O-N 2.83Å; K698-S701 PolarHBondContact O-OG 3.43Å; S701-V704 PolarHBondContact O-N 2.81Å; S701-S705 PolarHBondContact O-N 2.85Å |
| 702 | E | 64.5 | Low | 71.7 | Confident | 79 Ų | 79 | 87.2 Ų | 87.2 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 174.1 | -72.9 | 175 | 157.2 | 0 | 0 | 110.5 | K698 S705 H706 | K698-E702 VanDerWaalsContact CE-CD 3.42Å; K698-E702 WeakPolarHBondContact CE-OE1 3.24Å; K698-E702 IonicContact NZ-OE1 2.8Å; K698-E702 PolarHBondContact NZ-OE1 3.29Å; K698-E702 IonicContact NZ-OE2 2.7Å; K698-E702 PolarHBondContact O-N 3.41Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 3.33Å; E702-H706 PolarHBondContact O-N 3.05Å; E702-H706 PolarHBondContact O-ND1 2.86Å |
| 703 | S | 65.7 | Low | 72.1 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 43% | 0.434 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | C699 E700 N707 | C699-S703 WeakPolarHBondContact O-CB 3.2Å; C699-S703 PolarHBondContact O-N 3.23Å; E700-S703 PolarHBondContact O-N 2.82Å; S703-N707 WeakPolarHBondContact O-CB 3.39Å; S703-N707 PolarHBondContact O-N 3.44Å; S703-N707 PolarHBondContact O-ND2 3.46Å |
| 704 | V | 74.5 | Confident | 72.2 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.2 | -37.8 | 172.9 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | E700 S701 N707 T708 | E700-V704 WeakPolarHBondContact O-CG2 3.29Å; E700-V704 PolarHBondContact O-N 3.42Å; S701-V704 PolarHBondContact O-N 2.81Å; V704-N707 PolarHBondContact O-N 2.86Å; V704-T708 WeakPolarHBondContact O-CB 3.36Å; V704-T708 PolarHBondContact O-N 3.48Å; V704-T708 PolarHBondContact O-OG1 3.24Å |
| 705 | S | 73.8 | Confident | 72.5 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -51.9 | 173.1 | -158.9 | 0 | 0 | 0 | 0 | 111.3 | S701 E702 N707 T708 E709 | S701-S705 PolarHBondContact O-N 2.85Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 3.33Å; S705-N707 VanDerWaalsContact C-N 3.34Å; S705-N707 PolarHBondContact O-N 3.42Å; S705-T708 WeakPolarHBondContact O-CB 3.24Å; S705-T708 PolarHBondContact O-N 2.91Å; S705-E709 PolarHBondContact O-N 2.88Å; S705-E709 PolarHBondContact OG-OE1 2.93Å |
| 706 | H | 73 | Confident | 72.9 | Confident | 113 Ų | 113 | 88.5 Ų | 88.5 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -34.7 | 178.5 | -70.1 | 93.2 | 0 | 0 | 0 | 112.7 | E702 E709 L710 | E702-H706 PolarHBondContact O-N 3.05Å; E702-H706 PolarHBondContact O-ND1 2.86Å; H706-E709 PolarHBondContact O-N 2.9Å; H706-L710 WeakPolarHBondContact O-CB 3.22Å; H706-L710 VanDerWaalsContact O-CG 3.32Å; H706-L710 WeakPolarHBondContact O-CG 3.49Å; H706-L710 PolarHBondContact O-N 3.03Å |
| 707 | N | 72.6 | Confident | 73.3 | Confident | 92 Ų | 92 | 90.6 Ų | 90.6 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 171.2 | -88.3 | -63.9 | 0 | 0 | 0 | 112.2 | S703 V704 S705 L710 Q711 | S703-N707 WeakPolarHBondContact O-CB 3.39Å; S703-N707 PolarHBondContact O-N 3.44Å; S703-N707 PolarHBondContact O-ND2 3.46Å; V704-N707 PolarHBondContact O-N 2.86Å; S705-N707 VanDerWaalsContact C-N 3.34Å; S705-N707 PolarHBondContact O-N 3.42Å; N707-L710 PolarHBondContact O-N 2.88Å; N707-Q711 VanDerWaalsContact O-CB 3.24Å; N707-Q711 WeakPolarHBondContact O-CB 3.19Å; N707-Q711 PolarHBondContact O-N 3.46Å |
| 708 | T | 76.9 | Confident | 73.7 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | V704 S705 Q711 N712 | V704-T708 WeakPolarHBondContact O-CB 3.36Å; V704-T708 PolarHBondContact O-N 3.48Å; V704-T708 PolarHBondContact O-OG1 3.24Å; S705-T708 WeakPolarHBondContact O-CB 3.24Å; S705-T708 PolarHBondContact O-N 2.91Å; T708-Q711 PolarHBondContact O-N 3.36Å; T708-N712 WeakPolarHBondContact O-CB 3.25Å; T708-N712 PolarHBondContact O-N 3.43Å; T708-N712 PolarHBondContact O-ND2 3.4Å |
| 709 | E | 74.4 | Confident | 74 | Confident | 98 Ų | 98 | 89.1 Ų | 89.1 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 173.2 | -73.5 | 171.9 | -146.8 | 0 | 0 | 112.1 | S705 H706 Q711 N712 I713 | S705-E709 PolarHBondContact O-N 2.88Å; S705-E709 PolarHBondContact OG-OE1 2.93Å; H706-E709 PolarHBondContact O-N 2.9Å; E709-Q711 VanDerWaalsContact C-N 3.34Å; E709-Q711 PolarHBondContact O-N 2.71Å; E709-N712 PolarHBondContact O-N 2.93Å; E709-I713 WeakPolarHBondContact O-CB 3.3Å; E709-I713 VanDerWaalsContact O-CG1 3.25Å; E709-I713 WeakPolarHBondContact O-CG1 3.43Å; E709-I713 PolarHBondContact O-N 2.73Å |
| 710 | L | 73.2 | Confident | 74.8 | Confident | 102 Ų | 102 | 88.5 Ų | 88.5 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 172.6 | -80.6 | 166.8 | 0 | 0 | 0 | 112 | H706 N707 I713 Q714 | H706-L710 WeakPolarHBondContact O-CB 3.22Å; H706-L710 VanDerWaalsContact O-CG 3.32Å; H706-L710 WeakPolarHBondContact O-CG 3.49Å; H706-L710 PolarHBondContact O-N 3.03Å; N707-L710 PolarHBondContact O-N 2.88Å; L710-I713 PolarHBondContact O-N 3.19Å; L710-Q714 WeakPolarHBondContact O-CB 3.44Å; L710-Q714 PolarHBondContact O-N 3.37Å |
| 711 | Q | 72.4 | Confident | 75.5 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.6 | -34.8 | 178 | -168.9 | 169.4 | 6.2 | 0 | 0 | 111.9 | N707 T708 E709 T715 | N707-Q711 VanDerWaalsContact O-CB 3.24Å; N707-Q711 WeakPolarHBondContact O-CB 3.19Å; N707-Q711 PolarHBondContact O-N 3.46Å; T708-Q711 PolarHBondContact O-N 3.36Å; E709-Q711 VanDerWaalsContact C-N 3.34Å; E709-Q711 PolarHBondContact O-N 2.71Å; Q711-T715 WeakPolarHBondContact O-CB 3.27Å; Q711-T715 PolarHBondContact O-N 2.97Å; Q711-T715 PolarHBondContact O-OG1 3.21Å |
| 712 | N | 77 | Confident | 76.2 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -49.6 | 170.1 | -73.5 | -27.7 | 0 | 0 | 0 | 111.3 | T708 E709 Q714 T715 E716 | T708-N712 WeakPolarHBondContact O-CB 3.25Å; T708-N712 PolarHBondContact O-N 3.43Å; T708-N712 PolarHBondContact O-ND2 3.4Å; E709-N712 PolarHBondContact O-N 2.93Å; N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-Q714 PolarHBondContact O-N 2.73Å; N712-T715 CarbonylContact O-C 3.54Å; N712-T715 WeakPolarHBondContact O-CA 3.18Å; N712-T715 WeakPolarHBondContact O-CB 3.17Å; N712-T715 PolarHBondContact O-N 2.93Å; N712-E716 PolarHBondContact O-N 3.01Å |
| 713 | I | 78.8 | Confident | 77.1 | Confident | 91 Ų | 91 | 99.1 Ų | 99.1 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.3 | -70.3 | 163.7 | 0 | 0 | 0 | 111.1 | E709 L710 T715 E716 L717 | E709-I713 WeakPolarHBondContact O-CB 3.3Å; E709-I713 VanDerWaalsContact O-CG1 3.25Å; E709-I713 WeakPolarHBondContact O-CG1 3.43Å; E709-I713 PolarHBondContact O-N 2.73Å; L710-I713 PolarHBondContact O-N 3.19Å; I713-T715 VanDerWaalsContact C-N 3.32Å; I713-T715 PolarHBondContact O-N 3.48Å; I713-E716 PolarHBondContact O-N 3.29Å; I713-L717 HydrophobicContact CG2-CD1 4.1Å; I713-L717 WeakPolarHBondContact O-CB 3.4Å; I713-L717 WeakPolarHBondContact O-CG 3.07Å; I713-L717 PolarHBondContact O-N 3.18Å |
| 714 | Q | 74.5 | Confident | 77.8 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.1 | -30.7 | 176.1 | -171.2 | 169.6 | -1.7 | 0 | 0 | 111.9 | L710 N712 T718 | L710-Q714 WeakPolarHBondContact O-CB 3.44Å; L710-Q714 PolarHBondContact O-N 3.37Å; N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-Q714 PolarHBondContact O-N 2.73Å; Q714-T718 WeakPolarHBondContact O-CB 3.47Å; Q714-T718 PolarHBondContact O-N 3.15Å; Q714-T718 PolarHBondContact O-OG1 3.49Å |
| 715 | T | 81.3 | Confident | 78.1 | Confident | 83 Ų | 83 | 102.1 Ų | 102.1 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.7 | -45.8 | 171.8 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | Q711 N712 I713 L717 T718 E719 | Q711-T715 WeakPolarHBondContact O-CB 3.27Å; Q711-T715 PolarHBondContact O-N 2.97Å; Q711-T715 PolarHBondContact O-OG1 3.21Å; N712-T715 CarbonylContact O-C 3.54Å; N712-T715 WeakPolarHBondContact O-CA 3.18Å; N712-T715 WeakPolarHBondContact O-CB 3.17Å; N712-T715 PolarHBondContact O-N 2.93Å; I713-T715 VanDerWaalsContact C-N 3.32Å; I713-T715 PolarHBondContact O-N 3.48Å; T715-L717 PolarHBondContact O-N 3.48Å; T715-T718 PolarHBondContact O-N 3.45Å; T715-E719 PolarHBondContact O-N 3.05Å |
| 716 | E | 80.7 | Confident | 78.5 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -42.2 | 174.5 | -72 | -167 | 168.4 | 0 | 0 | 111.6 | N712 I713 E719 A720 | N712-E716 PolarHBondContact O-N 3.01Å; I713-E716 PolarHBondContact O-N 3.29Å; E716-E719 PolarHBondContact O-N 3.48Å; E716-A720 VanDerWaalsContact O-CB 3.26Å; E716-A720 WeakPolarHBondContact O-CB 3.14Å; E716-A720 PolarHBondContact O-N 3.27Å |
| 717 | L | 78.6 | Confident | 79 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 171.7 | -84 | 166.3 | 0 | 0 | 0 | 111.8 | I713 T715 E719 A720 Y721 | I713-L717 HydrophobicContact CG2-CD1 4.1Å; I713-L717 WeakPolarHBondContact O-CB 3.4Å; I713-L717 WeakPolarHBondContact O-CG 3.07Å; I713-L717 PolarHBondContact O-N 3.18Å; T715-L717 PolarHBondContact O-N 3.48Å; L717-E719 VanDerWaalsContact C-N 3.31Å; L717-E719 PolarHBondContact O-N 2.98Å; L717-A720 PolarHBondContact O-N 3.34Å; L717-Y721 HydrophobicContact CB-CE2 4.47Å; L717-Y721 HydrophobicContact CD2-CE2 4.24Å; L717-Y721 WeakPolarHBondContact O-CD2 2.94Å; L717-Y721 PolarHBondContact O-N 2.97Å |
| 718 | T | 82.1 | Confident | 79.2 | Confident | 69 Ų | 69 | 104.3 Ų | 104.3 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | Q714 T715 K722 | Q714-T718 WeakPolarHBondContact O-CB 3.47Å; Q714-T718 PolarHBondContact O-N 3.15Å; Q714-T718 PolarHBondContact O-OG1 3.49Å; T715-T718 PolarHBondContact O-N 3.45Å; T718-K722 WeakPolarHBondContact O-CG 3.13Å; T718-K722 PolarHBondContact O-N 3.46Å |
| 719 | E | 81.5 | Confident | 79.4 | Confident | 96 Ų | 96 | 104.7 Ų | 104.7 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.2 | -36.4 | 174.9 | -148.8 | -165.2 | 138.6 | 0 | 0 | 112.2 | T715 E716 L717 K722 R723 | T715-E719 PolarHBondContact O-N 3.05Å; E716-E719 PolarHBondContact O-N 3.48Å; L717-E719 VanDerWaalsContact C-N 3.31Å; L717-E719 PolarHBondContact O-N 2.98Å; E719-K722 PolarHBondContact O-N 3.05Å; E719-R723 VanDerWaalsContact CD-NH2 3.29Å; E719-R723 WeakPolarHBondContact O-CB 3.48Å; E719-R723 VanDerWaalsContact O-CG 3.24Å; E719-R723 WeakPolarHBondContact O-CG 3.37Å; E719-R723 PolarHBondContact O-N 3.31Å; E719-R723 IonicContact OE1-CZ 2.82Å; E719-R723 IonicContact OE1-NE 3.7Å; E719-R723 PolarHBondContact OE1-NE 3.01Å; E719-R723 IonicContact OE1-NH2 2.75Å; E719-R723 PolarHBondContact OE1-NH2 2.8Å; E719-R723 IonicContact OE2-NH2 3.86Å |
| 720 | A | 79.9 | Confident | 79.7 | Confident | 38 Ų | 38 | 105.2 Ų | 105.2 | 31% | 0.314 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E716 L717 R723 I724 | E716-A720 VanDerWaalsContact O-CB 3.26Å; E716-A720 WeakPolarHBondContact O-CB 3.14Å; E716-A720 PolarHBondContact O-N 3.27Å; L717-A720 PolarHBondContact O-N 3.34Å; A720-R723 PolarHBondContact O-N 3.5Å; A720-I724 VanDerWaalsContact O-CG1 3.29Å; A720-I724 WeakPolarHBondContact O-CG1 3.24Å; A720-I724 PolarHBondContact O-N 3.01Å |
| 721 | Y | 80.1 | Confident | 80.1 | Confident | 158 Ų | 158 | 105.2 Ų | 105.2 | 62% | 0.62 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 173.9 | -77.7 | -60.6 | 0 | 0 | 0 | 112 | L717 R723 I724 E725 | L717-Y721 HydrophobicContact CB-CE2 4.47Å; L717-Y721 HydrophobicContact CD2-CE2 4.24Å; L717-Y721 WeakPolarHBondContact O-CD2 2.94Å; L717-Y721 PolarHBondContact O-N 2.97Å; Y721-R723 VanDerWaalsContact C-N 3.31Å; Y721-R723 PolarHBondContact O-N 3.22Å; Y721-I724 PolarHBondContact O-N 2.99Å; Y721-E725 WeakPolarHBondContact O-CB 3.27Å; Y721-E725 PolarHBondContact O-N 3.36Å |
| 722 | K | 84.7 | Confident | 80.5 | Confident | 134 Ų | 134 | 107.4 Ų | 107.4 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -36 | 174.3 | -74.1 | 176.4 | 179.2 | 177.4 | 0 | 113.1 | T718 E719 N726 | T718-K722 WeakPolarHBondContact O-CG 3.13Å; T718-K722 PolarHBondContact O-N 3.46Å; E719-K722 PolarHBondContact O-N 3.05Å; K722-N726 VanDerWaalsContact O-CB 3.29Å; K722-N726 WeakPolarHBondContact O-CB 3.18Å; K722-N726 PolarHBondContact O-N 3.45Å |
| 723 | R | 83.2 | Confident | 80.7 | Confident | 149 Ų | 149 | 105.8 Ų | 105.8 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.1 | -40.9 | 174.3 | -70.8 | 169.1 | -174.8 | -172.5 | 5 | 111.1 | E719 A720 Y721 L727 | E719-R723 VanDerWaalsContact CD-NH2 3.29Å; E719-R723 WeakPolarHBondContact O-CB 3.48Å; E719-R723 VanDerWaalsContact O-CG 3.24Å; E719-R723 WeakPolarHBondContact O-CG 3.37Å; E719-R723 PolarHBondContact O-N 3.31Å; E719-R723 IonicContact OE1-CZ 2.82Å; E719-R723 IonicContact OE1-NE 3.7Å; E719-R723 PolarHBondContact OE1-NE 3.01Å; E719-R723 IonicContact OE1-NH2 2.75Å; E719-R723 PolarHBondContact OE1-NH2 2.8Å; E719-R723 IonicContact OE2-NH2 3.86Å; A720-R723 PolarHBondContact O-N 3.5Å; Y721-R723 VanDerWaalsContact C-N 3.31Å; Y721-R723 PolarHBondContact O-N 3.22Å; R723-L727 WeakPolarHBondContact O-CB 3.49Å; R723-L727 VanDerWaalsContact O-CG 3.23Å; R723-L727 WeakPolarHBondContact O-CG 3.24Å; R723-L727 PolarHBondContact O-N 3.49Å |
| 724 | I | 81.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 175.4 | -69.9 | 163.7 | 0 | 0 | 0 | 111.2 | A720 Y721 N726 L727 Q728 | A720-I724 VanDerWaalsContact O-CG1 3.29Å; A720-I724 WeakPolarHBondContact O-CG1 3.24Å; A720-I724 PolarHBondContact O-N 3.01Å; Y721-I724 PolarHBondContact O-N 2.99Å; I724-N726 PolarHBondContact O-N 2.81Å; I724-L727 PolarHBondContact O-N 3.36Å; I724-Q728 WeakPolarHBondContact O-CG 3.48Å; I724-Q728 PolarHBondContact O-N 3.4Å |
| 725 | E | 80.2 | Confident | 80.9 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 177.1 | -177.4 | 178.1 | -147.3 | 0 | 0 | 111.7 | Y721 Q728 C729 | Y721-E725 WeakPolarHBondContact O-CB 3.27Å; Y721-E725 PolarHBondContact O-N 3.36Å; E725-Q728 PolarHBondContact O-N 3.49Å; E725-C729 PolarHBondContact O-N 3.34Å; E725-C729 PolarHBondContact O-SG 2.79Å |
| 726 | N | 82.1 | Confident | 80.8 | Confident | 92 Ų | 92 | 104.2 Ų | 104.2 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.4 | -167.3 | -12.6 | 0 | 0 | 0 | 111.7 | K722 I724 Q728 C729 Q730 | K722-N726 VanDerWaalsContact O-CB 3.29Å; K722-N726 WeakPolarHBondContact O-CB 3.18Å; K722-N726 PolarHBondContact O-N 3.45Å; I724-N726 PolarHBondContact O-N 2.81Å; N726-Q728 PolarHBondContact O-N 3.11Å; N726-C729 PolarHBondContact O-N 2.83Å; N726-Q730 WeakPolarHBondContact O-CG 3.27Å; N726-Q730 PolarHBondContact O-N 3.24Å; N726-Q730 PolarHBondContact OD1-NE2 2.7Å |
| 727 | L | 82.8 | Confident | 80.7 | Confident | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 173.9 | -74.7 | 168.6 | 0 | 0 | 0 | 112.6 | R723 I724 Q730 L731 | R723-L727 WeakPolarHBondContact O-CB 3.49Å; R723-L727 VanDerWaalsContact O-CG 3.23Å; R723-L727 WeakPolarHBondContact O-CG 3.24Å; R723-L727 PolarHBondContact O-N 3.49Å; I724-L727 PolarHBondContact O-N 3.36Å; L727-Q730 PolarHBondContact O-N 3.44Å; L727-L731 VanDerWaalsContact O-CB 3.27Å; L727-L731 WeakPolarHBondContact O-CB 3.25Å; L727-L731 PolarHBondContact O-N 3.18Å |
| 728 | Q | 77.8 | Confident | 80.5 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 172.1 | -78 | -175.6 | -42.5 | 0 | 0 | 111.4 | I724 E725 N726 L731 Y732 | I724-Q728 WeakPolarHBondContact O-CG 3.48Å; I724-Q728 PolarHBondContact O-N 3.4Å; E725-Q728 PolarHBondContact O-N 3.49Å; N726-Q728 PolarHBondContact O-N 3.11Å; Q728-L731 PolarHBondContact O-N 3.3Å; Q728-Y732 WeakPolarHBondContact O-CD2 3.45Å; Q728-Y732 PolarHBondContact O-N 3.37Å |
| 729 | C | 80.8 | Confident | 80.3 | Confident | 75 Ų | 75 | 105.1 Ų | 105.1 | 51% | 0.507 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.5 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | E725 N726 L731 Y732 S733 | E725-C729 PolarHBondContact O-N 3.34Å; E725-C729 PolarHBondContact O-SG 2.79Å; N726-C729 PolarHBondContact O-N 2.83Å; C729-L731 PolarHBondContact O-N 2.99Å; C729-Y732 PolarHBondContact O-N 3.39Å; C729-S733 PolarHBondContact O-N 3.43Å; C729-S733 PolarHBondContact O-OG 2.86Å |
| 730 | Q | 79.6 | Confident | 80.1 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.7 | -70.8 | 173.6 | 37.4 | 0 | 0 | 112.1 | N726 L727 S734 | N726-Q730 WeakPolarHBondContact O-CG 3.27Å; N726-Q730 PolarHBondContact O-N 3.24Å; N726-Q730 PolarHBondContact OD1-NE2 2.7Å; L727-Q730 PolarHBondContact O-N 3.44Å; Q730-S734 VanDerWaalsContact O-CB 3.27Å; Q730-S734 WeakPolarHBondContact O-CB 3.33Å; Q730-S734 PolarHBondContact O-N 2.72Å |
| 731 | L | 82.3 | Confident | 79.7 | Confident | 103 Ų | 103 | 109.7 Ų | 109.7 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.3 | -178.2 | 62.6 | 0 | 0 | 0 | 111.6 | L727 Q728 C729 S734 I735 | L727-L731 VanDerWaalsContact O-CB 3.27Å; L727-L731 WeakPolarHBondContact O-CB 3.25Å; L727-L731 PolarHBondContact O-N 3.18Å; Q728-L731 PolarHBondContact O-N 3.3Å; C729-L731 PolarHBondContact O-N 2.99Å; L731-S734 PolarHBondContact O-N 3.01Å; L731-I735 HydrophobicContact CD1-CD1 4.07Å; L731-I735 HydrophobicContact CD1-CG1 4.33Å; L731-I735 HydrophobicContact CG-CD1 3.9Å; L731-I735 WeakPolarHBondContact O-CB 3.14Å; L731-I735 VanDerWaalsContact O-CG1 3.27Å; L731-I735 WeakPolarHBondContact O-CG1 3.21Å; L731-I735 PolarHBondContact O-N 3.03Å |
| 732 | Y | 80.8 | Confident | 79.3 | Confident | 177 Ų | 177 | 104.6 Ų | 104.6 | 69% | 0.694 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 176 | -92.7 | -72.2 | 0 | 0 | 0 | 112.1 | Q728 C729 S734 I735 E736 | Q728-Y732 WeakPolarHBondContact O-CD2 3.45Å; Q728-Y732 PolarHBondContact O-N 3.37Å; C729-Y732 PolarHBondContact O-N 3.39Å; Y732-S734 VanDerWaalsContact C-N 3.31Å; Y732-S734 PolarHBondContact O-N 3.23Å; Y732-I735 PolarHBondContact O-N 2.87Å; Y732-E736 PolarHBondContact O-N 2.82Å |
| 733 | S | 82.2 | Confident | 78.8 | Confident | 61 Ų | 61 | 104.9 Ų | 104.9 | 43% | 0.427 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 176 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | C729 Q737 | C729-S733 PolarHBondContact O-N 3.43Å; C729-S733 PolarHBondContact O-OG 2.86Å; S733-Q737 WeakPolarHBondContact O-CB 3.16Å; S733-Q737 VanDerWaalsContact O-CG 3.25Å; S733-Q737 WeakPolarHBondContact O-CG 3.45Å; S733-Q737 PolarHBondContact O-N 2.91Å |
| 734 | S | 77.6 | Confident | 78.3 | Confident | 49 Ų | 49 | 100.2 Ų | 100.2 | 34% | 0.343 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 175.1 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | Q730 L731 Y732 Q737 N738 | Q730-S734 VanDerWaalsContact O-CB 3.27Å; Q730-S734 WeakPolarHBondContact O-CB 3.33Å; Q730-S734 PolarHBondContact O-N 2.72Å; L731-S734 PolarHBondContact O-N 3.01Å; Y732-S734 VanDerWaalsContact C-N 3.31Å; Y732-S734 PolarHBondContact O-N 3.23Å; S734-Q737 PolarHBondContact O-N 3.47Å; S734-N738 VanDerWaalsContact O-CB 3.26Å; S734-N738 WeakPolarHBondContact O-CB 3.29Å; S734-N738 PolarHBondContact O-N 3.18Å; S734-N738 PolarHBondContact O-ND2 3.12Å; S734-N738 PolarHBondContact OG-ND2 2.99Å |
| 735 | I | 79.7 | Confident | 77.5 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.3 | -70.6 | 166.1 | 0 | 0 | 0 | 110.8 | L731 Y732 N738 T739 | L731-I735 HydrophobicContact CD1-CD1 4.07Å; L731-I735 HydrophobicContact CD1-CG1 4.33Å; L731-I735 HydrophobicContact CG-CD1 3.9Å; L731-I735 WeakPolarHBondContact O-CB 3.14Å; L731-I735 VanDerWaalsContact O-CG1 3.27Å; L731-I735 WeakPolarHBondContact O-CG1 3.21Å; L731-I735 PolarHBondContact O-N 3.03Å; Y732-I735 PolarHBondContact O-N 2.87Å; I735-N738 PolarHBondContact O-N 3.29Å; I735-T739 HydrophobicContact CG2-CG2 4.43Å; I735-T739 WeakPolarHBondContact O-CB 3.41Å; I735-T739 WeakPolarHBondContact O-CG2 3.41Å; I735-T739 PolarHBondContact O-N 3.02Å; I735-T739 PolarHBondContact O-OG1 3.33Å |
| 736 | E | 78.6 | Confident | 76.6 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -47.7 | 176.7 | -171.9 | 171.1 | -152.3 | 0 | 0 | 111.5 | Y732 N738 T739 H740 | Y732-E736 PolarHBondContact O-N 2.82Å; E736-N738 PolarHBondContact O-N 2.93Å; E736-T739 PolarHBondContact O-N 2.84Å; E736-T739 PolarHBondContact O-OG1 3.07Å; E736-H740 PolarHBondContact O-N 2.84Å |
| 737 | Q | 78.3 | Confident | 75.6 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 174.6 | -74.1 | 173 | 5.7 | 0 | 0 | 112.2 | S733 S734 H740 L741 | S733-Q737 WeakPolarHBondContact O-CB 3.16Å; S733-Q737 VanDerWaalsContact O-CG 3.25Å; S733-Q737 WeakPolarHBondContact O-CG 3.45Å; S733-Q737 PolarHBondContact O-N 2.91Å; S734-Q737 PolarHBondContact O-N 3.47Å; Q737-H740 PolarHBondContact O-N 3.29Å; Q737-L741 WeakPolarHBondContact O-CB 3.15Å; Q737-L741 PolarHBondContact O-N 2.92Å |
| 738 | N | 74.8 | Confident | 74.4 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 179.6 | -73.8 | -32.2 | 0 | 0 | 0 | 112.5 | S734 I735 E736 H740 L741 A742 | S734-N738 VanDerWaalsContact O-CB 3.26Å; S734-N738 WeakPolarHBondContact O-CB 3.29Å; S734-N738 PolarHBondContact O-N 3.18Å; S734-N738 PolarHBondContact O-ND2 3.12Å; S734-N738 PolarHBondContact OG-ND2 2.99Å; I735-N738 PolarHBondContact O-N 3.29Å; E736-N738 PolarHBondContact O-N 2.93Å; N738-H740 VanDerWaalsContact C-N 3.35Å; N738-L741 PolarHBondContact O-N 3.32Å; N738-A742 VanDerWaalsContact O-CB 3.3Å; N738-A742 WeakPolarHBondContact O-CB 3.46Å; N738-A742 PolarHBondContact O-N 2.92Å |
| 739 | T | 78 | Confident | 73.5 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.2 | -29 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | I735 E736 | I735-T739 HydrophobicContact CG2-CG2 4.43Å; I735-T739 WeakPolarHBondContact O-CB 3.41Å; I735-T739 WeakPolarHBondContact O-CG2 3.41Å; I735-T739 PolarHBondContact O-N 3.02Å; I735-T739 PolarHBondContact O-OG1 3.33Å; E736-T739 PolarHBondContact O-N 2.84Å; E736-T739 PolarHBondContact O-OG1 3.07Å |
| 740 | H | 76.4 | Confident | 72.3 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.8 | -40.4 | 171.7 | -153.6 | -45.2 | 0 | 0 | 0 | 111.9 | E736 Q737 N738 K743 T744 | E736-H740 PolarHBondContact O-N 2.84Å; Q737-H740 PolarHBondContact O-N 3.29Å; N738-H740 VanDerWaalsContact C-N 3.35Å; H740-K743 PolarHBondContact O-N 2.91Å; H740-T744 PolarHBondContact O-N 3.06Å; H740-T744 PolarHBondContact O-OG1 3.43Å |
| 741 | L | 72.4 | Confident | 71.3 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.6 | -163.8 | 76.7 | 0 | 0 | 0 | 111.3 | Q737 N738 K743 T744 M745 | Q737-L741 WeakPolarHBondContact O-CB 3.15Å; Q737-L741 PolarHBondContact O-N 2.92Å; N738-L741 PolarHBondContact O-N 3.32Å; L741-K743 VanDerWaalsContact C-N 3.33Å; L741-K743 PolarHBondContact O-N 2.65Å; L741-T744 PolarHBondContact O-N 2.87Å; L741-M745 HydrophobicContact CD2-SD 4.24Å; L741-M745 HydrophobicContact CG-CG 4.47Å; L741-M745 HydrophobicContact CG-SD 4.15Å; L741-M745 WeakPolarHBondContact O-CB 3.21Å; L741-M745 WeakPolarHBondContact O-CG 3.45Å; L741-M745 PolarHBondContact O-N 3.3Å |
| 742 | A | 71.6 | Confident | 70.1 | Confident | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N738 M745 E746 | N738-A742 VanDerWaalsContact O-CB 3.3Å; N738-A742 WeakPolarHBondContact O-CB 3.46Å; N738-A742 PolarHBondContact O-N 2.92Å; A742-M745 PolarHBondContact O-N 3.14Å; A742-E746 WeakPolarHBondContact O-CG 3.26Å; A742-E746 PolarHBondContact O-N 3.47Å |
| 743 | K | 74 | Confident | 69 | Low | 139 Ų | 139 | 102.6 Ų | 102.6 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 175.3 | -74.2 | 176.7 | 177 | 174.8 | 0 | 112.4 | H740 L741 M745 E746 E747 | H740-K743 PolarHBondContact O-N 2.91Å; L741-K743 VanDerWaalsContact C-N 3.33Å; L741-K743 PolarHBondContact O-N 2.65Å; K743-M745 VanDerWaalsContact C-N 3.3Å; K743-M745 PolarHBondContact O-N 3.48Å; K743-E746 PolarHBondContact O-N 2.81Å; K743-E747 PolarHBondContact O-N 3.39Å; K743-E747 VanDerWaalsContact O-N 3.11Å |
| 744 | T | 73.7 | Confident | 68.1 | Low | 51 Ų | 51 | 104.3 Ų | 104.3 | 31% | 0.313 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 177.8 | -55 | 0 | 0 | 0 | 0 | 111.5 | H740 L741 E747 E748 | H740-T744 PolarHBondContact O-N 3.06Å; H740-T744 PolarHBondContact O-OG1 3.43Å; L741-T744 PolarHBondContact O-N 2.87Å; T744-E747 PolarHBondContact O-N 3.42Å; T744-E748 HydrophobicContact CG2-CG 4.4Å; T744-E748 PolarHBondContact O-N 3.18Å |
| 745 | M | 64.1 | Low | 67.4 | Low | 85 Ų | 85 | 109 Ų | 109 | 42% | 0.419 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.5 | -37.4 | 174 | -71.3 | 178.8 | 68.7 | 0 | 0 | 112.9 | L741 A742 K743 E747 H749 | L741-M745 HydrophobicContact CD2-SD 4.24Å; L741-M745 HydrophobicContact CG-CG 4.47Å; L741-M745 HydrophobicContact CG-SD 4.15Å; L741-M745 WeakPolarHBondContact O-CB 3.21Å; L741-M745 WeakPolarHBondContact O-CG 3.45Å; L741-M745 PolarHBondContact O-N 3.3Å; A742-M745 PolarHBondContact O-N 3.14Å; K743-M745 VanDerWaalsContact C-N 3.3Å; K743-M745 PolarHBondContact O-N 3.48Å; M745-E747 VanDerWaalsContact C-N 3.27Å; M745-E747 PolarHBondContact O-N 2.8Å; M745-H749 WeakPolarHBondContact CE-NE2 3.25Å; M745-H749 VanDerWaalsContact O-CB 3.25Å; M745-H749 WeakPolarHBondContact O-CB 3.14Å; M745-H749 PolarHBondContact O-CD2 2.94Å; M745-H749 PolarHBondContact O-N 3.35Å |
| 746 | E | 61.9 | Low | 66.4 | Low | 153 Ų | 153 | 113 Ų | 113 | 72% | 0.715 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -32.7 | 172.2 | -75.6 | -175.8 | 150.4 | 0 | 0 | 112.3 | A742 K743 | A742-E746 WeakPolarHBondContact O-CG 3.26Å; A742-E746 PolarHBondContact O-N 3.47Å; K743-E746 PolarHBondContact O-N 2.81Å |
| 747 | E | 60.1 | Low | 65.7 | Low | 156 Ų | 156 | 113.5 Ų | 113.5 | 73% | 0.729 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78.1 | -40.7 | 175.5 | -68.9 | 179.7 | 162.1 | 0 | 0 | 112.9 | K743 T744 M745 | K743-E747 PolarHBondContact O-N 3.39Å; K743-E747 VanDerWaalsContact O-N 3.11Å; T744-E747 PolarHBondContact O-N 3.42Å; M745-E747 VanDerWaalsContact C-N 3.27Å; M745-E747 PolarHBondContact O-N 2.8Å |
| 748 | E | 58.5 | Low | 65.2 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -83.1 | -25.1 | -177.1 | -71.5 | -169.5 | 149.4 | 0 | 0 | 115 | T744 V750 T752 | T744-E748 HydrophobicContact CG2-CG 4.4Å; T744-E748 PolarHBondContact O-N 3.18Å; E748-V750 VanDerWaalsContact C-N 3.25Å; E748-V750 PolarHBondContact O-N 3.11Å; E748-T752 WeakPolarHBondContact O-CG2 3.46Å; E748-T752 PolarHBondContact O-N 3.35Å; E748-T752 PolarHBondContact O-OG1 3.29Å |
| 749 | H | 57.9 | Low | 65 | Low | 99 Ų | 99 | 116.2 Ų | 116.2 | 46% | 0.458 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.6 | -16 | -176.4 | -87.2 | -47.5 | 0 | 0 | 0 | 114.9 | M745 | M745-H749 WeakPolarHBondContact CE-NE2 3.25Å; M745-H749 VanDerWaalsContact O-CB 3.25Å; M745-H749 WeakPolarHBondContact O-CB 3.14Å; M745-H749 PolarHBondContact O-CD2 2.94Å; M745-H749 PolarHBondContact O-N 3.35Å |
| 750 | V | 56.4 | Low | 64.8 | Low | 117 Ų | 117 | 116 Ų | 116 | 71% | 0.709 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.4 | -40.7 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | E748 | E748-V750 VanDerWaalsContact C-N 3.25Å; E748-V750 PolarHBondContact O-N 3.11Å |
| 751 | D | 57.8 | Low | 64.5 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -92.6 | -36.2 | -176.4 | -73.6 | -24.5 | 0 | 0 | 0 | 112.8 | L753 | D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 2.89Å |
| 752 | T | 56.7 | Low | 64.5 | Low | 50 Ų | 50 | 119.5 Ų | 119.5 | 31% | 0.307 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.6 | -23.1 | -172.6 | 50.7 | 0 | 0 | 0 | 0 | 114.9 | E748 S754 E755 Y756 | E748-T752 WeakPolarHBondContact O-CG2 3.46Å; E748-T752 PolarHBondContact O-N 3.35Å; E748-T752 PolarHBondContact O-OG1 3.29Å; T752-S754 PolarHBondContact O-N 3.18Å; T752-S754 VanDerWaalsContact O-N 3.13Å; T752-E755 PolarHBondContact O-N 3.43Å; T752-Y756 PolarHBondContact O-N 3.07Å |
| 753 | L | 58.7 | Low | 64.4 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61 | -27.7 | -174.9 | -136.8 | 80.5 | 0 | 0 | 0 | 113.2 | D751 | D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 2.89Å |
| 754 | S | 63.4 | Low | 64.3 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.6 | -22.5 | -178.7 | -169.1 | 0 | 0 | 0 | 0 | 114.3 | T752 | T752-S754 PolarHBondContact O-N 3.18Å; T752-S754 VanDerWaalsContact O-N 3.13Å |
| 755 | E | 62.9 | Low | 64.5 | Low | 148 Ų | 148 | 124.2 Ų | 124.2 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -89 | -37.6 | 178.9 | -65.4 | -162.2 | 136.6 | 0 | 0 | 111.8 | T752 Q757 Q758 H759 | T752-E755 PolarHBondContact O-N 3.43Å; E755-Q757 VanDerWaalsContact C-N 3.26Å; E755-Q757 PolarHBondContact O-N 3.22Å; E755-Q758 WeakPolarHBondContact O-CB 3.42Å; E755-Q758 PolarHBondContact O-N 3.21Å; E755-H759 PolarHBondContact O-N 2.93Å |
| 756 | Y | 57.4 | Low | 65.1 | Low | 169 Ų | 169 | 125.3 Ų | 125.3 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.9 | -38 | 177 | -94 | -82.7 | 0 | 0 | 0 | 113.1 | T752 Q758 H759 V760 | T752-Y756 PolarHBondContact O-N 3.07Å; Y756-Q758 PolarHBondContact O-N 3.24Å; Y756-H759 PolarHBondContact O-N 3.45Å; Y756-V760 WeakPolarHBondContact O-CG2 3.34Å; Y756-V760 PolarHBondContact O-N 2.99Å |
| 757 | Q | 64.2 | Low | 65.6 | Low | 148 Ų | 148 | 121.4 Ų | 121.4 | 69% | 0.692 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.9 | -25.9 | 179.6 | -162.1 | 170.7 | 19.2 | 0 | 0 | 113 | E755 | E755-Q757 VanDerWaalsContact C-N 3.26Å; E755-Q757 PolarHBondContact O-N 3.22Å |
| 758 | Q | 68.9 | Low | 66.4 | Low | 151 Ų | 151 | 119.1 Ų | 119.1 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -78.3 | -41.7 | 174.5 | -163.8 | 74.4 | 1.5 | 0 | 0 | 111.4 | E755 Y756 V760 Y761 | E755-Q758 WeakPolarHBondContact O-CB 3.42Å; E755-Q758 PolarHBondContact O-N 3.21Å; Y756-Q758 PolarHBondContact O-N 3.24Å; Q758-V760 PolarHBondContact O-N 2.89Å; Q758-Y761 PolarHBondContact O-N 3.15Å |
| 759 | H | 70.8 | Confident | 67.2 | Low | 134 Ų | 134 | 118.8 Ų | 118.8 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -33.4 | -175.9 | -112.2 | -61.9 | 0 | 0 | 0 | 114.1 | E755 Y756 Y761 E762 L763 | E755-H759 PolarHBondContact O-N 2.93Å; Y756-H759 PolarHBondContact O-N 3.45Å; H759-Y761 VanDerWaalsContact C-N 3.27Å; H759-Y761 PolarHBondContact O-N 3.37Å; H759-E762 PolarHBondContact O-N 3.32Å; H759-L763 PolarHBondContact O-N 3.23Å |
| 760 | V | 72.5 | Confident | 67.8 | Low | 76 Ų | 76 | 116.5 Ų | 116.5 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -34.1 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | Y756 Q758 E762 L763 I764 | Y756-V760 WeakPolarHBondContact O-CG2 3.34Å; Y756-V760 PolarHBondContact O-N 2.99Å; Q758-V760 PolarHBondContact O-N 2.89Å; V760-E762 PolarHBondContact O-N 2.85Å; V760-L763 PolarHBondContact O-N 3.11Å; V760-I764 HydrophobicContact CG1-CD1 4Å; V760-I764 WeakPolarHBondContact O-CG1 3.31Å; V760-I764 PolarHBondContact O-N 2.77Å |
| 761 | Y | 70.9 | Confident | 68.4 | Low | 180 Ų | 180 | 114.2 Ų | 114.2 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.4 | -32.5 | -179.4 | -94.8 | -76.7 | 0 | 0 | 0 | 113.8 | Q758 H759 | Q758-Y761 PolarHBondContact O-N 3.15Å; H759-Y761 VanDerWaalsContact C-N 3.27Å; H759-Y761 PolarHBondContact O-N 3.37Å |
| 762 | E | 72.4 | Confident | 69.1 | Low | 126 Ų | 126 | 113.5 Ų | 113.5 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.7 | -39.2 | 174.5 | -74.9 | -113.1 | 114.9 | 0 | 0 | 111.9 | H759 V760 I764 K765 L766 | H759-E762 PolarHBondContact O-N 3.32Å; V760-E762 PolarHBondContact O-N 2.85Å; E762-I764 VanDerWaalsContact C-N 3.34Å; E762-I764 PolarHBondContact O-N 3.33Å; E762-K765 WeakPolarHBondContact O-CB 3.3Å; E762-K765 PolarHBondContact O-N 2.92Å; E762-K765 VanDerWaalsContact O-N 3.1Å; E762-L766 PolarHBondContact O-N 3.17Å |
| 763 | L | 68.3 | Low | 69.9 | Low | 116 Ų | 116 | 116.7 Ų | 116.7 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.7 | -41.5 | 178.6 | -95.9 | 161.9 | 0 | 0 | 0 | 112.8 | H759 V760 K765 L766 S767 | H759-L763 PolarHBondContact O-N 3.23Å; V760-L763 PolarHBondContact O-N 3.11Å; L763-K765 VanDerWaalsContact C-N 3.25Å; L763-K765 PolarHBondContact O-N 3.47Å; L763-L766 PolarHBondContact O-N 2.83Å; L763-S767 WeakPolarHBondContact O-CB 3.41Å; L763-S767 PolarHBondContact O-N 3.19Å; L763-S767 VanDerWaalsContact O-N 3.08Å |
| 764 | I | 73.6 | Confident | 70.4 | Confident | 99 Ų | 99 | 116.2 Ų | 116.2 | 51% | 0.508 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -34.7 | 176.7 | -68.1 | 167.1 | 0 | 0 | 0 | 111.4 | V760 E762 N768 | V760-I764 HydrophobicContact CG1-CD1 4Å; V760-I764 WeakPolarHBondContact O-CG1 3.31Å; V760-I764 PolarHBondContact O-N 2.77Å; E762-I764 VanDerWaalsContact C-N 3.34Å; E762-I764 PolarHBondContact O-N 3.33Å; I764-N768 PolarHBondContact O-ND2 2.89Å |
| 765 | K | 77.2 | Confident | 70.9 | Confident | 124 Ų | 124 | 117.5 Ų | 117.5 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.3 | -50.2 | 178 | -175.1 | -169.3 | 168.7 | -160.1 | 0 | 111.5 | E762 L763 S767 N768 | E762-K765 WeakPolarHBondContact O-CB 3.3Å; E762-K765 PolarHBondContact O-N 2.92Å; E762-K765 VanDerWaalsContact O-N 3.1Å; L763-K765 VanDerWaalsContact C-N 3.25Å; L763-K765 PolarHBondContact O-N 3.47Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-S767 PolarHBondContact O-N 3.5Å; K765-N768 PolarHBondContact O-N 2.82Å |
| 766 | L | 76.2 | Confident | 71.3 | Confident | 109 Ų | 109 | 116.5 Ų | 116.5 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -36.4 | -179.3 | -73.7 | 166.4 | 0 | 0 | 0 | 112.6 | E762 L763 N768 E769 A770 | E762-L766 PolarHBondContact O-N 3.17Å; L763-L766 PolarHBondContact O-N 2.83Å; L766-N768 VanDerWaalsContact C-N 3.32Å; L766-N768 PolarHBondContact O-N 2.98Å; L766-E769 PolarHBondContact O-N 2.85Å; L766-A770 PolarHBondContact O-N 2.87Å |
| 767 | S | 72.7 | Confident | 71.9 | Confident | 71 Ų | 71 | 114.3 Ų | 114.3 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.5 | -42.3 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | L763 K765 E769 A770 C771 | L763-S767 WeakPolarHBondContact O-CB 3.41Å; L763-S767 PolarHBondContact O-N 3.19Å; L763-S767 VanDerWaalsContact O-N 3.08Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-S767 PolarHBondContact O-N 3.5Å; S767-E769 PolarHBondContact O-N 3.13Å; S767-A770 PolarHBondContact O-N 3.47Å; S767-C771 PolarHBondContact O-N 2.89Å; S767-C771 PolarHBondContact O-SG 3.37Å; S767-C771 VanDerWaalsContact O-SG 3.42Å |
| 768 | N | 77.2 | Confident | 72 | Confident | 108 Ų | 108 | 110.2 Ų | 110.2 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.8 | -35.8 | -179.2 | -71.7 | -52.2 | 0 | 0 | 0 | 113.1 | I764 K765 L766 C771 | I764-N768 PolarHBondContact O-ND2 2.89Å; K765-N768 PolarHBondContact O-N 2.82Å; L766-N768 VanDerWaalsContact C-N 3.32Å; L766-N768 PolarHBondContact O-N 2.98Å; N768-C771 PolarHBondContact O-N 2.75Å |
| 769 | E | 76.2 | Confident | 72 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.5 | -32.4 | 177.3 | -67.9 | 178.5 | -169.5 | 0 | 0 | 111.9 | L766 S767 | L766-E769 PolarHBondContact O-N 2.85Å; S767-E769 PolarHBondContact O-N 3.13Å |
| 770 | A | 70.5 | Confident | 71.9 | Confident | 51 Ų | 51 | 110.2 Ų | 110.2 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L766 S767 E772 L773 L774 | L766-A770 PolarHBondContact O-N 2.87Å; S767-A770 PolarHBondContact O-N 3.47Å; A770-E772 PolarHBondContact O-N 3.49Å; A770-L773 PolarHBondContact O-N 2.77Å; A770-L774 PolarHBondContact O-N 3.45Å |
| 771 | C | 67.3 | Low | 71.6 | Confident | 68 Ų | 68 | 112 Ų | 112 | 46% | 0.459 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -37.5 | -179.1 | -72.7 | 0 | 0 | 0 | 0 | 113.6 | S767 N768 L773 L775 | S767-C771 PolarHBondContact O-N 2.89Å; S767-C771 PolarHBondContact O-SG 3.37Å; S767-C771 VanDerWaalsContact O-SG 3.42Å; N768-C771 PolarHBondContact O-N 2.75Å; C771-L773 VanDerWaalsContact C-N 3.35Å; C771-L773 PolarHBondContact O-N 3.38Å; C771-L775 PolarHBondContact O-N 3.43Å |
| 772 | E | 73.7 | Confident | 71.4 | Confident | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -34.7 | 175.9 | -98.6 | -135.8 | -162.6 | 0 | 0 | 113.3 | A770 K776 | A770-E772 PolarHBondContact O-N 3.49Å; E772-K776 PolarHBondContact O-N 2.7Å; E772-K776 IonicContact OE2-NZ 2.7Å; E772-K776 PolarHBondContact OE2-NZ 2.83Å |
| 773 | L | 73.6 | Confident | 71 | Confident | 118 Ų | 118 | 107.8 Ų | 107.8 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.9 | -39.6 | 179.7 | -77.8 | 167 | 0 | 0 | 0 | 111.8 | A770 C771 L775 K776 Q777 | A770-L773 PolarHBondContact O-N 2.77Å; C771-L773 VanDerWaalsContact C-N 3.35Å; C771-L773 PolarHBondContact O-N 3.38Å; L773-L775 VanDerWaalsContact C-N 3.33Å; L773-L775 PolarHBondContact O-N 2.85Å; L773-K776 PolarHBondContact O-N 3.34Å; L773-Q777 PolarHBondContact O-N 3.23Å |
| 774 | L | 68.8 | Low | 71.2 | Confident | 111 Ų | 111 | 109.5 Ų | 109.5 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -38.6 | 175.3 | -68.8 | 170.4 | 0 | 0 | 0 | 111.9 | A770 K776 Q777 S778 | A770-L774 PolarHBondContact O-N 3.45Å; L774-K776 VanDerWaalsContact C-N 3.31Å; L774-K776 PolarHBondContact O-N 2.81Å; L774-Q777 PolarHBondContact O-N 2.73Å; L774-Q777 VanDerWaalsContact O-N 3.09Å; L774-S778 PolarHBondContact O-N 3.21Å |
| 775 | L | 72.9 | Confident | 70.9 | Confident | 122 Ų | 122 | 109.3 Ų | 109.3 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.6 | -36 | 176.3 | -108 | 162.2 | 0 | 0 | 0 | 113.2 | C771 L773 Q777 S778 | C771-L775 PolarHBondContact O-N 3.43Å; L773-L775 VanDerWaalsContact C-N 3.33Å; L773-L775 PolarHBondContact O-N 2.85Å; L775-Q777 VanDerWaalsContact C-N 3.34Å; L775-S778 PolarHBondContact O-OG 3.37Å |
| 776 | K | 73.1 | Confident | 70.4 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.6 | -19.5 | 175.4 | -75.9 | 167.4 | -179 | 131.3 | 0 | 113.6 | E772 L773 L774 | E772-K776 PolarHBondContact O-N 2.7Å; E772-K776 IonicContact OE2-NZ 2.7Å; E772-K776 PolarHBondContact OE2-NZ 2.83Å; L773-K776 PolarHBondContact O-N 3.34Å; L774-K776 VanDerWaalsContact C-N 3.31Å; L774-K776 PolarHBondContact O-N 2.81Å |
| 777 | Q | 68.6 | Low | 70.1 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -84.5 | -31 | 176.6 | -69.8 | -174.8 | -4.2 | 0 | 0 | 112.8 | L773 L774 L775 E779 Q780 L781 | L773-Q777 PolarHBondContact O-N 3.23Å; L774-Q777 PolarHBondContact O-N 2.73Å; L774-Q777 VanDerWaalsContact O-N 3.09Å; L775-Q777 VanDerWaalsContact C-N 3.34Å; Q777-E779 PolarHBondContact O-N 3.06Å; Q777-Q780 PolarHBondContact O-N 2.84Å; Q777-L781 PolarHBondContact O-N 3.24Å |
| 778 | S | 66.2 | Low | 70 | Confident | 62 Ų | 62 | 109.2 Ų | 109.2 | 43% | 0.434 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -37.4 | 179.9 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | L774 L775 Q780 L781 S782 | L774-S778 PolarHBondContact O-N 3.21Å; L775-S778 PolarHBondContact O-OG 3.37Å; S778-Q780 VanDerWaalsContact C-N 3.29Å; S778-Q780 PolarHBondContact O-N 2.76Å; S778-L781 WeakPolarHBondContact O-CB 3.49Å; S778-L781 PolarHBondContact O-N 2.86Å; S778-L781 VanDerWaalsContact O-N 3.15Å; S778-S782 PolarHBondContact O-N 3Å |
| 779 | E | 70.6 | Confident | 69.8 | Low | 139 Ų | 139 | 111.8 Ų | 111.8 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -34 | 174.8 | -66.2 | -168.5 | 137 | 0 | 0 | 112.8 | Q777 N783 | Q777-E779 PolarHBondContact O-N 3.06Å; E779-N783 PolarHBondContact O-ND2 2.94Å |
| 780 | Q | 68.3 | Low | 69.7 | Low | 146 Ų | 146 | 111.4 Ų | 111.4 | 68% | 0.682 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.4 | -28.7 | 175.3 | -67.5 | -160.7 | -0 | 0 | 0 | 113.1 | Q777 S778 | Q777-Q780 PolarHBondContact O-N 2.84Å; S778-Q780 VanDerWaalsContact C-N 3.29Å; S778-Q780 PolarHBondContact O-N 2.76Å |
| 781 | L | 65.3 | Low | 69.8 | Low | 113 Ų | 113 | 114.7 Ų | 114.7 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.9 | -42.7 | 174 | -92 | 160.1 | 0 | 0 | 0 | 111.9 | Q777 S778 N783 K784 L785 | Q777-L781 PolarHBondContact O-N 3.24Å; S778-L781 WeakPolarHBondContact O-CB 3.49Å; S778-L781 PolarHBondContact O-N 2.86Å; S778-L781 VanDerWaalsContact O-N 3.15Å; L781-N783 VanDerWaalsContact C-N 3.3Å; L781-N783 PolarHBondContact O-N 3.07Å; L781-K784 PolarHBondContact O-N 2.76Å; L781-L785 PolarHBondContact O-N 3.46Å |
| 782 | S | 66.8 | Low | 70 | Confident | 79 Ų | 79 | 115.9 Ų | 115.9 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -52 | -47.3 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | S778 K784 L785 | S778-S782 PolarHBondContact O-N 3Å; S782-K784 PolarHBondContact O-N 2.75Å; S782-L785 PolarHBondContact O-N 3.4Å |
| 783 | N | 64.6 | Low | 70 | Confident | 139 Ų | 139 | 115.3 Ų | 115.3 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -11.5 | 179.5 | -72.7 | -64.3 | 0 | 0 | 0 | 114.9 | E779 L781 | E779-N783 PolarHBondContact O-ND2 2.94Å; L781-N783 VanDerWaalsContact C-N 3.3Å; L781-N783 PolarHBondContact O-N 3.07Å |
| 784 | K | 71.6 | Confident | 70 | Confident | 151 Ų | 151 | 113.9 Ų | 113.9 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -99.3 | -9.7 | 174.4 | -68.7 | -179.1 | 178.8 | 175.7 | 0 | 113.8 | L781 S782 | L781-K784 PolarHBondContact O-N 2.76Å; S782-K784 PolarHBondContact O-N 2.75Å |
| 785 | L | 67.3 | Low | 70.2 | Confident | 96 Ų | 96 | 110.9 Ų | 110.9 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -84.5 | -35.1 | -170.6 | -138.7 | 74.6 | 0 | 0 | 0 | 113.6 | L781 S782 I788 W789 | L781-L785 PolarHBondContact O-N 3.46Å; S782-L785 PolarHBondContact O-N 3.4Å; L785-I788 WeakPolarHBondContact O-CB 3.35Å; L785-I788 PolarHBondContact O-N 2.93Å; L785-W789 PolarHBondContact O-N 2.78Å |
| 786 | N | 68.2 | Low | 70.3 | Confident | 126 Ų | 126 | 110.4 Ų | 110.4 | 67% | 0.674 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -51.3 | -44.1 | -177.1 | -88 | 0.8 | 0 | 0 | 0 | 115.1 | I788 W789 | N786-I788 PolarHBondContact O-N 3.38Å; N786-W789 PolarHBondContact O-N 3.34Å |
| 787 | P | 68.9 | Low | 70.5 | Confident | 83 Ų | 83 | 110.8 Ų | 110.8 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.4 | -27.1 | 178 | -22.8 | 34.8 | 0 | 0 | 0 | 114 | ||
| 788 | I | 70.9 | Confident | 70.8 | Confident | 93 Ų | 93 | 113.5 Ų | 113.5 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.5 | -36.4 | 178.5 | -55.8 | 174.4 | 0 | 0 | 0 | 109.8 | L785 N786 N790 I791 L792 | L785-I788 WeakPolarHBondContact O-CB 3.35Å; L785-I788 PolarHBondContact O-N 2.93Å; N786-I788 PolarHBondContact O-N 3.38Å; I788-N790 PolarHBondContact O-N 2.77Å; I788-I791 WeakPolarHBondContact O-CB 3.35Å; I788-I791 PolarHBondContact O-N 3.01Å; I788-I791 VanDerWaalsContact O-N 3.09Å; I788-L792 HydrophobicContact CG2-CD1 3.95Å; I788-L792 PolarHBondContact O-N 3.46Å |
| 789 | W | 73 | Confident | 71.2 | Confident | 161 Ų | 161 | 115 Ų | 115 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.2 | -44.9 | -179.4 | -155 | -101.6 | 0 | 0 | 0 | 112.7 | L785 N786 I791 L792 E793 | L785-W789 PolarHBondContact O-N 2.78Å; N786-W789 PolarHBondContact O-N 3.34Å; W789-I791 PolarHBondContact O-N 3.09Å; W789-L792 HydrophobicContact CZ3-CD2 4.44Å; W789-L792 WeakPolarHBondContact O-CB 3.31Å; W789-L792 PolarHBondContact O-N 3.45Å; W789-L792 VanDerWaalsContact O-N 3.1Å; W789-E793 PolarHBondContact O-N 3.06Å |
| 790 | N | 72.8 | Confident | 71.2 | Confident | 108 Ų | 108 | 111 Ų | 111 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.4 | -28.5 | 175.6 | -67.7 | 10.1 | 0 | 0 | 0 | 112.9 | I788 T794 | I788-N790 PolarHBondContact O-N 2.77Å; N790-T794 PolarHBondContact O-N 3.4Å; N790-T794 PolarHBondContact O-OG1 3.08Å |
| 791 | I | 73.1 | Confident | 71.5 | Confident | 121 Ų | 121 | 109.7 Ų | 109.7 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.1 | -39.4 | 176 | -63.3 | 171.7 | 0 | 0 | 0 | 110.4 | I788 W789 T794 A795 | I788-I791 WeakPolarHBondContact O-CB 3.35Å; I788-I791 PolarHBondContact O-N 3.01Å; I788-I791 VanDerWaalsContact O-N 3.09Å; W789-I791 PolarHBondContact O-N 3.09Å; I791-T794 PolarHBondContact O-N 2.85Å; I791-A795 PolarHBondContact O-N 2.94Å; I791-A795 VanDerWaalsContact O-N 3.07Å |
| 792 | L | 71.8 | Confident | 71.8 | Confident | 93 Ų | 93 | 108.6 Ų | 108.6 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.8 | -48.4 | 171.3 | -99.2 | 83 | 0 | 0 | 0 | 111.5 | I788 W789 T794 A795 D796 | I788-L792 HydrophobicContact CG2-CD1 3.95Å; I788-L792 PolarHBondContact O-N 3.46Å; W789-L792 HydrophobicContact CZ3-CD2 4.44Å; W789-L792 WeakPolarHBondContact O-CB 3.31Å; W789-L792 PolarHBondContact O-N 3.45Å; W789-L792 VanDerWaalsContact O-N 3.1Å; L792-T794 PolarHBondContact O-N 3.21Å; L792-A795 CarbonylContact O-C 3.59Å; L792-A795 WeakPolarHBondContact O-CA 3.48Å; L792-A795 WeakPolarHBondContact O-CB 3.46Å; L792-A795 PolarHBondContact O-N 2.83Å; L792-D796 PolarHBondContact O-N 2.96Å |
| 793 | E | 74.4 | Confident | 72.1 | Confident | 110 Ų | 110 | 109 Ų | 109 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -33.8 | -179.2 | -167.4 | 169.7 | -175.1 | 0 | 0 | 112 | W789 A795 Q797 | W789-E793 PolarHBondContact O-N 3.06Å; E793-A795 VanDerWaalsContact C-N 3.35Å; E793-Q797 WeakPolarHBondContact O-CG 3.37Å; E793-Q797 PolarHBondContact O-N 3.16Å |
| 794 | T | 73.2 | Confident | 72.6 | Confident | 87 Ų | 87 | 106.3 Ų | 106.3 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.1 | -28.7 | 171.8 | -52.8 | 0 | 0 | 0 | 0 | 112.7 | N790 I791 L792 R798 | N790-T794 PolarHBondContact O-N 3.4Å; N790-T794 PolarHBondContact O-OG1 3.08Å; I791-T794 PolarHBondContact O-N 2.85Å; L792-T794 PolarHBondContact O-N 3.21Å; T794-R798 WeakPolarHBondContact O-CG 3.48Å |
| 795 | A | 72.9 | Confident | 72.8 | Confident | 49 Ų | 49 | 103.9 Ų | 103.9 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.4 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I791 L792 E793 Q797 R798 L799 | I791-A795 PolarHBondContact O-N 2.94Å; I791-A795 VanDerWaalsContact O-N 3.07Å; L792-A795 CarbonylContact O-C 3.59Å; L792-A795 WeakPolarHBondContact O-CA 3.48Å; L792-A795 WeakPolarHBondContact O-CB 3.46Å; L792-A795 PolarHBondContact O-N 2.83Å; E793-A795 VanDerWaalsContact C-N 3.35Å; A795-Q797 PolarHBondContact O-N 2.85Å; A795-R798 WeakPolarHBondContact O-CA 3.44Å; A795-R798 WeakPolarHBondContact O-CB 3.07Å; A795-R798 PolarHBondContact O-N 2.96Å; A795-L799 PolarHBondContact O-N 3.42Å |
| 796 | D | 75.5 | Confident | 73.1 | Confident | 111 Ų | 111 | 103.2 Ų | 103.2 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | -179.2 | -158.2 | 49.6 | 0 | 0 | 0 | 111.8 | L792 R798 L799 A800 | L792-D796 PolarHBondContact O-N 2.96Å; D796-R798 PolarHBondContact O-N 3.01Å; D796-R798 VanDerWaalsContact O-N 3.17Å; D796-L799 WeakPolarHBondContact O-CB 3.36Å; D796-L799 PolarHBondContact O-N 2.91Å; D796-L799 VanDerWaalsContact O-N 3.08Å; D796-A800 PolarHBondContact O-N 2.66Å |
| 797 | Q | 75.6 | Confident | 73.2 | Confident | 135 Ų | 135 | 101.5 Ų | 101.5 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.8 | -27.5 | 170.9 | -70.1 | 176.7 | 15.5 | 0 | 0 | 113.4 | E793 A795 L801 | E793-Q797 WeakPolarHBondContact O-CG 3.37Å; E793-Q797 PolarHBondContact O-N 3.16Å; A795-Q797 PolarHBondContact O-N 2.85Å; Q797-L801 PolarHBondContact O-N 2.75Å |
| 798 | R | 76.3 | Confident | 73.5 | Confident | 182 Ų | 182 | 100.6 Ų | 100.6 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -83.5 | -31.9 | 175.8 | -62.3 | -179.7 | 77 | -165.8 | 3.1 | 112.1 | T794 A795 D796 L801 I802 | T794-R798 WeakPolarHBondContact O-CG 3.48Å; A795-R798 WeakPolarHBondContact O-CA 3.44Å; A795-R798 WeakPolarHBondContact O-CB 3.07Å; A795-R798 PolarHBondContact O-N 2.96Å; D796-R798 PolarHBondContact O-N 3.01Å; D796-R798 VanDerWaalsContact O-N 3.17Å; R798-L801 PolarHBondContact O-N 2.95Å; R798-I802 WeakPolarHBondContact O-CG1 3.38Å; R798-I802 PolarHBondContact O-N 2.82Å; R798-I802 VanDerWaalsContact O-N 3.1Å |
| 799 | L | 73.3 | Confident | 73.5 | Confident | 92 Ų | 92 | 100.5 Ų | 100.5 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 170.3 | -77 | 166.4 | 0 | 0 | 0 | 111.3 | A795 D796 L801 I802 N803 | A795-L799 PolarHBondContact O-N 3.42Å; D796-L799 WeakPolarHBondContact O-CB 3.36Å; D796-L799 PolarHBondContact O-N 2.91Å; D796-L799 VanDerWaalsContact O-N 3.08Å; L799-L801 VanDerWaalsContact C-N 3.29Å; L799-L801 PolarHBondContact O-N 3.39Å; L799-I802 PolarHBondContact O-N 3.2Å; L799-N803 PolarHBondContact O-N 3.02Å; L799-N803 PolarHBondContact O-OD1 2.81Å |
| 800 | A | 72 | Confident | 73.4 | Confident | 57 Ų | 57 | 97.1 Ų | 97.1 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.3 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | D796 T804 | D796-A800 PolarHBondContact O-N 2.66Å; A800-T804 PolarHBondContact O-N 3Å; A800-T804 PolarHBondContact O-OG1 3.02Å |
| 801 | L | 73.3 | Confident | 73.5 | Confident | 117 Ų | 117 | 96.1 Ų | 96.1 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.2 | -27.3 | 175.6 | -169.1 | 66.4 | 0 | 0 | 0 | 112.9 | Q797 R798 L799 T804 N805 | Q797-L801 PolarHBondContact O-N 2.75Å; R798-L801 PolarHBondContact O-N 2.95Å; L799-L801 VanDerWaalsContact C-N 3.29Å; L799-L801 PolarHBondContact O-N 3.39Å; L801-T804 PolarHBondContact O-OG1 2.84Å; L801-N805 PolarHBondContact O-ND2 2.71Å |
| 802 | I | 72.4 | Confident | 73.6 | Confident | 90 Ų | 90 | 95.3 Ų | 95.3 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.9 | -44.4 | 173.6 | -71.9 | 165.2 | 0 | 0 | 0 | 110.3 | R798 L799 T804 N805 I806 | R798-I802 WeakPolarHBondContact O-CG1 3.38Å; R798-I802 PolarHBondContact O-N 2.82Å; R798-I802 VanDerWaalsContact O-N 3.1Å; L799-I802 PolarHBondContact O-N 3.2Å; I802-T804 PolarHBondContact O-N 3.02Å; I802-N805 PolarHBondContact O-N 3.28Å; I802-I806 HydrophobicContact CG2-CD1 3.69Å; I802-I806 HydrophobicContact CG2-CG1 4.33Å; I802-I806 WeakPolarHBondContact O-CG1 3.31Å; I802-I806 PolarHBondContact O-N 2.77Å |
| 803 | N | 72.1 | Confident | 73.4 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -48.3 | -180 | -72.1 | 1.2 | 0 | 0 | 0 | 112.1 | L799 N805 I806 D807 | L799-N803 PolarHBondContact O-N 3.02Å; L799-N803 PolarHBondContact O-OD1 2.81Å; N803-N805 PolarHBondContact O-N 3.23Å; N803-I806 CarbonylContact O-C 3.59Å; N803-I806 WeakPolarHBondContact O-CA 3.37Å; N803-I806 WeakPolarHBondContact O-CB 3.47Å; N803-I806 PolarHBondContact O-N 3.38Å; N803-D807 VanDerWaalsContact O-CG 3.28Å; N803-D807 PolarHBondContact O-N 3.16Å |
| 804 | T | 76.3 | Confident | 73.1 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -29.3 | 178.7 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | A800 L801 I802 S808 | A800-T804 PolarHBondContact O-N 3Å; A800-T804 PolarHBondContact O-OG1 3.02Å; L801-T804 PolarHBondContact O-OG1 2.84Å; I802-T804 PolarHBondContact O-N 3.02Å; T804-S808 PolarHBondContact O-N 3.45Å |
| 805 | N | 75.1 | Confident | 73.1 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.3 | -41.6 | 170.5 | -77.6 | -73.7 | 0 | 0 | 0 | 111.6 | L801 I802 N803 S808 V809 | L801-N805 PolarHBondContact O-ND2 2.71Å; I802-N805 PolarHBondContact O-N 3.28Å; N803-N805 PolarHBondContact O-N 3.23Å; N805-S808 PolarHBondContact O-N 2.75Å; N805-S808 PolarHBondContact O-OG 2.72Å; N805-V809 PolarHBondContact O-N 2.9Å |
| 806 | I | 73.3 | Confident | 73.1 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.8 | -69.3 | 170.7 | 0 | 0 | 0 | 110.8 | I802 N803 S808 V809 L810 | I802-I806 HydrophobicContact CG2-CD1 3.69Å; I802-I806 HydrophobicContact CG2-CG1 4.33Å; I802-I806 WeakPolarHBondContact O-CG1 3.31Å; I802-I806 PolarHBondContact O-N 2.77Å; N803-I806 CarbonylContact O-C 3.59Å; N803-I806 WeakPolarHBondContact O-CA 3.37Å; N803-I806 WeakPolarHBondContact O-CB 3.47Å; N803-I806 PolarHBondContact O-N 3.38Å; I806-S808 VanDerWaalsContact C-N 3.27Å; I806-S808 PolarHBondContact O-N 3.33Å; I806-V809 CarbonylContact O-C 3.59Å; I806-V809 PolarHBondContact O-N 2.89Å; I806-L810 HydrophobicContact CG2-CD1 3.78Å; I806-L810 HydrophobicContact CG2-CG 4.05Å; I806-L810 WeakPolarHBondContact O-CG 3.47Å; I806-L810 PolarHBondContact O-N 2.84Å |
| 807 | D | 70.9 | Confident | 72.9 | Confident | 89 Ų | 89 | 100.8 Ų | 100.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.3 | -41.5 | 177.5 | -65 | -34.3 | 0 | 0 | 0 | 111.6 | N803 V809 L810 V811 | N803-D807 VanDerWaalsContact O-CG 3.28Å; N803-D807 PolarHBondContact O-N 3.16Å; D807-V809 VanDerWaalsContact C-N 3.34Å; D807-V809 PolarHBondContact O-N 2.73Å; D807-L810 PolarHBondContact O-N 3.27Å; D807-V811 WeakPolarHBondContact O-CG2 3.37Å; D807-V811 PolarHBondContact O-N 3.49Å |
| 808 | S | 74.5 | Confident | 72.6 | Confident | 65 Ų | 65 | 100.8 Ų | 100.8 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.6 | 80.5 | 0 | 0 | 0 | 0 | 112.9 | T804 N805 I806 V812 | T804-S808 PolarHBondContact O-N 3.45Å; N805-S808 PolarHBondContact O-N 2.75Å; N805-S808 PolarHBondContact O-OG 2.72Å; I806-S808 VanDerWaalsContact C-N 3.27Å; I806-S808 PolarHBondContact O-N 3.33Å; S808-V812 WeakPolarHBondContact O-CG2 3.34Å; S808-V812 PolarHBondContact O-N 3.04Å |
| 809 | V | 72 | Confident | 72.3 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.3 | -40 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | N805 I806 D807 V812 T813 | N805-V809 PolarHBondContact O-N 2.9Å; I806-V809 CarbonylContact O-C 3.59Å; I806-V809 PolarHBondContact O-N 2.89Å; D807-V809 VanDerWaalsContact C-N 3.34Å; D807-V809 PolarHBondContact O-N 2.73Å; V809-V812 PolarHBondContact O-N 2.82Å; V809-T813 VanDerWaalsContact O-CB 3.29Å; V809-T813 WeakPolarHBondContact O-CB 3.32Å; V809-T813 PolarHBondContact O-N 3.42Å; V809-T813 PolarHBondContact O-OG1 3.06Å |
| 810 | L | 69.9 | Low | 72.3 | Confident | 90 Ų | 90 | 97.6 Ų | 97.6 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.3 | -71.4 | 175.5 | 0 | 0 | 0 | 111.2 | I806 D807 V812 T813 C814 | I806-L810 HydrophobicContact CG2-CD1 3.78Å; I806-L810 HydrophobicContact CG2-CG 4.05Å; I806-L810 WeakPolarHBondContact O-CG 3.47Å; I806-L810 PolarHBondContact O-N 2.84Å; D807-L810 PolarHBondContact O-N 3.27Å; L810-V812 PolarHBondContact O-N 3.06Å; L810-T813 CarbonylContact O-C 3.56Å; L810-T813 PolarHBondContact O-N 3.32Å; L810-T813 VanDerWaalsContact O-N 3.14Å; L810-C814 WeakPolarHBondContact O-CB 3.35Å; L810-C814 PolarHBondContact O-N 3.09Å; L810-C814 PolarHBondContact O-SG 3.12Å |
| 811 | V | 75 | Confident | 72.1 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | D807 T813 K815 | D807-V811 WeakPolarHBondContact O-CG2 3.37Å; D807-V811 PolarHBondContact O-N 3.49Å; V811-T813 VanDerWaalsContact C-N 3.35Å; V811-K815 PolarHBondContact O-N 2.99Å; V811-K815 VanDerWaalsContact O-N 3.09Å |
| 812 | V | 74.8 | Confident | 72 | Confident | 105 Ų | 105 | 95 Ų | 95 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | S808 V809 L810 K815 R816 | S808-V812 WeakPolarHBondContact O-CG2 3.34Å; S808-V812 PolarHBondContact O-N 3.04Å; V809-V812 PolarHBondContact O-N 2.82Å; L810-V812 PolarHBondContact O-N 3.06Å; V812-K815 PolarHBondContact O-N 3.18Å; V812-R816 PolarHBondContact O-N 2.63Å; V812-R816 VanDerWaalsContact O-N 3.12Å |
| 813 | T | 69 | Low | 72 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 34% | 0.344 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | V809 L810 V811 R816 F817 | V809-T813 VanDerWaalsContact O-CB 3.29Å; V809-T813 WeakPolarHBondContact O-CB 3.32Å; V809-T813 PolarHBondContact O-N 3.42Å; V809-T813 PolarHBondContact O-OG1 3.06Å; L810-T813 CarbonylContact O-C 3.56Å; L810-T813 PolarHBondContact O-N 3.32Å; L810-T813 VanDerWaalsContact O-N 3.14Å; V811-T813 VanDerWaalsContact C-N 3.35Å; T813-R816 PolarHBondContact O-N 3.11Å; T813-F817 HydrophobicContact CG2-CD2 3.76Å; T813-F817 HydrophobicContact CG2-CE2 3.51Å; T813-F817 HydrophobicContact CG2-CZ 4.45Å; T813-F817 WeakPolarHBondContact O-CD2 3.34Å; T813-F817 PolarHBondContact O-N 3.01Å |
| 814 | C | 67.6 | Low | 71.7 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.7 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | L810 R816 F817 Q818 | L810-C814 WeakPolarHBondContact O-CB 3.35Å; L810-C814 PolarHBondContact O-N 3.09Å; L810-C814 PolarHBondContact O-SG 3.12Å; C814-R816 VanDerWaalsContact C-N 3.27Å; C814-R816 PolarHBondContact O-N 2.66Å; C814-F817 PolarHBondContact O-N 2.81Å; C814-Q818 WeakPolarHBondContact O-CB 3.22Å; C814-Q818 PolarHBondContact O-N 2.85Å |
| 815 | K | 73.8 | Confident | 71.1 | Confident | 142 Ų | 142 | 90 Ų | 90 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.9 | -38.7 | 173.2 | -77.1 | -172.5 | 175.4 | -172.4 | 0 | 112.2 | V811 V812 Q818 T819 | V811-K815 PolarHBondContact O-N 2.99Å; V811-K815 VanDerWaalsContact O-N 3.09Å; V812-K815 PolarHBondContact O-N 3.18Å; K815-Q818 PolarHBondContact O-N 3.41Å; K815-T819 PolarHBondContact O-N 2.76Å; K815-T819 PolarHBondContact O-OG1 3.19Å |
| 816 | R | 73.3 | Confident | 70.8 | Confident | 157 Ų | 157 | 91 Ų | 91 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.7 | -41.9 | 177.2 | -170.7 | 172.7 | 172 | 178.7 | -5.1 | 112.1 | V812 T813 C814 T819 Y820 | V812-R816 PolarHBondContact O-N 2.63Å; V812-R816 VanDerWaalsContact O-N 3.12Å; T813-R816 PolarHBondContact O-N 3.11Å; C814-R816 VanDerWaalsContact C-N 3.27Å; C814-R816 PolarHBondContact O-N 2.66Å; R816-T819 WeakPolarHBondContact O-CB 3.07Å; R816-T819 PolarHBondContact O-N 2.97Å; R816-Y820 HydrophobicContact CG-CD2 4.32Å; R816-Y820 HydrophobicContact CG-CE2 3.7Å; R816-Y820 PolarHBondContact NE-OH 3.39Å; R816-Y820 PolarHBondContact NH2-OH 3.37Å; R816-Y820 VanDerWaalsContact O-CD2 3.31Å; R816-Y820 WeakPolarHBondContact O-CD2 3.12Å; R816-Y820 PolarHBondContact O-N 2.77Å |
| 817 | F | 71.3 | Confident | 70.4 | Confident | 136 Ų | 136 | 92.3 Ų | 92.3 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 170.8 | -80.1 | -53.6 | 0 | 0 | 0 | 112.6 | T813 C814 T819 Y820 A821 | T813-F817 HydrophobicContact CG2-CD2 3.76Å; T813-F817 HydrophobicContact CG2-CE2 3.51Å; T813-F817 HydrophobicContact CG2-CZ 4.45Å; T813-F817 WeakPolarHBondContact O-CD2 3.34Å; T813-F817 PolarHBondContact O-N 3.01Å; C814-F817 PolarHBondContact O-N 2.81Å; F817-T819 VanDerWaalsContact C-N 3.33Å; F817-T819 PolarHBondContact O-N 3.22Å; F817-Y820 HydrophobicContact CD1-CD2 4.32Å; F817-Y820 CarbonylContact O-C 3.57Å; F817-Y820 PolarHBondContact O-N 2.87Å; F817-A821 WeakPolarHBondContact O-CB 3.45Å; F817-A821 PolarHBondContact O-N 3.36Å |
| 818 | Q | 69.4 | Low | 70.1 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 176.1 | -167.8 | 170.4 | 16.2 | 0 | 0 | 111.5 | C814 K815 A821 T822 | C814-Q818 WeakPolarHBondContact O-CB 3.22Å; C814-Q818 PolarHBondContact O-N 2.85Å; K815-Q818 PolarHBondContact O-N 3.41Å; Q818-A821 PolarHBondContact O-N 3.33Å; Q818-T822 PolarHBondContact O-N 3.43Å; Q818-T822 VanDerWaalsContact O-N 3.08Å; Q818-T822 PolarHBondContact O-OG1 3.1Å |
| 819 | T | 70 | Confident | 69.8 | Low | 90 Ų | 90 | 92 Ų | 92 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 171.2 | -47.9 | 0 | 0 | 0 | 0 | 111 | K815 R816 F817 T822 S823 | K815-T819 PolarHBondContact O-N 2.76Å; K815-T819 PolarHBondContact O-OG1 3.19Å; R816-T819 WeakPolarHBondContact O-CB 3.07Å; R816-T819 PolarHBondContact O-N 2.97Å; F817-T819 VanDerWaalsContact C-N 3.33Å; F817-T819 PolarHBondContact O-N 3.22Å; T819-T822 PolarHBondContact O-N 2.99Å; T819-S823 PolarHBondContact O-N 3.14Å; T819-S823 PolarHBondContact O-OG 3.23Å |
| 820 | Y | 72.7 | Confident | 69.8 | Low | 117 Ų | 117 | 92.5 Ų | 92.5 | 46% | 0.459 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 174.8 | -64 | -39 | 0 | 0 | 0 | 112.8 | R816 F817 S823 V824 | R816-Y820 HydrophobicContact CG-CD2 4.32Å; R816-Y820 HydrophobicContact CG-CE2 3.7Å; R816-Y820 PolarHBondContact NE-OH 3.39Å; R816-Y820 PolarHBondContact NH2-OH 3.37Å; R816-Y820 VanDerWaalsContact O-CD2 3.31Å; R816-Y820 WeakPolarHBondContact O-CD2 3.12Å; R816-Y820 PolarHBondContact O-N 2.77Å; F817-Y820 HydrophobicContact CD1-CD2 4.32Å; F817-Y820 CarbonylContact O-C 3.57Å; F817-Y820 PolarHBondContact O-N 2.87Å; Y820-S823 PolarHBondContact O-N 3.05Å; Y820-V824 WeakPolarHBondContact O-CB 3.31Å; Y820-V824 VanDerWaalsContact O-CG2 3.31Å; Y820-V824 WeakPolarHBondContact O-CG2 3.25Å; Y820-V824 PolarHBondContact O-N 3.3Å |
| 821 | A | 66.6 | Low | 69.5 | Low | 49 Ų | 49 | 92.3 Ų | 92.3 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F817 Q818 S823 V824 E825 | F817-A821 WeakPolarHBondContact O-CB 3.45Å; F817-A821 PolarHBondContact O-N 3.36Å; Q818-A821 PolarHBondContact O-N 3.33Å; A821-S823 VanDerWaalsContact C-N 3.34Å; A821-S823 PolarHBondContact O-N 3.1Å; A821-V824 CarbonylContact O-C 3.59Å; A821-V824 WeakPolarHBondContact O-CA 3.4Å; A821-V824 PolarHBondContact O-N 2.83Å; A821-V824 VanDerWaalsContact O-N 3.09Å; A821-E825 WeakPolarHBondContact O-CG 3.32Å; A821-E825 PolarHBondContact O-N 2.76Å |
| 822 | T | 71.7 | Confident | 69.1 | Low | 70 Ų | 70 | 92.4 Ų | 92.4 | 43% | 0.429 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | Q818 T819 V824 E825 Q826 | Q818-T822 PolarHBondContact O-N 3.43Å; Q818-T822 VanDerWaalsContact O-N 3.08Å; Q818-T822 PolarHBondContact O-OG1 3.1Å; T819-T822 PolarHBondContact O-N 2.99Å; T822-V824 VanDerWaalsContact C-N 3.34Å; T822-E825 WeakPolarHBondContact CA-OE2 3.38Å; T822-E825 PolarHBondContact O-N 3.08Å; T822-Q826 PolarHBondContact O-N 3.48Å |
| 823 | S | 72.7 | Confident | 68.8 | Low | 53 Ų | 53 | 92.4 Ų | 92.4 | 37% | 0.371 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 170.8 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | T819 Y820 A821 Q826 L827 | T819-S823 PolarHBondContact O-N 3.14Å; T819-S823 PolarHBondContact O-OG 3.23Å; Y820-S823 PolarHBondContact O-N 3.05Å; A821-S823 VanDerWaalsContact C-N 3.34Å; A821-S823 PolarHBondContact O-N 3.1Å; S823-Q826 PolarHBondContact O-N 2.73Å; S823-L827 WeakPolarHBondContact O-CG 2.9Å; S823-L827 PolarHBondContact O-N 3.16Å |
| 824 | V | 64.9 | Low | 68.7 | Low | 72 Ų | 72 | 92.9 Ų | 92.9 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.4 | -37.5 | 174.8 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | Y820 A821 T822 Q826 L827 Q828 | Y820-V824 WeakPolarHBondContact O-CB 3.31Å; Y820-V824 VanDerWaalsContact O-CG2 3.31Å; Y820-V824 WeakPolarHBondContact O-CG2 3.25Å; Y820-V824 PolarHBondContact O-N 3.3Å; A821-V824 CarbonylContact O-C 3.59Å; A821-V824 WeakPolarHBondContact O-CA 3.4Å; A821-V824 PolarHBondContact O-N 2.83Å; A821-V824 VanDerWaalsContact O-N 3.09Å; T822-V824 VanDerWaalsContact C-N 3.34Å; V824-Q826 PolarHBondContact O-N 3.28Å; V824-L827 PolarHBondContact O-N 3.46Å; V824-Q828 HydrophobicContact CG1-CG 4.25Å; V824-Q828 WeakPolarHBondContact O-CB 3.34Å; V824-Q828 VanDerWaalsContact O-CG 3.29Å; V824-Q828 WeakPolarHBondContact O-CG 2.95Å; V824-Q828 PolarHBondContact O-N 2.81Å |
| 825 | E | 65.1 | Low | 68.6 | Low | 33 Ų | 33 | 95.6 Ų | 95.6 | 15% | 0.154 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 171.3 | -74.2 | 173.9 | 132.5 | 0 | 0 | 111.3 | A821 T822 Q828 N829 Q1550 L1553 | A821-E825 WeakPolarHBondContact O-CG 3.32Å; A821-E825 PolarHBondContact O-N 2.76Å; T822-E825 WeakPolarHBondContact CA-OE2 3.38Å; T822-E825 PolarHBondContact O-N 3.08Å; E825-Q828 PolarHBondContact O-N 2.7Å; E825-N829 PolarHBondContact O-N 3.47Å; E825-N829 PolarHBondContact O-ND2 2.8Å; E825-Q1550 WeakPolarHBondContact OE1-CG 3.41Å; E825-Q1550 PolarHBondContact OE1-NE2 3.45Å; E825-L1553 HydrophobicContact CG-CD1 3.93Å |
| 826 | Q | 69.3 | Low | 68.3 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.4 | -48.3 | 173.8 | -72 | -172.1 | -87.3 | 0 | 0 | 111.9 | T822 S823 V824 Q828 N829 E830 | T822-Q826 PolarHBondContact O-N 3.48Å; S823-Q826 PolarHBondContact O-N 2.73Å; V824-Q826 PolarHBondContact O-N 3.28Å; Q826-Q828 VanDerWaalsContact C-N 3.31Å; Q826-Q828 PolarHBondContact O-N 2.87Å; Q826-N829 PolarHBondContact O-N 3.37Å; Q826-E830 PolarHBondContact O-N 2.76Å |
| 827 | L | 63.1 | Low | 67.9 | Low | 110 Ų | 110 | 88.3 Ų | 88.3 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.6 | -31.5 | 177.7 | -71.5 | 170 | 0 | 0 | 0 | 112.7 | S823 V824 L831 | S823-L827 WeakPolarHBondContact O-CG 2.9Å; S823-L827 PolarHBondContact O-N 3.16Å; V824-L827 PolarHBondContact O-N 3.46Å; L827-L831 WeakPolarHBondContact O-CB 2.9Å; L827-L831 PolarHBondContact O-N 3.3Å |
| 828 | Q | 65.7 | Low | 67.5 | Low | 85 Ų | 85 | 87.5 Ų | 87.5 | 40% | 0.397 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.2 | -36.8 | 173.1 | -77.9 | -177.8 | -85.7 | 0 | 0 | 111.8 | V824 E825 Q826 L831 T832 | V824-Q828 HydrophobicContact CG1-CG 4.25Å; V824-Q828 WeakPolarHBondContact O-CB 3.34Å; V824-Q828 VanDerWaalsContact O-CG 3.29Å; V824-Q828 WeakPolarHBondContact O-CG 2.95Å; V824-Q828 PolarHBondContact O-N 2.81Å; E825-Q828 PolarHBondContact O-N 2.7Å; Q826-Q828 VanDerWaalsContact C-N 3.31Å; Q826-Q828 PolarHBondContact O-N 2.87Å; Q828-L831 PolarHBondContact O-N 3.48Å; Q828-T832 VanDerWaalsContact O-CB 3.31Å; Q828-T832 WeakPolarHBondContact O-CB 3.46Å; Q828-T832 PolarHBondContact O-N 2.83Å; Q828-T832 PolarHBondContact O-OG1 2.81Å |
| 829 | N | 68.3 | Low | 67.4 | Low | 62 Ų | 62 | 85 Ų | 85 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 172.8 | -74.7 | -28.9 | 0 | 0 | 0 | 111.1 | E825 Q826 L831 T832 I833 | E825-N829 PolarHBondContact O-N 3.47Å; E825-N829 PolarHBondContact O-ND2 2.8Å; Q826-N829 PolarHBondContact O-N 3.37Å; N829-L831 PolarHBondContact O-N 3.39Å; N829-T832 PolarHBondContact O-N 3.19Å; N829-T832 VanDerWaalsContact O-N 3.13Å; N829-I833 WeakPolarHBondContact O-CG1 3.33Å; N829-I833 PolarHBondContact O-N 2.89Å |
| 830 | E | 71.7 | Confident | 67.4 | Low | 101 Ų | 101 | 84.1 Ų | 84.1 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 173.3 | -71.9 | -178.9 | -163.8 | 0 | 0 | 112.4 | Q826 T832 I833 L834 | Q826-E830 PolarHBondContact O-N 2.76Å; E830-T832 VanDerWaalsContact C-N 3.27Å; E830-T832 PolarHBondContact O-N 2.78Å; E830-I833 PolarHBondContact O-N 3.12Å; E830-L834 WeakPolarHBondContact O-CB 3.23Å; E830-L834 PolarHBondContact O-N 2.69Å |
| 831 | L | 64 | Low | 67 | Low | 85 Ų | 85 | 87.3 Ų | 87.3 | 45% | 0.445 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -29.2 | 174.5 | -169.6 | 75 | 0 | 0 | 0 | 112.1 | L827 Q828 N829 K835 | L827-L831 WeakPolarHBondContact O-CB 2.9Å; L827-L831 PolarHBondContact O-N 3.3Å; Q828-L831 PolarHBondContact O-N 3.48Å; N829-L831 PolarHBondContact O-N 3.39Å; L831-K835 VanDerWaalsContact O-CB 3.3Å; L831-K835 WeakPolarHBondContact O-CB 3.45Å; L831-K835 WeakPolarHBondContact O-CG 3.47Å; L831-K835 PolarHBondContact O-N 3.35Å |
| 832 | T | 65.4 | Low | 67.1 | Low | 89 Ų | 89 | 89 Ų | 89 | 55% | 0.546 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.6 | -39.1 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | Q828 N829 E830 K835 S836 | Q828-T832 VanDerWaalsContact O-CB 3.31Å; Q828-T832 WeakPolarHBondContact O-CB 3.46Å; Q828-T832 PolarHBondContact O-N 2.83Å; Q828-T832 PolarHBondContact O-OG1 2.81Å; N829-T832 PolarHBondContact O-N 3.19Å; N829-T832 VanDerWaalsContact O-N 3.13Å; E830-T832 VanDerWaalsContact C-N 3.27Å; E830-T832 PolarHBondContact O-N 2.78Å; T832-K835 PolarHBondContact O-N 3.34Å; T832-S836 PolarHBondContact O-N 2.8Å |
| 833 | I | 69.9 | Low | 67 | Low | 106 Ų | 106 | 89.1 Ų | 89.1 | 54% | 0.544 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 168.8 | -65.4 | 164.8 | 0 | 0 | 0 | 109.5 | N829 E830 K835 S836 D837 | N829-I833 WeakPolarHBondContact O-CG1 3.33Å; N829-I833 PolarHBondContact O-N 2.89Å; E830-I833 PolarHBondContact O-N 3.12Å; I833-K835 VanDerWaalsContact C-N 3.26Å; I833-K835 PolarHBondContact O-N 2.84Å; I833-S836 CarbonylContact O-C 3.54Å; I833-S836 WeakPolarHBondContact O-CA 3.36Å; I833-S836 WeakPolarHBondContact O-CB 3.3Å; I833-S836 PolarHBondContact O-N 2.82Å; I833-D837 PolarHBondContact O-N 3.18Å |
| 834 | L | 66.8 | Low | 66.9 | Low | 65 Ų | 65 | 90.4 Ų | 90.4 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -26.3 | 177.4 | -85.4 | 153.2 | 0 | 0 | 0 | 114 | E830 L838 | E830-L834 WeakPolarHBondContact O-CB 3.23Å; E830-L834 PolarHBondContact O-N 2.69Å; L834-L838 WeakPolarHBondContact O-CB 3.19Å; L834-L838 PolarHBondContact O-N 3Å |
| 835 | K | 65.5 | Low | 67.1 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.7 | -36.3 | 167.6 | -87.2 | -176.4 | 172.8 | -174.2 | 0 | 112.1 | L831 T832 I833 D837 L838 V839 | L831-K835 VanDerWaalsContact O-CB 3.3Å; L831-K835 WeakPolarHBondContact O-CB 3.45Å; L831-K835 WeakPolarHBondContact O-CG 3.47Å; L831-K835 PolarHBondContact O-N 3.35Å; T832-K835 PolarHBondContact O-N 3.34Å; I833-K835 VanDerWaalsContact C-N 3.26Å; I833-K835 PolarHBondContact O-N 2.84Å; K835-D837 VanDerWaalsContact C-N 3.35Å; K835-L838 PolarHBondContact O-N 3.07Å; K835-V839 VanDerWaalsContact O-CB 3.23Å; K835-V839 WeakPolarHBondContact O-CB 3.36Å; K835-V839 WeakPolarHBondContact O-CG2 3.22Å; K835-V839 PolarHBondContact O-N 2.84Å |
| 836 | S | 66.3 | Low | 67.3 | Low | 68 Ų | 68 | 92 Ų | 92 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 170.8 | -169.8 | 0 | 0 | 0 | 0 | 111 | T832 I833 V839 T840 | T832-S836 PolarHBondContact O-N 2.8Å; I833-S836 CarbonylContact O-C 3.54Å; I833-S836 WeakPolarHBondContact O-CA 3.36Å; I833-S836 WeakPolarHBondContact O-CB 3.3Å; I833-S836 PolarHBondContact O-N 2.82Å; S836-V839 PolarHBondContact O-N 2.93Å; S836-T840 WeakPolarHBondContact O-CB 3.48Å; S836-T840 WeakPolarHBondContact O-CG2 3.35Å; S836-T840 PolarHBondContact O-N 3.29Å; S836-T840 PolarHBondContact O-OG1 3.01Å |
| 837 | D | 65.1 | Low | 67.4 | Low | 77 Ų | 77 | 90.7 Ų | 90.7 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.3 | -33.9 | 177.8 | -59.9 | -16.4 | 0 | 0 | 0 | 112.2 | I833 K835 T840 R841 | I833-D837 PolarHBondContact O-N 3.18Å; K835-D837 VanDerWaalsContact C-N 3.35Å; D837-T840 WeakPolarHBondContact CA-OG1 3.23Å; D837-T840 PolarHBondContact O-OG1 2.9Å; D837-R841 VanDerWaalsContact O-CB 3.3Å; D837-R841 WeakPolarHBondContact O-CB 3.48Å; D837-R841 PolarHBondContact O-N 3.27Å |
| 838 | L | 62.8 | Low | 67.8 | Low | 119 Ų | 119 | 90 Ų | 90 | 62% | 0.623 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -78.2 | -35 | 175.8 | -159.7 | 80.2 | 0 | 0 | 0 | 112.1 | L834 K835 N842 | L834-L838 WeakPolarHBondContact O-CB 3.19Å; L834-L838 PolarHBondContact O-N 3Å; K835-L838 PolarHBondContact O-N 3.07Å; L838-N842 WeakPolarHBondContact O-CB 3.38Å; L838-N842 PolarHBondContact O-N 3.34Å |
| 839 | V | 67.3 | Low | 68.1 | Low | 81 Ų | 81 | 90.1 Ų | 90.1 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -52 | 172.5 | 165.1 | 0 | 0 | 0 | 0 | 109.3 | K835 S836 R841 N842 D843 | K835-V839 VanDerWaalsContact O-CB 3.23Å; K835-V839 WeakPolarHBondContact O-CB 3.36Å; K835-V839 WeakPolarHBondContact O-CG2 3.22Å; K835-V839 PolarHBondContact O-N 2.84Å; S836-V839 PolarHBondContact O-N 2.93Å; V839-R841 VanDerWaalsContact C-N 3.29Å; V839-R841 PolarHBondContact O-N 2.92Å; V839-N842 CarbonylContact O-C 3.52Å; V839-N842 WeakPolarHBondContact O-CA 3.46Å; V839-N842 WeakPolarHBondContact O-CB 3.28Å; V839-N842 PolarHBondContact O-N 3.12Å; V839-D843 VanDerWaalsContact CG1-OD2 3.32Å; V839-D843 WeakPolarHBondContact CG1-OD2 3.5Å; V839-D843 PolarHBondContact O-N 2.99Å |
| 840 | T | 69.7 | Low | 68.5 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 175.5 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | S836 D837 V844 | S836-T840 WeakPolarHBondContact O-CB 3.48Å; S836-T840 WeakPolarHBondContact O-CG2 3.35Å; S836-T840 PolarHBondContact O-N 3.29Å; S836-T840 PolarHBondContact O-OG1 3.01Å; D837-T840 WeakPolarHBondContact CA-OG1 3.23Å; D837-T840 PolarHBondContact O-OG1 2.9Å; T840-V844 WeakPolarHBondContact O-CB 3.21Å; T840-V844 VanDerWaalsContact O-CG2 3.31Å; T840-V844 WeakPolarHBondContact O-CG2 3.38Å; T840-V844 PolarHBondContact O-N 2.77Å |
| 841 | R | 65.5 | Low | 68.5 | Low | 183 Ų | 183 | 93.2 Ų | 93.2 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 167.2 | -97.2 | -170.1 | 165.3 | 115.2 | -0.9 | 113.5 | D837 V839 D843 V845 | D837-R841 VanDerWaalsContact O-CB 3.3Å; D837-R841 WeakPolarHBondContact O-CB 3.48Å; D837-R841 PolarHBondContact O-N 3.27Å; V839-R841 VanDerWaalsContact C-N 3.29Å; V839-R841 PolarHBondContact O-N 2.92Å; R841-D843 VanDerWaalsContact C-N 3.34Å; R841-V845 VanDerWaalsContact O-CB 3.3Å; R841-V845 WeakPolarHBondContact O-CB 3.38Å; R841-V845 WeakPolarHBondContact O-CG2 3.44Å; R841-V845 PolarHBondContact O-N 3.33Å |
| 842 | N | 68.9 | Low | 68.9 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.1 | -33.4 | 178.2 | -165 | 101.1 | 0 | 0 | 0 | 110.9 | L838 V839 V845 N846 | L838-N842 WeakPolarHBondContact O-CB 3.38Å; L838-N842 PolarHBondContact O-N 3.34Å; V839-N842 CarbonylContact O-C 3.52Å; V839-N842 WeakPolarHBondContact O-CA 3.46Å; V839-N842 WeakPolarHBondContact O-CB 3.28Å; V839-N842 PolarHBondContact O-N 3.12Å; N842-V845 CarbonylContact O-C 3.59Å; N842-V845 PolarHBondContact O-N 3.21Å; N842-N846 PolarHBondContact ND2-ND2 2.77Å; N842-N846 PolarHBondContact ND2-OD1 3.41Å; N842-N846 VanDerWaalsContact O-CB 3.28Å; N842-N846 WeakPolarHBondContact O-CB 3.07Å; N842-N846 PolarHBondContact O-N 3.48Å; N842-N846 PolarHBondContact O-ND2 3.46Å; N842-N846 PolarHBondContact O-OD1 3.47Å |
| 843 | D | 68.4 | Low | 69.2 | Low | 73 Ų | 73 | 97 Ų | 97 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -47.3 | 173.6 | -60.8 | -27.1 | 0 | 0 | 0 | 109.3 | V839 R841 V845 N846 D847 | V839-D843 VanDerWaalsContact CG1-OD2 3.32Å; V839-D843 WeakPolarHBondContact CG1-OD2 3.5Å; V839-D843 PolarHBondContact O-N 2.99Å; R841-D843 VanDerWaalsContact C-N 3.34Å; D843-V845 VanDerWaalsContact C-N 3.29Å; D843-V845 PolarHBondContact O-N 2.71Å; D843-N846 CarbonylContact O-C 3.57Å; D843-N846 WeakPolarHBondContact O-CA 3.12Å; D843-N846 WeakPolarHBondContact O-CB 3.44Å; D843-N846 PolarHBondContact O-N 2.79Å; D843-D847 WeakPolarHBondContact O-CB 3.26Å; D843-D847 VanDerWaalsContact O-CG 3.29Å; D843-D847 PolarHBondContact O-N 2.76Å |
| 844 | V | 72.2 | Confident | 69.5 | Low | 81 Ų | 81 | 98.3 Ų | 98.3 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 171.5 | 169.8 | 0 | 0 | 0 | 0 | 112.6 | T840 L848 | T840-V844 WeakPolarHBondContact O-CB 3.21Å; T840-V844 VanDerWaalsContact O-CG2 3.31Å; T840-V844 WeakPolarHBondContact O-CG2 3.38Å; T840-V844 PolarHBondContact O-N 2.77Å; V844-L848 HydrophobicContact CG1-CD1 4.03Å; V844-L848 VanDerWaalsContact O-CB 3.26Å; V844-L848 WeakPolarHBondContact O-CB 3.34Å; V844-L848 WeakPolarHBondContact O-CD1 3.34Å; V844-L848 WeakPolarHBondContact O-CG 3.47Å; V844-L848 PolarHBondContact O-N 3.38Å |
| 845 | V | 67.2 | Low | 69.8 | Low | 70 Ų | 70 | 99.5 Ų | 99.5 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.1 | -31 | 173.1 | 165.2 | 0 | 0 | 0 | 0 | 111.7 | R841 N842 D843 N849 | R841-V845 VanDerWaalsContact O-CB 3.3Å; R841-V845 WeakPolarHBondContact O-CB 3.38Å; R841-V845 WeakPolarHBondContact O-CG2 3.44Å; R841-V845 PolarHBondContact O-N 3.33Å; N842-V845 CarbonylContact O-C 3.59Å; N842-V845 PolarHBondContact O-N 3.21Å; D843-V845 VanDerWaalsContact C-N 3.29Å; D843-V845 PolarHBondContact O-N 2.71Å; V845-N849 WeakPolarHBondContact O-CB 3.34Å; V845-N849 PolarHBondContact O-N 2.81Å; V845-N849 PolarHBondContact O-ND2 3.45Å |
| 846 | N | 70.2 | Confident | 70.3 | Confident | 68 Ų | 68 | 97.6 Ų | 97.6 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 171.6 | -73.2 | -19.6 | 0 | 0 | 0 | 110.4 | N842 D843 N849 M850 | N842-N846 PolarHBondContact ND2-ND2 2.77Å; N842-N846 PolarHBondContact ND2-OD1 3.41Å; N842-N846 VanDerWaalsContact O-CB 3.28Å; N842-N846 WeakPolarHBondContact O-CB 3.07Å; N842-N846 PolarHBondContact O-N 3.48Å; N842-N846 PolarHBondContact O-ND2 3.46Å; N842-N846 PolarHBondContact O-OD1 3.47Å; D843-N846 CarbonylContact O-C 3.57Å; D843-N846 WeakPolarHBondContact O-CA 3.12Å; D843-N846 WeakPolarHBondContact O-CB 3.44Å; D843-N846 PolarHBondContact O-N 2.79Å; N846-N849 CarbonylContact O-C 3.54Å; N846-N849 PolarHBondContact O-N 2.83Å; N846-M850 WeakPolarHBondContact O-CB 3.35Å; N846-M850 VanDerWaalsContact O-CG 3.3Å; N846-M850 WeakPolarHBondContact O-CG 3.29Å; N846-M850 PolarHBondContact O-N 3.45Å |
| 847 | D | 70.5 | Confident | 70.6 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.7 | -69.1 | -23.7 | 0 | 0 | 0 | 110.7 | D843 N849 M850 E851 | D843-D847 WeakPolarHBondContact O-CB 3.26Å; D843-D847 VanDerWaalsContact O-CG 3.29Å; D843-D847 PolarHBondContact O-N 2.76Å; D847-N849 VanDerWaalsContact C-N 3.32Å; D847-N849 PolarHBondContact O-N 2.88Å; D847-M850 PolarHBondContact O-N 2.72Å; D847-M850 WeakPolarHBondContact OD1-CE 3.48Å; D847-E851 WeakPolarHBondContact O-CB 3.34Å; D847-E851 PolarHBondContact O-N 3.35Å |
| 848 | L | 73 | Confident | 71.1 | Confident | 97 Ų | 97 | 98.4 Ų | 98.4 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -32 | 173 | -74.6 | 169.2 | 0 | 0 | 0 | 112.6 | V844 L852 | V844-L848 HydrophobicContact CG1-CD1 4.03Å; V844-L848 VanDerWaalsContact O-CB 3.26Å; V844-L848 WeakPolarHBondContact O-CB 3.34Å; V844-L848 WeakPolarHBondContact O-CD1 3.34Å; V844-L848 WeakPolarHBondContact O-CG 3.47Å; V844-L848 PolarHBondContact O-N 3.38Å; L848-L852 WeakPolarHBondContact O-CB 3.41Å; L848-L852 PolarHBondContact O-N 2.85Å |
| 849 | N | 71.1 | Confident | 71.6 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.1 | -37.4 | 173.1 | -80.6 | -23.4 | 0 | 0 | 0 | 111.8 | V845 N846 D847 L852 E853 | V845-N849 WeakPolarHBondContact O-CB 3.34Å; V845-N849 PolarHBondContact O-N 2.81Å; V845-N849 PolarHBondContact O-ND2 3.45Å; N846-N849 CarbonylContact O-C 3.54Å; N846-N849 PolarHBondContact O-N 2.83Å; D847-N849 VanDerWaalsContact C-N 3.32Å; D847-N849 PolarHBondContact O-N 2.88Å; N849-L852 CarbonylContact O-C 3.6Å; N849-L852 PolarHBondContact O-N 3.43Å; N849-E853 WeakPolarHBondContact O-CB 3.22Å; N849-E853 PolarHBondContact O-N 3.16Å |
| 850 | M | 76.7 | Confident | 72 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 173.5 | -74.8 | -174.1 | -62.8 | 0 | 0 | 110.8 | N846 D847 K854 | N846-M850 WeakPolarHBondContact O-CB 3.35Å; N846-M850 VanDerWaalsContact O-CG 3.3Å; N846-M850 WeakPolarHBondContact O-CG 3.29Å; N846-M850 PolarHBondContact O-N 3.45Å; D847-M850 PolarHBondContact O-N 2.72Å; D847-M850 WeakPolarHBondContact OD1-CE 3.48Å; M850-K854 WeakPolarHBondContact O-CB 3.2Å; M850-K854 PolarHBondContact O-N 3.23Å |
| 851 | E | 73 | Confident | 72.3 | Confident | 116 Ų | 116 | 96.4 Ų | 96.4 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 172 | -171 | 168.3 | -134.2 | 0 | 0 | 111.1 | D847 K855 | D847-E851 WeakPolarHBondContact O-CB 3.34Å; D847-E851 PolarHBondContact O-N 3.35Å; E851-K855 HydrophobicContact CG-CG 4.45Å; E851-K855 VanDerWaalsContact O-CB 3.26Å; E851-K855 WeakPolarHBondContact O-CB 3.48Å; E851-K855 WeakPolarHBondContact O-CG 3.33Å; E851-K855 PolarHBondContact O-N 2.81Å |
| 852 | L | 72.4 | Confident | 72.8 | Confident | 119 Ų | 119 | 93.2 Ų | 93.2 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.2 | -37.6 | 174.1 | -170.2 | 108.6 | 0 | 0 | 0 | 112.3 | L848 N849 K855 Q856 | L848-L852 WeakPolarHBondContact O-CB 3.41Å; L848-L852 PolarHBondContact O-N 2.85Å; N849-L852 CarbonylContact O-C 3.6Å; N849-L852 PolarHBondContact O-N 3.43Å; L852-K855 CarbonylContact O-C 3.5Å; L852-K855 PolarHBondContact O-N 3.46Å; L852-Q856 WeakPolarHBondContact O-CB 3.44Å; L852-Q856 PolarHBondContact O-N 2.92Å |
| 853 | E | 70.6 | Confident | 73.1 | Confident | 135 Ų | 135 | 94.1 Ų | 94.1 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.3 | -41.5 | 177 | -171.8 | 164.6 | -132.3 | 0 | 0 | 110.3 | N849 K855 Q856 D857 | N849-E853 WeakPolarHBondContact O-CB 3.22Å; N849-E853 PolarHBondContact O-N 3.16Å; E853-K855 PolarHBondContact O-N 2.9Å; E853-Q856 CarbonylContact O-C 3.58Å; E853-Q856 WeakPolarHBondContact O-CB 3.3Å; E853-Q856 PolarHBondContact O-N 3.36Å; E853-D857 WeakPolarHBondContact O-CB 3.5Å; E853-D857 PolarHBondContact O-N 3.04Å |
| 854 | K | 76.2 | Confident | 73.5 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.8 | -40.8 | 168.6 | -179 | 179.6 | 177.7 | -178.3 | 0 | 112.1 | M850 D857 E858 | M850-K854 WeakPolarHBondContact O-CB 3.2Å; M850-K854 PolarHBondContact O-N 3.23Å; K854-D857 PolarHBondContact O-N 3.49Å; K854-E858 WeakPolarHBondContact O-CG 3.31Å; K854-E858 PolarHBondContact O-N 3.29Å |
| 855 | K | 73.4 | Confident | 73.5 | Confident | 91 Ų | 91 | 95 Ų | 95 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.2 | -33.6 | 174.4 | -70.9 | -68.9 | 167.9 | -138.2 | 0 | 112 | E851 L852 E853 D857 E858 I859 | E851-K855 HydrophobicContact CG-CG 4.45Å; E851-K855 VanDerWaalsContact O-CB 3.26Å; E851-K855 WeakPolarHBondContact O-CB 3.48Å; E851-K855 WeakPolarHBondContact O-CG 3.33Å; E851-K855 PolarHBondContact O-N 2.81Å; L852-K855 CarbonylContact O-C 3.5Å; L852-K855 PolarHBondContact O-N 3.46Å; E853-K855 PolarHBondContact O-N 2.9Å; K855-D857 VanDerWaalsContact C-N 3.32Å; K855-E858 WeakPolarHBondContact CD-OE2 3.44Å; K855-E858 IonicContact NZ-OE1 3.88Å; K855-E858 PolarHBondContact NZ-OE1 3.31Å; K855-E858 IonicContact NZ-OE2 3.76Å; K855-E858 PolarHBondContact NZ-OE2 2.82Å; K855-E858 PolarHBondContact O-N 2.78Å; K855-I859 VanDerWaalsContact O-CB 3.27Å; K855-I859 WeakPolarHBondContact O-CB 3.49Å; K855-I859 WeakPolarHBondContact O-CD1 3.47Å; K855-I859 WeakPolarHBondContact O-CG1 3.39Å; K855-I859 PolarHBondContact O-N 3.22Å |
| 856 | Q | 75.5 | Confident | 73.8 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 171.4 | -175.4 | 58.5 | 58.8 | 0 | 0 | 110.4 | L852 E853 I859 N860 | L852-Q856 WeakPolarHBondContact O-CB 3.44Å; L852-Q856 PolarHBondContact O-N 2.92Å; E853-Q856 CarbonylContact O-C 3.58Å; E853-Q856 WeakPolarHBondContact O-CB 3.3Å; E853-Q856 PolarHBondContact O-N 3.36Å; Q856-I859 CarbonylContact O-C 3.58Å; Q856-I859 WeakPolarHBondContact O-CB 3.48Å; Q856-I859 PolarHBondContact O-N 2.94Å; Q856-N860 PolarHBondContact NE2-OD1 2.83Å; Q856-N860 WeakPolarHBondContact O-CB 3.19Å; Q856-N860 PolarHBondContact O-N 2.91Å; Q856-N860 PolarHBondContact O-ND2 3.49Å; Q856-N860 VanDerWaalsContact O-ND2 3.17Å; Q856-N860 PolarHBondContact O-OD1 3.39Å |
| 857 | D | 73.2 | Confident | 73.8 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.6 | -32.5 | 174.8 | -92.1 | -7.6 | 0 | 0 | 0 | 113.7 | E853 K854 K855 I859 N860 N861 | E853-D857 WeakPolarHBondContact O-CB 3.5Å; E853-D857 PolarHBondContact O-N 3.04Å; K854-D857 PolarHBondContact O-N 3.49Å; K855-D857 VanDerWaalsContact C-N 3.32Å; D857-I859 VanDerWaalsContact C-N 3.31Å; D857-N860 PolarHBondContact O-N 3.23Å; D857-N860 PolarHBondContact OD1-ND2 3.46Å; D857-N861 VanDerWaalsContact O-CB 3.3Å; D857-N861 WeakPolarHBondContact O-CB 3.28Å; D857-N861 PolarHBondContact O-N 3.32Å; D857-N861 PolarHBondContact O-ND2 2.86Å |
| 858 | E | 74.3 | Confident | 73.8 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 163.4 | -74.8 | 173.3 | -144.9 | 0 | 0 | 109.9 | K854 K855 N861 L862 | K854-E858 WeakPolarHBondContact O-CG 3.31Å; K854-E858 PolarHBondContact O-N 3.29Å; K855-E858 WeakPolarHBondContact CD-OE2 3.44Å; K855-E858 IonicContact NZ-OE1 3.88Å; K855-E858 PolarHBondContact NZ-OE1 3.31Å; K855-E858 IonicContact NZ-OE2 3.76Å; K855-E858 PolarHBondContact NZ-OE2 2.82Å; K855-E858 PolarHBondContact O-N 2.78Å; E858-N861 PolarHBondContact O-N 2.95Å; E858-L862 WeakPolarHBondContact O-CB 3.24Å; E858-L862 VanDerWaalsContact O-CG 3.24Å; E858-L862 WeakPolarHBondContact O-CG 3.31Å; E858-L862 PolarHBondContact O-N 3.35Å |
| 859 | I | 73.4 | Confident | 73.7 | Confident | 73 Ų | 73 | 101.1 Ų | 101.1 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -36.6 | 174.9 | -73 | 165.8 | 0 | 0 | 0 | 111.9 | K855 Q856 D857 L862 H863 | K855-I859 VanDerWaalsContact O-CB 3.27Å; K855-I859 WeakPolarHBondContact O-CB 3.49Å; K855-I859 WeakPolarHBondContact O-CD1 3.47Å; K855-I859 WeakPolarHBondContact O-CG1 3.39Å; K855-I859 PolarHBondContact O-N 3.22Å; Q856-I859 CarbonylContact O-C 3.58Å; Q856-I859 WeakPolarHBondContact O-CB 3.48Å; Q856-I859 PolarHBondContact O-N 2.94Å; D857-I859 VanDerWaalsContact C-N 3.31Å; I859-L862 PolarHBondContact O-N 3.28Å; I859-H863 WeakPolarHBondContact CG2-ND1 3.43Å; I859-H863 WeakPolarHBondContact O-CB 3.28Å; I859-H863 PolarHBondContact O-N 2.79Å; I859-H863 PolarHBondContact O-ND1 3.22Å |
| 860 | N | 76.5 | Confident | 73.7 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 33% | 0.326 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 176.9 | -66.3 | -26.3 | 0 | 0 | 0 | 110.4 | Q856 D857 H863 L864 | Q856-N860 PolarHBondContact NE2-OD1 2.83Å; Q856-N860 WeakPolarHBondContact O-CB 3.19Å; Q856-N860 PolarHBondContact O-N 2.91Å; Q856-N860 PolarHBondContact O-ND2 3.49Å; Q856-N860 VanDerWaalsContact O-ND2 3.17Å; Q856-N860 PolarHBondContact O-OD1 3.39Å; D857-N860 PolarHBondContact O-N 3.23Å; D857-N860 PolarHBondContact OD1-ND2 3.46Å; N860-H863 PolarHBondContact O-N 3.43Å; N860-L864 VanDerWaalsContact O-CB 3.32Å; N860-L864 WeakPolarHBondContact O-CB 3.46Å; N860-L864 WeakPolarHBondContact O-CG 3.45Å; N860-L864 PolarHBondContact O-N 3.04Å |
| 861 | N | 76.5 | Confident | 73.5 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 174.3 | -80.2 | -68.8 | 0 | 0 | 0 | 112 | D857 E858 L864 T865 | D857-N861 VanDerWaalsContact O-CB 3.3Å; D857-N861 WeakPolarHBondContact O-CB 3.28Å; D857-N861 PolarHBondContact O-N 3.32Å; D857-N861 PolarHBondContact O-ND2 2.86Å; E858-N861 PolarHBondContact O-N 2.95Å; N861-L864 PolarHBondContact O-N 3.35Å; N861-T865 VanDerWaalsContact O-CB 3.27Å; N861-T865 WeakPolarHBondContact O-CB 3.26Å; N861-T865 PolarHBondContact O-N 3.42Å; N861-T865 PolarHBondContact O-OG1 3.06Å |
| 862 | L | 76.6 | Confident | 73.5 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 171.3 | -74.9 | 169.4 | 0 | 0 | 0 | 111.3 | E858 I859 T865 L866 | E858-L862 WeakPolarHBondContact O-CB 3.24Å; E858-L862 VanDerWaalsContact O-CG 3.24Å; E858-L862 WeakPolarHBondContact O-CG 3.31Å; E858-L862 PolarHBondContact O-N 3.35Å; I859-L862 PolarHBondContact O-N 3.28Å; L862-T865 CarbonylContact O-C 3.52Å; L862-T865 PolarHBondContact O-N 3.22Å; L862-L866 VanDerWaalsContact O-CB 3.25Å; L862-L866 WeakPolarHBondContact O-CB 3.32Å; L862-L866 PolarHBondContact O-N 2.95Å |
| 863 | H | 73.5 | Confident | 73.3 | Confident | 103 Ų | 103 | 96.1 Ų | 96.1 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 171.6 | -79.6 | 100.8 | 0 | 0 | 0 | 112 | I859 N860 T865 L866 D867 | I859-H863 WeakPolarHBondContact CG2-ND1 3.43Å; I859-H863 WeakPolarHBondContact O-CB 3.28Å; I859-H863 PolarHBondContact O-N 2.79Å; I859-H863 PolarHBondContact O-ND1 3.22Å; N860-H863 PolarHBondContact O-N 3.43Å; H863-T865 PolarHBondContact O-N 2.85Å; H863-L866 CarbonylContact O-C 3.6Å; H863-L866 PolarHBondContact O-N 2.61Å; H863-D867 WeakPolarHBondContact O-CB 3.36Å; H863-D867 PolarHBondContact O-N 2.88Å |
| 864 | L | 77.2 | Confident | 73.3 | Confident | 93 Ų | 93 | 94.1 Ų | 94.1 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -27.9 | 174.3 | -82 | 165 | 0 | 0 | 0 | 112.8 | N860 N861 K868 | N860-L864 VanDerWaalsContact O-CB 3.32Å; N860-L864 WeakPolarHBondContact O-CB 3.46Å; N860-L864 WeakPolarHBondContact O-CG 3.45Å; N860-L864 PolarHBondContact O-N 3.04Å; N861-L864 PolarHBondContact O-N 3.35Å; L864-K868 WeakPolarHBondContact O-CB 3.31Å; L864-K868 WeakPolarHBondContact O-CD 3.36Å; L864-K868 WeakPolarHBondContact O-CG 3.49Å; L864-K868 PolarHBondContact O-N 3.01Å; L864-K868 VanDerWaalsContact O-N 3.16Å |
| 865 | T | 72.4 | Confident | 72.8 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79.9 | -39.3 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 111 | N861 L862 H863 K868 Y869 | N861-T865 VanDerWaalsContact O-CB 3.27Å; N861-T865 WeakPolarHBondContact O-CB 3.26Å; N861-T865 PolarHBondContact O-N 3.42Å; N861-T865 PolarHBondContact O-OG1 3.06Å; L862-T865 CarbonylContact O-C 3.52Å; L862-T865 PolarHBondContact O-N 3.22Å; H863-T865 PolarHBondContact O-N 2.85Å; T865-K868 PolarHBondContact O-N 3.48Å; T865-Y869 VanDerWaalsContact O-CB 3.3Å; T865-Y869 WeakPolarHBondContact O-CB 3.04Å; T865-Y869 PolarHBondContact O-N 2.84Å |
| 866 | L | 73.7 | Confident | 72.3 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 173.5 | -176.2 | 59.6 | 0 | 0 | 0 | 111.6 | L862 H863 Y869 N870 | L862-L866 VanDerWaalsContact O-CB 3.25Å; L862-L866 WeakPolarHBondContact O-CB 3.32Å; L862-L866 PolarHBondContact O-N 2.95Å; H863-L866 CarbonylContact O-C 3.6Å; H863-L866 PolarHBondContact O-N 2.61Å; L866-Y869 HydrophobicContact CD1-CD1 4.4Å; L866-Y869 CarbonylContact O-C 3.54Å; L866-Y869 PolarHBondContact O-N 3.28Å; L866-N870 WeakPolarHBondContact O-CB 3.3Å; L866-N870 PolarHBondContact O-N 3.45Å; L866-N870 PolarHBondContact O-ND2 3.02Å |
| 867 | D | 70.6 | Confident | 71.8 | Confident | 97 Ų | 97 | 90.3 Ų | 90.3 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.4 | -36 | 174.1 | -79.8 | -17.1 | 0 | 0 | 0 | 111.9 | H863 S871 | H863-D867 WeakPolarHBondContact O-CB 3.36Å; H863-D867 PolarHBondContact O-N 2.88Å; D867-S871 WeakPolarHBondContact O-CB 3.41Å; D867-S871 PolarHBondContact O-N 3.39Å |
| 868 | K | 70.8 | Confident | 71.6 | Confident | 138 Ų | 138 | 90.8 Ų | 90.8 | 60% | 0.6 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 168.8 | -74.7 | 163.4 | -165.4 | 165.2 | 0 | 111 | L864 T865 S871 F872 | L864-K868 WeakPolarHBondContact O-CB 3.31Å; L864-K868 WeakPolarHBondContact O-CD 3.36Å; L864-K868 WeakPolarHBondContact O-CG 3.49Å; L864-K868 PolarHBondContact O-N 3.01Å; L864-K868 VanDerWaalsContact O-N 3.16Å; T865-K868 PolarHBondContact O-N 3.48Å; K868-S871 PolarHBondContact O-N 2.95Å; K868-F872 VanDerWaalsContact O-CB 3.24Å; K868-F872 WeakPolarHBondContact O-CB 3.26Å; K868-F872 PolarHBondContact O-N 3.46Å |
| 869 | Y | 70.5 | Confident | 71.1 | Confident | 135 Ų | 135 | 93.6 Ų | 93.6 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 177.6 | -179 | -107.1 | 0 | 0 | 0 | 112.1 | T865 L866 F872 N873 | T865-Y869 VanDerWaalsContact O-CB 3.3Å; T865-Y869 WeakPolarHBondContact O-CB 3.04Å; T865-Y869 PolarHBondContact O-N 2.84Å; L866-Y869 HydrophobicContact CD1-CD1 4.4Å; L866-Y869 CarbonylContact O-C 3.54Å; L866-Y869 PolarHBondContact O-N 3.28Å; Y869-F872 PolarHBondContact O-N 2.83Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.32Å; Y869-N873 VanDerWaalsContact O-CB 3.29Å; Y869-N873 WeakPolarHBondContact O-CB 3.35Å; Y869-N873 PolarHBondContact O-N 3.41Å; Y869-N873 PolarHBondContact OH-ND2 3.18Å |
| 870 | N | 71.4 | Confident | 70.5 | Confident | 75 Ų | 75 | 93.9 Ų | 93.9 | 40% | 0.401 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 174 | -72.4 | -20.8 | 0 | 0 | 0 | 111.1 | L866 N873 Q874 | L866-N870 WeakPolarHBondContact O-CB 3.3Å; L866-N870 PolarHBondContact O-N 3.45Å; L866-N870 PolarHBondContact O-ND2 3.02Å; N870-N873 PolarHBondContact O-N 3Å; N870-Q874 WeakPolarHBondContact O-CB 3.21Å; N870-Q874 PolarHBondContact O-N 3.02Å |
| 871 | S | 71.1 | Confident | 69.8 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 51% | 0.51 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 112 | D867 K868 Q874 T875 | D867-S871 WeakPolarHBondContact O-CB 3.41Å; D867-S871 PolarHBondContact O-N 3.39Å; K868-S871 PolarHBondContact O-N 2.95Å; S871-Q874 PolarHBondContact O-N 3.26Å; S871-T875 VanDerWaalsContact O-CB 3.32Å; S871-T875 WeakPolarHBondContact O-CB 3.15Å; S871-T875 PolarHBondContact O-N 2.95Å; S871-T875 PolarHBondContact O-OG1 2.89Å |
| 872 | F | 72.9 | Confident | 69.3 | Low | 126 Ų | 126 | 93 Ų | 93 | 55% | 0.553 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.7 | -47.3 | 173 | -179 | -110.1 | 0 | 0 | 0 | 111.7 | K868 Y869 Q874 T875 I876 | K868-F872 VanDerWaalsContact O-CB 3.24Å; K868-F872 WeakPolarHBondContact O-CB 3.26Å; K868-F872 PolarHBondContact O-N 3.46Å; Y869-F872 PolarHBondContact O-N 2.83Å; F872-Q874 PolarHBondContact O-N 3.47Å; F872-T875 CarbonylContact O-C 3.53Å; F872-T875 WeakPolarHBondContact O-CA 3.41Å; F872-T875 WeakPolarHBondContact O-CB 3.34Å; F872-T875 PolarHBondContact O-N 3.19Å; F872-T875 VanDerWaalsContact O-N 3.13Å; F872-I876 HydrophobicContact CD1-CD1 3.88Å; F872-I876 HydrophobicContact CE1-CD1 3.4Å; F872-I876 HydrophobicContact CE2-CD1 4.19Å; F872-I876 HydrophobicContact CG-CD1 4.47Å; F872-I876 HydrophobicContact CZ-CD1 3.59Å; F872-I876 HydrophobicContact CZ-CG1 4.47Å; F872-I876 PolarHBondContact O-N 3.06Å |
| 873 | N | 68 | Low | 68.6 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 29% | 0.289 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 174.4 | -81.2 | -7 | 0 | 0 | 0 | 112.1 | Y869 N870 T875 I876 H877 | Y869-N873 WeakPolarHBondContact CE1-ND2 3.32Å; Y869-N873 VanDerWaalsContact O-CB 3.29Å; Y869-N873 WeakPolarHBondContact O-CB 3.35Å; Y869-N873 PolarHBondContact O-N 3.41Å; Y869-N873 PolarHBondContact OH-ND2 3.18Å; N870-N873 PolarHBondContact O-N 3Å; N873-T875 VanDerWaalsContact C-N 3.31Å; N873-I876 PolarHBondContact O-N 3.09Å; N873-H877 WeakPolarHBondContact O-CB 3.31Å; N873-H877 PolarHBondContact O-N 3.33Å |
| 874 | Q | 70.7 | Confident | 67.9 | Low | 92 Ų | 92 | 90.4 Ų | 90.4 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 174.4 | -160.5 | 69.9 | 3.3 | 0 | 0 | 110.8 | N870 S871 F872 N878 | N870-Q874 WeakPolarHBondContact O-CB 3.21Å; N870-Q874 PolarHBondContact O-N 3.02Å; S871-Q874 PolarHBondContact O-N 3.26Å; F872-Q874 PolarHBondContact O-N 3.47Å; Q874-N878 WeakPolarHBondContact O-CB 3.28Å; Q874-N878 PolarHBondContact O-N 3.04Å; Q874-N878 PolarHBondContact O-ND2 3.01Å |
| 875 | T | 66.8 | Low | 67.3 | Low | 87 Ų | 87 | 92.6 Ų | 92.6 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 173.4 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | S871 F872 N873 N878 F879 | S871-T875 VanDerWaalsContact O-CB 3.32Å; S871-T875 WeakPolarHBondContact O-CB 3.15Å; S871-T875 PolarHBondContact O-N 2.95Å; S871-T875 PolarHBondContact O-OG1 2.89Å; F872-T875 CarbonylContact O-C 3.53Å; F872-T875 WeakPolarHBondContact O-CA 3.41Å; F872-T875 WeakPolarHBondContact O-CB 3.34Å; F872-T875 PolarHBondContact O-N 3.19Å; F872-T875 VanDerWaalsContact O-N 3.13Å; N873-T875 VanDerWaalsContact C-N 3.31Å; T875-N878 PolarHBondContact O-N 2.96Å; T875-F879 WeakPolarHBondContact O-CB 3.26Å; T875-F879 PolarHBondContact O-N 3.04Å |
| 876 | I | 63.6 | Low | 67 | Low | 67 Ų | 67 | 94.1 Ų | 94.1 | 34% | 0.344 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 172.8 | -74 | 176.3 | 0 | 0 | 0 | 110.9 | F872 N873 N878 F879 I880 | F872-I876 HydrophobicContact CD1-CD1 3.88Å; F872-I876 HydrophobicContact CE1-CD1 3.4Å; F872-I876 HydrophobicContact CE2-CD1 4.19Å; F872-I876 HydrophobicContact CG-CD1 4.47Å; F872-I876 HydrophobicContact CZ-CD1 3.59Å; F872-I876 HydrophobicContact CZ-CG1 4.47Å; F872-I876 PolarHBondContact O-N 3.06Å; N873-I876 PolarHBondContact O-N 3.09Å; I876-N878 PolarHBondContact O-N 3.49Å; I876-F879 WeakPolarHBondContact O-CB 3.31Å; I876-F879 PolarHBondContact O-N 3.29Å; I876-F879 VanDerWaalsContact O-N 3.15Å; I876-I880 HydrophobicContact CG2-CD1 3.59Å; I876-I880 HydrophobicContact CG2-CG1 4.24Å; I876-I880 WeakPolarHBondContact O-CB 3.25Å; I876-I880 WeakPolarHBondContact O-CG1 2.98Å; I876-I880 PolarHBondContact O-N 3.08Å |
| 877 | H | 63.7 | Low | 66.5 | Low | 83 Ų | 83 | 93.6 Ų | 93.6 | 38% | 0.384 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 179.3 | -169 | 75.8 | 0 | 0 | 0 | 111.2 | N873 C881 | N873-H877 WeakPolarHBondContact O-CB 3.31Å; N873-H877 PolarHBondContact O-N 3.33Å; H877-C881 WeakPolarHBondContact O-CB 3.23Å; H877-C881 PolarHBondContact O-N 2.77Å; H877-C881 PolarHBondContact O-SG 3.01Å |
| 878 | N | 68.5 | Low | 66.1 | Low | 95 Ų | 95 | 89.6 Ų | 89.6 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 171.3 | -78.3 | -38.3 | 0 | 0 | 0 | 112.1 | Q874 T875 I876 N882 | Q874-N878 WeakPolarHBondContact O-CB 3.28Å; Q874-N878 PolarHBondContact O-N 3.04Å; Q874-N878 PolarHBondContact O-ND2 3.01Å; T875-N878 PolarHBondContact O-N 2.96Å; I876-N878 PolarHBondContact O-N 3.49Å; N878-N882 WeakPolarHBondContact O-CB 3.45Å; N878-N882 PolarHBondContact O-N 2.87Å |
| 879 | F | 64.3 | Low | 66 | Low | 135 Ų | 135 | 86.8 Ų | 86.8 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.8 | -53.2 | 177.2 | -168.4 | -84 | 0 | 0 | 0 | 111.2 | T875 I876 C881 N882 D883 | T875-F879 WeakPolarHBondContact O-CB 3.26Å; T875-F879 PolarHBondContact O-N 3.04Å; I876-F879 WeakPolarHBondContact O-CB 3.31Å; I876-F879 PolarHBondContact O-N 3.29Å; I876-F879 VanDerWaalsContact O-N 3.15Å; F879-C881 PolarHBondContact O-N 2.72Å; F879-N882 PolarHBondContact O-N 2.67Å; F879-N882 VanDerWaalsContact O-N 3.17Å; F879-D883 WeakPolarHBondContact CE1-OD2 3.16Å; F879-D883 PolarHBondContact O-N 2.85Å |
| 880 | I | 61.2 | Low | 65.8 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 176.8 | -67.9 | 172.2 | 0 | 0 | 0 | 110.7 | I876 N882 D883 H884 | I876-I880 HydrophobicContact CG2-CD1 3.59Å; I876-I880 HydrophobicContact CG2-CG1 4.24Å; I876-I880 WeakPolarHBondContact O-CB 3.25Å; I876-I880 WeakPolarHBondContact O-CG1 2.98Å; I876-I880 PolarHBondContact O-N 3.08Å; I880-N882 VanDerWaalsContact C-N 3.34Å; I880-N882 PolarHBondContact O-N 2.71Å; I880-D883 PolarHBondContact O-N 3.45Å; I880-H884 VanDerWaalsContact O-CB 3.26Å; I880-H884 WeakPolarHBondContact O-CB 3.42Å; I880-H884 PolarHBondContact O-CD2 2.72Å; I880-H884 VanDerWaalsContact O-CG 3.31Å; I880-H884 PolarHBondContact O-N 2.91Å |
| 881 | C | 61.2 | Low | 65.5 | Low | 57 Ų | 57 | 81.5 Ų | 81.5 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 178.2 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | H877 F879 R885 | H877-C881 WeakPolarHBondContact O-CB 3.23Å; H877-C881 PolarHBondContact O-N 2.77Å; H877-C881 PolarHBondContact O-SG 3.01Å; F879-C881 PolarHBondContact O-N 2.72Å; C881-R885 WeakPolarHBondContact O-CB 3.34Å; C881-R885 PolarHBondContact O-N 3.07Å |
| 882 | N | 67.6 | Low | 65.4 | Low | 81 Ų | 81 | 78.7 Ų | 78.7 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.8 | -38.9 | 177.4 | -166.1 | 39 | 0 | 0 | 0 | 112.1 | N878 F879 I880 R885 Q886 | N878-N882 WeakPolarHBondContact O-CB 3.45Å; N878-N882 PolarHBondContact O-N 2.87Å; F879-N882 PolarHBondContact O-N 2.67Å; F879-N882 VanDerWaalsContact O-N 3.17Å; I880-N882 VanDerWaalsContact C-N 3.34Å; I880-N882 PolarHBondContact O-N 2.71Å; N882-R885 WeakPolarHBondContact O-CB 3.47Å; N882-R885 PolarHBondContact O-N 3.29Å; N882-Q886 WeakPolarHBondContact O-CG 3.3Å; N882-Q886 PolarHBondContact O-N 3.16Å |
| 883 | D | 60.7 | Low | 65.3 | Low | 74 Ų | 74 | 78.7 Ų | 78.7 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 172.9 | -93.3 | 9.1 | 0 | 0 | 0 | 111.5 | F879 I880 R885 Q886 L887 | F879-D883 WeakPolarHBondContact CE1-OD2 3.16Å; F879-D883 PolarHBondContact O-N 2.85Å; I880-D883 PolarHBondContact O-N 3.45Å; D883-R885 VanDerWaalsContact C-N 3.29Å; D883-R885 PolarHBondContact O-N 3.04Å; D883-Q886 PolarHBondContact O-N 3.33Å; D883-L887 VanDerWaalsContact O-CB 3.28Å; D883-L887 WeakPolarHBondContact O-CB 3.48Å; D883-L887 PolarHBondContact O-N 3.46Å |
| 884 | H | 58.8 | Low | 65.3 | Low | 92 Ų | 92 | 78.4 Ų | 78.4 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 171.2 | -79.4 | -146.5 | 0 | 0 | 0 | 110.5 | I880 Q886 L887 Y888 | I880-H884 VanDerWaalsContact O-CB 3.26Å; I880-H884 WeakPolarHBondContact O-CB 3.42Å; I880-H884 PolarHBondContact O-CD2 2.72Å; I880-H884 VanDerWaalsContact O-CG 3.31Å; I880-H884 PolarHBondContact O-N 2.91Å; H884-Q886 PolarHBondContact O-N 2.97Å; H884-L887 PolarHBondContact O-N 2.7Å; H884-L887 VanDerWaalsContact O-N 3.16Å; H884-Y888 HydrophobicContact CB-CD2 4.44Å; H884-Y888 HydrophobicContact CB-CE2 4.37Å; H884-Y888 WeakPolarHBondContact O-CB 3.08Å; H884-Y888 WeakPolarHBondContact O-CD2 3.46Å; H884-Y888 PolarHBondContact O-N 3.22Å |
| 885 | R | 65.5 | Low | 65.1 | Low | 139 Ų | 139 | 75.1 Ų | 75.1 | 53% | 0.525 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 177 | -169.7 | -178.6 | -166.6 | -139.3 | 9.3 | 112.7 | C881 N882 D883 Q889 | C881-R885 WeakPolarHBondContact O-CB 3.34Å; C881-R885 PolarHBondContact O-N 3.07Å; N882-R885 WeakPolarHBondContact O-CB 3.47Å; N882-R885 PolarHBondContact O-N 3.29Å; D883-R885 VanDerWaalsContact C-N 3.29Å; D883-R885 PolarHBondContact O-N 3.04Å; R885-Q889 WeakPolarHBondContact O-CB 3.05Å; R885-Q889 WeakPolarHBondContact O-CG 3.37Å; R885-Q889 PolarHBondContact O-N 2.73Å |
| 886 | Q | 65.2 | Low | 65.3 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 172.3 | -74 | -164 | 74 | 0 | 0 | 112.1 | N882 D883 H884 Q889 S890 | N882-Q886 WeakPolarHBondContact O-CG 3.3Å; N882-Q886 PolarHBondContact O-N 3.16Å; D883-Q886 PolarHBondContact O-N 3.33Å; H884-Q886 PolarHBondContact O-N 2.97Å; Q886-Q889 PolarHBondContact O-N 2.74Å; Q886-S890 WeakPolarHBondContact O-CB 3.46Å; Q886-S890 PolarHBondContact O-N 2.61Å; Q886-S890 PolarHBondContact O-OG 3.22Å |
| 887 | L | 64.1 | Low | 65.6 | Low | 74 Ų | 74 | 74.8 Ų | 74.8 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 179.7 | -161.9 | 145.9 | 0 | 0 | 0 | 110.8 | D883 H884 S890 L891 | D883-L887 VanDerWaalsContact O-CB 3.28Å; D883-L887 WeakPolarHBondContact O-CB 3.48Å; D883-L887 PolarHBondContact O-N 3.46Å; H884-L887 PolarHBondContact O-N 2.7Å; H884-L887 VanDerWaalsContact O-N 3.16Å; L887-S890 WeakPolarHBondContact O-CB 3.45Å; L887-S890 PolarHBondContact O-N 3.37Å; L887-L891 HydrophobicContact CD2-CD1 3.73Å; L887-L891 HydrophobicContact CG-CD1 4.42Å; L887-L891 VanDerWaalsContact O-CD1 3.28Å; L887-L891 WeakPolarHBondContact O-CD1 3.03Å; L887-L891 PolarHBondContact O-N 2.81Å |
| 888 | Y | 61.6 | Low | 65.7 | Low | 13 Ų | 13 | 73.6 Ų | 73.6 | 5% | 0.051 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 169.9 | -77.5 | -61.9 | 0 | 0 | 0 | 113.1 | H884 S890 L891 I892 F956 S964 L965 | H884-Y888 HydrophobicContact CB-CD2 4.44Å; H884-Y888 HydrophobicContact CB-CE2 4.37Å; H884-Y888 WeakPolarHBondContact O-CB 3.08Å; H884-Y888 WeakPolarHBondContact O-CD2 3.46Å; H884-Y888 PolarHBondContact O-N 3.22Å; Y888-S890 PolarHBondContact O-N 2.8Å; Y888-L891 PolarHBondContact O-N 2.78Å; Y888-I892 WeakPolarHBondContact O-CB 3.49Å; Y888-I892 VanDerWaalsContact O-CG1 3.31Å; Y888-I892 WeakPolarHBondContact O-CG1 3.13Å; Y888-I892 PolarHBondContact O-N 2.64Å; Y888-F956 HydrophobicContact CD2-CE2 4.24Å; Y888-F956 AromaticContact CD2-CZ 3.55Å; Y888-F956 HydrophobicContact CD2-CZ 3.55Å; Y888-F956 AromaticContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CG-CZ 4.29Å; Y888-S964 VanDerWaalsContact OH-C 3.23Å; Y888-S964 WeakPolarHBondContact OH-CB 3.49Å; Y888-S964 PolarHBondContact OH-OG 3.05Å; Y888-L965 HydrophobicContact CE1-CG 4.21Å; Y888-L965 WeakPolarHBondContact OH-CA 3.33Å; Y888-L965 WeakPolarHBondContact OH-CB 3.49Å; Y888-L965 WeakPolarHBondContact OH-CG 3.28Å; Y888-L965 PolarHBondContact OH-N 3.45Å |
| 889 | Q | 68.2 | Low | 65.7 | Low | 79 Ų | 79 | 70.3 Ų | 70.3 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 175.9 | -78.1 | -168.2 | 21.7 | 0 | 0 | 111.9 | R885 Q886 K893 | R885-Q889 WeakPolarHBondContact O-CB 3.05Å; R885-Q889 WeakPolarHBondContact O-CG 3.37Å; R885-Q889 PolarHBondContact O-N 2.73Å; Q886-Q889 PolarHBondContact O-N 2.74Å; Q889-K893 WeakPolarHBondContact O-CB 3.37Å; Q889-K893 VanDerWaalsContact O-CG 3.24Å; Q889-K893 WeakPolarHBondContact O-CG 3.34Å; Q889-K893 PolarHBondContact O-N 3.37Å |
| 890 | S | 66.3 | Low | 66 | Low | 71 Ų | 71 | 67.8 Ų | 67.8 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70 | -44.2 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | Q886 L887 Y888 K893 L894 | Q886-S890 WeakPolarHBondContact O-CB 3.46Å; Q886-S890 PolarHBondContact O-N 2.61Å; Q886-S890 PolarHBondContact O-OG 3.22Å; L887-S890 WeakPolarHBondContact O-CB 3.45Å; L887-S890 PolarHBondContact O-N 3.37Å; Y888-S890 PolarHBondContact O-N 2.8Å; S890-K893 PolarHBondContact O-N 2.96Å; S890-L894 VanDerWaalsContact O-CB 3.31Å; S890-L894 WeakPolarHBondContact O-CB 3.47Å; S890-L894 PolarHBondContact O-N 2.85Å |
| 891 | L | 65.3 | Low | 66.4 | Low | 28 Ų | 28 | 68.7 Ų | 68.7 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 172.6 | -98.5 | 81.6 | 0 | 0 | 0 | 112 | L887 Y888 K893 L894 C895 F968 F1009 | L887-L891 HydrophobicContact CD2-CD1 3.73Å; L887-L891 HydrophobicContact CG-CD1 4.42Å; L887-L891 VanDerWaalsContact O-CD1 3.28Å; L887-L891 WeakPolarHBondContact O-CD1 3.03Å; L887-L891 PolarHBondContact O-N 2.81Å; Y888-L891 PolarHBondContact O-N 2.78Å; L891-K893 PolarHBondContact O-N 2.7Å; L891-L894 PolarHBondContact O-N 3.2Å; L891-C895 WeakPolarHBondContact O-CB 3.46Å; L891-C895 PolarHBondContact O-N 3.28Å; L891-C895 PolarHBondContact O-SG 3.38Å; L891-F968 HydrophobicContact CD2-CD1 4.24Å; L891-F968 HydrophobicContact CD2-CE1 3.62Å; L891-F968 HydrophobicContact CD2-CZ 4.35Å; L891-F1009 HydrophobicContact CD2-CE1 4.05Å; L891-F1009 HydrophobicContact CD2-CZ 3.71Å; L891-F1009 HydrophobicContact CG-CE1 4.28Å; L891-F1009 HydrophobicContact CG-CZ 3.75Å |
| 892 | I | 68.9 | Low | 66.5 | Low | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 180 | -69.2 | 171.5 | 0 | 0 | 0 | 110.4 | Y888 L894 C895 Q896 F945 K949 F953 | Y888-I892 WeakPolarHBondContact O-CB 3.49Å; Y888-I892 VanDerWaalsContact O-CG1 3.31Å; Y888-I892 WeakPolarHBondContact O-CG1 3.13Å; Y888-I892 PolarHBondContact O-N 2.64Å; I892-L894 PolarHBondContact O-N 2.86Å; I892-C895 PolarHBondContact O-N 3.17Å; I892-Q896 HydrophobicContact CG2-CG 4.44Å; I892-Q896 WeakPolarHBondContact O-CB 3.17Å; I892-Q896 WeakPolarHBondContact O-CG 3.3Å; I892-Q896 PolarHBondContact O-N 3.14Å; I892-F945 HydrophobicContact CG2-CZ 4.39Å; I892-K949 HydrophobicContact CG2-CD 4.07Å; I892-K949 HydrophobicContact CG2-CG 4.48Å; I892-F953 HydrophobicContact CD1-CD2 4.37Å; I892-F953 HydrophobicContact CD1-CE2 3.8Å |
| 893 | K | 70.7 | Confident | 66.6 | Low | 126 Ų | 126 | 67.7 Ų | 67.7 | 55% | 0.548 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.2 | -77.7 | 170.6 | -178.6 | 168.7 | 0 | 112.5 | Q889 S890 L891 S897 | Q889-K893 WeakPolarHBondContact O-CB 3.37Å; Q889-K893 VanDerWaalsContact O-CG 3.24Å; Q889-K893 WeakPolarHBondContact O-CG 3.34Å; Q889-K893 PolarHBondContact O-N 3.37Å; S890-K893 PolarHBondContact O-N 2.96Å; L891-K893 PolarHBondContact O-N 2.7Å; K893-S897 VanDerWaalsContact O-CB 3.29Å; K893-S897 WeakPolarHBondContact O-CB 3.39Å; K893-S897 PolarHBondContact O-N 2.68Å; K893-S897 PolarHBondContact O-OG 3.04Å |
| 894 | L | 68.6 | Low | 67.1 | Low | 49 Ų | 49 | 67.4 Ų | 67.4 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 178.6 | -176.6 | 58.5 | 0 | 0 | 0 | 111.6 | S890 L891 I892 K898 F1009 | S890-L894 VanDerWaalsContact O-CB 3.31Å; S890-L894 WeakPolarHBondContact O-CB 3.47Å; S890-L894 PolarHBondContact O-N 2.85Å; L891-L894 PolarHBondContact O-N 3.2Å; I892-L894 PolarHBondContact O-N 2.86Å; L894-K898 WeakPolarHBondContact O-CG 3.21Å; L894-K898 PolarHBondContact O-N 2.95Å; L894-K898 VanDerWaalsContact O-N 3.09Å; L894-F1009 HydrophobicContact CD2-CD2 3.61Å; L894-F1009 HydrophobicContact CD2-CE2 3.75Å; L894-F1009 HydrophobicContact CG-CE2 4.45Å |
| 895 | C | 65.5 | Low | 67.4 | Low | 23 Ų | 23 | 64.7 Ų | 64.7 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 176 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | L891 I892 S897 K898 I899 F945 | L891-C895 WeakPolarHBondContact O-CB 3.46Å; L891-C895 PolarHBondContact O-N 3.28Å; L891-C895 PolarHBondContact O-SG 3.38Å; I892-C895 PolarHBondContact O-N 3.17Å; C895-S897 VanDerWaalsContact C-N 3.34Å; C895-S897 PolarHBondContact O-N 3.02Å; C895-K898 PolarHBondContact O-N 3.03Å; C895-I899 WeakPolarHBondContact O-CG1 3.44Å; C895-I899 PolarHBondContact O-N 3.21Å; C895-F945 HydrophobicContact CB-CD2 4.27Å; C895-F945 HydrophobicContact CB-CE2 3.39Å; C895-F945 HydrophobicContact CB-CZ 3.66Å |
| 896 | Q | 72.3 | Confident | 67.3 | Low | 71 Ų | 71 | 58.9 Ų | 58.9 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 175.7 | -74.6 | -166.1 | -94.7 | 0 | 0 | 112.1 | I892 K898 T900 F945 | I892-Q896 HydrophobicContact CG2-CG 4.44Å; I892-Q896 WeakPolarHBondContact O-CB 3.17Å; I892-Q896 WeakPolarHBondContact O-CG 3.3Å; I892-Q896 PolarHBondContact O-N 3.14Å; Q896-K898 PolarHBondContact O-N 3.37Å; Q896-T900 VanDerWaalsContact O-CB 3.3Å; Q896-T900 WeakPolarHBondContact O-CB 3.45Å; Q896-T900 PolarHBondContact O-N 3.29Å; Q896-T900 PolarHBondContact O-OG1 2.92Å; Q896-F945 HydrophobicContact CG-CE1 3.56Å; Q896-F945 HydrophobicContact CG-CZ 3.97Å |
| 897 | S | 69.8 | Low | 67.5 | Low | 76 Ų | 76 | 58.1 Ų | 58.1 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.1 | -61.3 | 0 | 0 | 0 | 0 | 112 | K893 C895 W901 | K893-S897 VanDerWaalsContact O-CB 3.29Å; K893-S897 WeakPolarHBondContact O-CB 3.39Å; K893-S897 PolarHBondContact O-N 2.68Å; K893-S897 PolarHBondContact O-OG 3.04Å; C895-S897 VanDerWaalsContact C-N 3.34Å; C895-S897 PolarHBondContact O-N 3.02Å; S897-W901 WeakPolarHBondContact O-CB 3.28Å; S897-W901 PolarHBondContact O-N 2.91Å |
| 898 | K | 66.1 | Low | 67.6 | Low | 58 Ų | 58 | 59.1 Ų | 59.1 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.9 | -44.1 | 178.8 | -73.6 | 179.7 | -178.3 | -172.8 | 0 | 113 | L894 C895 Q896 T900 W901 I902 C1005 | L894-K898 WeakPolarHBondContact O-CG 3.21Å; L894-K898 PolarHBondContact O-N 2.95Å; L894-K898 VanDerWaalsContact O-N 3.09Å; C895-K898 PolarHBondContact O-N 3.03Å; Q896-K898 PolarHBondContact O-N 3.37Å; K898-T900 VanDerWaalsContact C-N 3.3Å; K898-T900 PolarHBondContact O-N 2.9Å; K898-W901 PolarHBondContact O-N 2.95Å; K898-I902 WeakPolarHBondContact O-CG1 3.3Å; K898-I902 PolarHBondContact O-N 3.43Å; K898-C1005 VanDerWaalsContact CE-SG 3.53Å; K898-C1005 PolarHBondContact NZ-SG 3.43Å |
| 899 | I | 67.7 | Low | 67.6 | Low | 26 Ų | 26 | 59.6 Ų | 59.6 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.7 | -66.2 | 167.3 | 0 | 0 | 0 | 110.1 | C895 W901 I902 L903 N942 F945 | C895-I899 WeakPolarHBondContact O-CG1 3.44Å; C895-I899 PolarHBondContact O-N 3.21Å; I899-W901 VanDerWaalsContact C-N 3.35Å; I899-W901 PolarHBondContact O-N 3.44Å; I899-I902 PolarHBondContact O-N 2.7Å; I899-L903 HydrophobicContact CG2-CD1 4.04Å; I899-L903 WeakPolarHBondContact O-CG 2.86Å; I899-L903 PolarHBondContact O-N 3.43Å; I899-N942 HydrophobicContact CG2-CB 4.1Å; I899-F945 HydrophobicContact CD1-CB 3.84Å; I899-F945 HydrophobicContact CD1-CD1 3.73Å; I899-F945 HydrophobicContact CD1-CD2 4.03Å; I899-F945 HydrophobicContact CD1-CE1 4.35Å; I899-F945 HydrophobicContact CD1-CG 3.55Å |
| 900 | T | 71.9 | Confident | 67.4 | Low | 82 Ų | 82 | 58.2 Ų | 58.2 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.6 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | Q896 K898 L903 T904 | Q896-T900 VanDerWaalsContact O-CB 3.3Å; Q896-T900 WeakPolarHBondContact O-CB 3.45Å; Q896-T900 PolarHBondContact O-N 3.29Å; Q896-T900 PolarHBondContact O-OG1 2.92Å; K898-T900 VanDerWaalsContact C-N 3.3Å; K898-T900 PolarHBondContact O-N 2.9Å; T900-L903 PolarHBondContact O-N 3.13Å; T900-T904 WeakPolarHBondContact O-CB 3.45Å; T900-T904 PolarHBondContact O-N 2.89Å; T900-T904 PolarHBondContact O-OG1 3.26Å |
| 901 | W | 69.7 | Low | 67.3 | Low | 98 Ų | 98 | 60.9 Ų | 60.9 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 177.3 | -176.9 | 87.5 | 0 | 0 | 0 | 112.4 | S897 K898 I899 L903 T904 E905 L1001 | S897-W901 WeakPolarHBondContact O-CB 3.28Å; S897-W901 PolarHBondContact O-N 2.91Å; K898-W901 PolarHBondContact O-N 2.95Å; I899-W901 VanDerWaalsContact C-N 3.35Å; I899-W901 PolarHBondContact O-N 3.44Å; W901-L903 PolarHBondContact O-N 2.92Å; W901-T904 WeakPolarHBondContact O-CA 3.41Å; W901-T904 WeakPolarHBondContact O-CB 3.47Å; W901-T904 PolarHBondContact O-N 3.43Å; W901-E905 HydrophobicContact CD2-CG 3.98Å; W901-E905 HydrophobicContact CE3-CG 4.27Å; W901-E905 HydrophobicContact CH2-CG 3.82Å; W901-E905 HydrophobicContact CZ2-CG 3.5Å; W901-E905 WeakPolarHBondContact CZ2-OE1 3.2Å; W901-E905 HydrophobicContact CZ3-CG 4.17Å; W901-E905 PolarHBondContact O-N 3.03Å; W901-L1001 HydrophobicContact CE3-CD1 4.34Å; W901-L1001 HydrophobicContact CE3-CD2 3.91Å; W901-L1001 HydrophobicContact CH2-CD1 3.59Å; W901-L1001 HydrophobicContact CH2-CD2 3.9Å; W901-L1001 HydrophobicContact CH2-CG 4.3Å; W901-L1001 HydrophobicContact CZ2-CD1 3.96Å; W901-L1001 HydrophobicContact CZ3-CD1 3.82Å; W901-L1001 HydrophobicContact CZ3-CD2 3.33Å; W901-L1001 HydrophobicContact CZ3-CG 4.18Å |
| 902 | I | 63.3 | Low | 67.2 | Low | 61 Ų | 61 | 64.5 Ų | 64.5 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 174.9 | -67.7 | 166.5 | 0 | 0 | 0 | 110 | K898 I899 T904 E905 M906 | K898-I902 WeakPolarHBondContact O-CG1 3.3Å; K898-I902 PolarHBondContact O-N 3.43Å; I899-I902 PolarHBondContact O-N 2.7Å; I902-T904 PolarHBondContact O-N 2.71Å; I902-E905 PolarHBondContact O-N 3.27Å; I902-M906 HydrophobicContact CG2-SD 4.18Å; I902-M906 WeakPolarHBondContact O-CB 3.38Å; I902-M906 VanDerWaalsContact O-CG 3.3Å; I902-M906 WeakPolarHBondContact O-CG 3.34Å; I902-M906 PolarHBondContact O-N 3.08Å |
| 903 | L | 68.5 | Low | 66.7 | Low | 56 Ų | 56 | 67.7 Ų | 67.7 | 29% | 0.293 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -29.1 | 175.7 | -69.3 | 169.9 | 0 | 0 | 0 | 112.6 | I899 T900 W901 N907 A938 | I899-L903 HydrophobicContact CG2-CD1 4.04Å; I899-L903 WeakPolarHBondContact O-CG 2.86Å; I899-L903 PolarHBondContact O-N 3.43Å; T900-L903 PolarHBondContact O-N 3.13Å; W901-L903 PolarHBondContact O-N 2.92Å; L903-N907 WeakPolarHBondContact O-CB 3.19Å; L903-N907 PolarHBondContact O-N 3.2Å; L903-N907 PolarHBondContact O-ND2 2.72Å; L903-A938 HydrophobicContact CD2-CB 4.33Å |
| 904 | T | 72.5 | Confident | 66.2 | Low | 68 Ų | 68 | 67.7 Ų | 67.7 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.3 | -48 | 179.1 | -57 | 0 | 0 | 0 | 0 | 112 | T900 W901 I902 M906 N907 Q908 | T900-T904 WeakPolarHBondContact O-CB 3.45Å; T900-T904 PolarHBondContact O-N 2.89Å; T900-T904 PolarHBondContact O-OG1 3.26Å; W901-T904 WeakPolarHBondContact O-CA 3.41Å; W901-T904 WeakPolarHBondContact O-CB 3.47Å; W901-T904 PolarHBondContact O-N 3.43Å; I902-T904 PolarHBondContact O-N 2.71Å; T904-M906 VanDerWaalsContact C-N 3.31Å; T904-M906 PolarHBondContact O-N 2.96Å; T904-N907 PolarHBondContact O-N 3.25Å; T904-N907 VanDerWaalsContact O-N 3.13Å; T904-Q908 PolarHBondContact O-N 2.98Å |
| 905 | E | 64.5 | Low | 65.7 | Low | 34 Ų | 34 | 71.4 Ų | 71.4 | 16% | 0.159 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.4 | -30.7 | 176.7 | -69.5 | -89.2 | 176 | 0 | 0 | 111.8 | W901 I902 S909 R997 | W901-E905 HydrophobicContact CD2-CG 3.98Å; W901-E905 HydrophobicContact CE3-CG 4.27Å; W901-E905 HydrophobicContact CH2-CG 3.82Å; W901-E905 HydrophobicContact CZ2-CG 3.5Å; W901-E905 WeakPolarHBondContact CZ2-OE1 3.2Å; W901-E905 HydrophobicContact CZ3-CG 4.17Å; W901-E905 PolarHBondContact O-N 3.03Å; I902-E905 PolarHBondContact O-N 3.27Å; E905-S909 WeakPolarHBondContact O-CB 3.42Å; E905-S909 PolarHBondContact O-N 3.48Å; E905-S909 PolarHBondContact O-OG 2.87Å; E905-R997 VanDerWaalsContact CD-NH2 3.28Å; E905-R997 IonicContact OE1-CZ 2.7Å; E905-R997 IonicContact OE1-NH1 3.92Å; E905-R997 IonicContact OE1-NH2 3.77Å; E905-R997 PolarHBondContact OE1-NH2 2.95Å; E905-R997 IonicContact OE2-CZ 2.96Å; E905-R997 IonicContact OE2-NH1 2.66Å; E905-R997 PolarHBondContact OE2-NH1 3.41Å; E905-R997 IonicContact OE2-NH2 3.62Å; E905-R997 PolarHBondContact OE2-NH2 3Å |
| 906 | M | 63.5 | Low | 64.9 | Low | 17 Ų | 17 | 74.6 Ų | 74.6 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -55.3 | 164.5 | -76.4 | -177.7 | 68.8 | 0 | 0 | 110.5 | I902 T904 Q908 S909 K910 Y931 I934 E935 A938 | I902-M906 HydrophobicContact CG2-SD 4.18Å; I902-M906 WeakPolarHBondContact O-CB 3.38Å; I902-M906 VanDerWaalsContact O-CG 3.3Å; I902-M906 WeakPolarHBondContact O-CG 3.34Å; I902-M906 PolarHBondContact O-N 3.08Å; T904-M906 VanDerWaalsContact C-N 3.31Å; T904-M906 PolarHBondContact O-N 2.96Å; M906-Q908 PolarHBondContact O-N 3.25Å; M906-S909 CarbonylContact O-C 3.16Å; M906-S909 WeakPolarHBondContact O-CA 3.32Å; M906-S909 WeakPolarHBondContact O-CB 3.44Å; M906-S909 PolarHBondContact O-N 2.61Å; M906-K910 PolarHBondContact O-N 2.79Å; M906-Y931 PolarHBondContact O-OH 2.92Å; M906-I934 HydrophobicContact CE-CB 4.26Å; M906-I934 HydrophobicContact CE-CG2 3.6Å; M906-I934 HydrophobicContact SD-CG2 4.05Å; M906-E935 HydrophobicContact CE-CB 4.24Å; M906-A938 HydrophobicContact CE-CB 4.37Å; M906-A938 HydrophobicContact SD-CB 3.98Å |
| 907 | N | 68.3 | Low | 63.5 | Low | 97 Ų | 97 | 79.4 Ų | 79.4 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.5 | -34.3 | 179.2 | -84.2 | -69.3 | 0 | 0 | 0 | 113.3 | L903 T904 K910 Q911 | L903-N907 WeakPolarHBondContact O-CB 3.19Å; L903-N907 PolarHBondContact O-N 3.2Å; L903-N907 PolarHBondContact O-ND2 2.72Å; T904-N907 PolarHBondContact O-N 3.25Å; T904-N907 VanDerWaalsContact O-N 3.13Å; N907-K910 PolarHBondContact O-N 3.22Å; N907-Q911 WeakPolarHBondContact O-CG 3.46Å; N907-Q911 PolarHBondContact O-N 3.38Å |
| 908 | Q | 66.8 | Low | 62.4 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 171.2 | -73.3 | -178.7 | -66.3 | 0 | 0 | 112.7 | T904 M906 K910 Q911 N912 | T904-Q908 PolarHBondContact O-N 2.98Å; M906-Q908 PolarHBondContact O-N 3.25Å; Q908-K910 VanDerWaalsContact C-N 3.31Å; Q908-K910 PolarHBondContact O-N 3.18Å; Q908-Q911 PolarHBondContact O-N 2.72Å; Q908-N912 PolarHBondContact O-N 3.31Å; Q908-N912 PolarHBondContact O-ND2 2.92Å |
| 909 | S | 61.7 | Low | 61.1 | Low | 22 Ų | 22 | 88.1 Ų | 88.1 | 15% | 0.154 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | E905 M906 N912 L913 | E905-S909 WeakPolarHBondContact O-CB 3.42Å; E905-S909 PolarHBondContact O-N 3.48Å; E905-S909 PolarHBondContact O-OG 2.87Å; M906-S909 CarbonylContact O-C 3.16Å; M906-S909 WeakPolarHBondContact O-CA 3.32Å; M906-S909 WeakPolarHBondContact O-CB 3.44Å; M906-S909 PolarHBondContact O-N 2.61Å; S909-N912 PolarHBondContact O-N 3.1Å; S909-L913 PolarHBondContact O-N 2.95Å |
| 910 | K | 62.9 | Low | 59.9 | Low | 51 Ų | 51 | 93.3 Ų | 93.3 | 22% | 0.222 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 173.9 | -152.4 | 172 | -166.2 | 173.3 | 0 | 112 | M906 N907 Q908 N914 Y931 E935 | M906-K910 PolarHBondContact O-N 2.79Å; N907-K910 PolarHBondContact O-N 3.22Å; Q908-K910 VanDerWaalsContact C-N 3.31Å; Q908-K910 PolarHBondContact O-N 3.18Å; K910-N914 VanDerWaalsContact O-CG 3.3Å; K910-N914 PolarHBondContact O-N 2.78Å; K910-Y931 HydrophobicContact CB-CE1 4.02Å; K910-Y931 HydrophobicContact CD-CD1 4.31Å; K910-Y931 HydrophobicContact CD-CE1 3.72Å; K910-Y931 HydrophobicContact CG-CD1 4.41Å; K910-Y931 HydrophobicContact CG-CE1 3.78Å; K910-Y931 PolarHBondContact N-OH 3.4Å; K910-E935 IonicContact NZ-OE2 3.27Å; K910-E935 PolarHBondContact NZ-OE2 3.39Å |
| 911 | Q | 66 | Low | 58.5 | Low | 126 Ų | 126 | 95.5 Ų | 95.5 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -37.3 | 172.4 | -74.8 | -173.2 | 1.7 | 0 | 0 | 112.7 | N907 Q908 N914 N915 | N907-Q911 WeakPolarHBondContact O-CG 3.46Å; N907-Q911 PolarHBondContact O-N 3.38Å; Q908-Q911 PolarHBondContact O-N 2.72Å; Q911-N914 PolarHBondContact O-N 3.27Å; Q911-N915 PolarHBondContact O-N 3.25Å; Q911-N915 PolarHBondContact O-ND2 3.06Å |
| 912 | N | 62.6 | Low | 57.7 | Low | 105 Ų | 105 | 97.7 Ų | 97.7 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 177.4 | -69.8 | -23.1 | 0 | 0 | 0 | 111.7 | Q908 S909 N914 N915 | Q908-N912 PolarHBondContact O-N 3.31Å; Q908-N912 PolarHBondContact O-ND2 2.92Å; S909-N912 PolarHBondContact O-N 3.1Å; N912-N914 VanDerWaalsContact C-N 3.33Å; N912-N914 PolarHBondContact O-N 3Å; N912-N915 PolarHBondContact O-N 2.74Å; N912-N915 VanDerWaalsContact O-N 3.09Å |
| 913 | L | 58.1 | Low | 57.4 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 42% | 0.419 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.7 | -45 | 172.8 | -86.1 | 159.5 | 0 | 0 | 0 | 112.2 | S909 N915 T916 Y931 | S909-L913 PolarHBondContact O-N 2.95Å; L913-N915 PolarHBondContact O-N 2.72Å; L913-N915 VanDerWaalsContact O-N 3.15Å; L913-T916 PolarHBondContact O-N 2.78Å; L913-T916 PolarHBondContact O-OG1 2.88Å; L913-Y931 HydrophobicContact CD1-CD2 3.68Å; L913-Y931 HydrophobicContact CD1-CE2 3.7Å |
| 914 | N | 60.4 | Low | 56.7 | Low | 126 Ų | 126 | 105.4 Ų | 105.4 | 67% | 0.674 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -6.7 | 177.7 | -73.3 | -10.4 | 0 | 0 | 0 | 114.6 | K910 Q911 N912 | K910-N914 VanDerWaalsContact O-CG 3.3Å; K910-N914 PolarHBondContact O-N 2.78Å; Q911-N914 PolarHBondContact O-N 3.27Å; N912-N914 VanDerWaalsContact C-N 3.33Å; N912-N914 PolarHBondContact O-N 3Å |
| 915 | N | 58.4 | Low | 56.4 | Low | 127 Ų | 127 | 108 Ų | 108 | 68% | 0.679 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -1.9 | -176.8 | -75.1 | -29.7 | 0 | 0 | 0 | 113.8 | Q911 N912 L913 | Q911-N915 PolarHBondContact O-N 3.25Å; Q911-N915 PolarHBondContact O-ND2 3.06Å; N912-N915 PolarHBondContact O-N 2.74Å; N912-N915 VanDerWaalsContact O-N 3.09Å; L913-N915 PolarHBondContact O-N 2.72Å; L913-N915 VanDerWaalsContact O-N 3.15Å |
| 916 | T | 48 | Very low | 56.4 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 55% | 0.546 | 57% | 0.573 | S | S | . | * | trans | -101.5 | 91.7 | -179.8 | 34.9 | 0 | 0 | 0 | 0 | 112.9 | L913 I918 | L913-T916 PolarHBondContact O-N 2.78Å; L913-T916 PolarHBondContact O-OG1 2.88Å; T916-I918 PolarHBondContact O-N 2.88Å | ||
| 917 | D | 43.3 | Very low | 56.3 | Low | 172 Ų | 172 | 114.5 Ų | 114.5 | 92% | 0.92 | 59% | 0.591 | S | S | * | * | trans | -66.3 | 87.4 | 164.5 | -73.1 | -40.5 | 0 | 0 | 0 | 110.5 | ||||
| 918 | I | 46.1 | Very low | 56.3 | Low | 146 Ų | 146 | 116.1 Ų | 116.1 | 75% | 0.749 | 59% | 0.59 | S | S | * | * | trans | -133.1 | 119.7 | 171.9 | -58.2 | -176.5 | 0 | 0 | 0 | 110.5 | T916 | T916-I918 PolarHBondContact O-N 2.88Š| ||
| 919 | E | 39.3 | Very low | 56.5 | Low | 172 Ų | 172 | 115.4 Ų | 115.4 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | trans | -77.2 | 150.9 | -174.2 | -54.9 | 173.4 | 132.5 | 0 | 0 | 113.9 | ||||
| 920 | N | 41.5 | Very low | 56.8 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | trans | 100.8 | 131.8 | 157.6 | -56 | -84 | 0 | 0 | 0 | 119.6 | ||||
| 921 | N | 42.9 | Very low | 57 | Low | 128 Ų | 128 | 115.6 Ų | 115.6 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 72.5 | 88.9 | 153.6 | -59.8 | -37 | 0 | 0 | 0 | 119.5 | N923 | N921-N923 VanDerWaalsContact C-N 3.29Å; N921-N923 PolarHBondContact O-N 2.78Å |
| 922 | N | 52 | Low | 57.4 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 62.5 | -32.5 | 141 | -61.1 | -0.9 | 0 | 0 | 0 | 120.9 | E924 | N922-E924 PolarHBondContact O-N 3.47Š|
| 923 | N | 57.6 | Low | 57.8 | Low | 116 Ų | 116 | 111.6 Ų | 111.6 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -12.5 | -175 | -67.6 | 13.5 | 0 | 0 | 0 | 113.4 | N921 Q925 D926 L927 | N921-N923 VanDerWaalsContact C-N 3.29Å; N921-N923 PolarHBondContact O-N 2.78Å; N923-Q925 VanDerWaalsContact C-N 3.33Å; N923-Q925 PolarHBondContact O-N 2.87Å; N923-D926 PolarHBondContact O-N 3.19Å; N923-L927 PolarHBondContact O-N 3.45Å |
| 924 | E | 54 | Low | 58.2 | Low | 164 Ų | 164 | 108 Ų | 108 | 77% | 0.766 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.5 | -39.2 | -176.2 | -167.1 | 174.7 | -143.5 | 0 | 0 | 112.8 | N922 Y928 | N922-E924 PolarHBondContact O-N 3.47Å; E924-Y928 WeakPolarHBondContact O-CB 3.46Å; E924-Y928 PolarHBondContact O-N 3.44Å |
| 925 | Q | 65.3 | Low | 58.8 | Low | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.7 | -39 | 179.3 | -169.4 | 68.3 | 67.7 | 0 | 0 | 112.1 | N923 Y928 N929 | N923-Q925 VanDerWaalsContact C-N 3.33Å; N923-Q925 PolarHBondContact O-N 2.87Å; Q925-Y928 PolarHBondContact O-N 2.91Å; Q925-N929 WeakPolarHBondContact O-CB 3.4Å; Q925-N929 PolarHBondContact O-N 3.47Å; Q925-N929 PolarHBondContact O-ND2 3.15Å; Q925-N929 VanDerWaalsContact O-ND2 3.17Å; Q925-N929 PolarHBondContact O-OD1 3.36Å |
| 926 | D | 64.9 | Low | 59.7 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.1 | -43.5 | -179.9 | -68 | -30.4 | 0 | 0 | 0 | 110.9 | N923 Y928 N929 E930 | N923-D926 PolarHBondContact O-N 3.19Å; D926-Y928 VanDerWaalsContact C-N 3.28Å; D926-Y928 PolarHBondContact O-N 3.31Å; D926-N929 WeakPolarHBondContact O-CB 3.24Å; D926-N929 PolarHBondContact O-N 3.16Å; D926-N929 VanDerWaalsContact O-N 3.11Å; D926-E930 WeakPolarHBondContact O-CG 3.38Å; D926-E930 PolarHBondContact O-N 3.32Å |
| 927 | L | 61.3 | Low | 60.7 | Low | 87 Ų | 87 | 99.7 Ų | 99.7 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.7 | -42.9 | 169.8 | -95.6 | 159.7 | 0 | 0 | 0 | 112.1 | N923 Y931 | N923-L927 PolarHBondContact O-N 3.45Å; L927-Y931 WeakPolarHBondContact O-CB 3.32Å; L927-Y931 PolarHBondContact O-N 2.86Å |
| 928 | Y | 68.2 | Low | 62 | Low | 131 Ų | 131 | 91.9 Ų | 91.9 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 177.4 | -156.3 | -94.8 | 0 | 0 | 0 | 112.5 | E924 Q925 D926 Y931 N932 | E924-Y928 WeakPolarHBondContact O-CB 3.46Å; E924-Y928 PolarHBondContact O-N 3.44Å; Q925-Y928 PolarHBondContact O-N 2.91Å; D926-Y928 VanDerWaalsContact C-N 3.28Å; D926-Y928 PolarHBondContact O-N 3.31Å; Y928-Y931 PolarHBondContact O-N 2.9Å; Y928-N932 WeakPolarHBondContact CD1-ND2 3.22Å; Y928-N932 VanDerWaalsContact CE1-ND2 3.26Å; Y928-N932 WeakPolarHBondContact CE1-ND2 3.36Å; Y928-N932 PolarHBondContact O-N 2.89Å; Y928-N932 VanDerWaalsContact O-N 3.11Å; Y928-N932 PolarHBondContact O-ND2 2.95Å |
| 929 | N | 72.2 | Confident | 63.4 | Low | 82 Ų | 82 | 89.6 Ų | 89.6 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 176.1 | -68.9 | -23.8 | 0 | 0 | 0 | 111.3 | Q925 D926 Y931 N932 Q933 | Q925-N929 WeakPolarHBondContact O-CB 3.4Å; Q925-N929 PolarHBondContact O-N 3.47Å; Q925-N929 PolarHBondContact O-ND2 3.15Å; Q925-N929 VanDerWaalsContact O-ND2 3.17Å; Q925-N929 PolarHBondContact O-OD1 3.36Å; D926-N929 WeakPolarHBondContact O-CB 3.24Å; D926-N929 PolarHBondContact O-N 3.16Å; D926-N929 VanDerWaalsContact O-N 3.11Å; N929-Y931 VanDerWaalsContact C-N 3.32Å; N929-Y931 PolarHBondContact O-N 3.03Å; N929-N932 PolarHBondContact O-N 3.21Å; N929-Q933 PolarHBondContact O-N 2.82Å |
| 930 | E | 66.6 | Low | 65.2 | Low | 62 Ų | 62 | 84.5 Ų | 84.5 | 29% | 0.29 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 176.4 | -63.1 | -163.2 | 143.5 | 0 | 0 | 111.5 | D926 N932 Q933 I934 K990 | D926-E930 WeakPolarHBondContact O-CG 3.38Å; D926-E930 PolarHBondContact O-N 3.32Å; E930-N932 VanDerWaalsContact C-N 3.3Å; E930-N932 PolarHBondContact O-N 3.46Å; E930-Q933 PolarHBondContact O-N 3.05Å; E930-Q933 VanDerWaalsContact O-N 3.17Å; E930-I934 VanDerWaalsContact O-CG1 3.3Å; E930-I934 WeakPolarHBondContact O-CG1 3.45Å; E930-I934 PolarHBondContact O-N 3.31Å; E930-K990 WeakPolarHBondContact OE1-CD 3.49Å; E930-K990 WeakPolarHBondContact OE1-CE 3.34Å; E930-K990 IonicContact OE1-NZ 3.89Å; E930-K990 PolarHBondContact OE1-NZ 3.25Å; E930-K990 VanDerWaalsContact OE2-CD 3.28Å; E930-K990 WeakPolarHBondContact OE2-CD 3.46Å |
| 931 | Y | 67.8 | Low | 66.7 | Low | 15 Ų | 15 | 79.1 Ų | 79.1 | 6% | 0.059 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 172.6 | -150.2 | -75.5 | 0 | 0 | 0 | 112.8 | M906 K910 L913 L927 Y928 N929 E935 | M906-Y931 PolarHBondContact O-OH 2.92Å; K910-Y931 HydrophobicContact CB-CE1 4.02Å; K910-Y931 HydrophobicContact CD-CD1 4.31Å; K910-Y931 HydrophobicContact CD-CE1 3.72Å; K910-Y931 HydrophobicContact CG-CD1 4.41Å; K910-Y931 HydrophobicContact CG-CE1 3.78Å; K910-Y931 PolarHBondContact N-OH 3.4Å; L913-Y931 HydrophobicContact CD1-CD2 3.68Å; L913-Y931 HydrophobicContact CD1-CE2 3.7Å; L927-Y931 WeakPolarHBondContact O-CB 3.32Å; L927-Y931 PolarHBondContact O-N 2.86Å; Y928-Y931 PolarHBondContact O-N 2.9Å; N929-Y931 VanDerWaalsContact C-N 3.32Å; N929-Y931 PolarHBondContact O-N 3.03Å; Y931-E935 WeakPolarHBondContact O-CB 3.03Å; Y931-E935 PolarHBondContact O-N 2.91Å |
| 932 | N | 74 | Confident | 68.4 | Low | 67 Ų | 67 | 75.6 Ų | 75.6 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.7 | -31.3 | 178.4 | -71.4 | -56.9 | 0 | 0 | 0 | 112.5 | Y928 N929 E930 E935 L936 | Y928-N932 WeakPolarHBondContact CD1-ND2 3.22Å; Y928-N932 VanDerWaalsContact CE1-ND2 3.26Å; Y928-N932 WeakPolarHBondContact CE1-ND2 3.36Å; Y928-N932 PolarHBondContact O-N 2.89Å; Y928-N932 VanDerWaalsContact O-N 3.11Å; Y928-N932 PolarHBondContact O-ND2 2.95Å; N929-N932 PolarHBondContact O-N 3.21Å; E930-N932 VanDerWaalsContact C-N 3.3Å; E930-N932 PolarHBondContact O-N 3.46Å; N932-E935 PolarHBondContact O-N 3.28Å; N932-L936 WeakPolarHBondContact O-CB 3.44Å; N932-L936 PolarHBondContact O-N 2.78Å |
| 933 | Q | 71.1 | Confident | 69.7 | Low | 79 Ų | 79 | 74.9 Ų | 74.9 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.5 | -47 | 173.2 | -170.4 | 62.7 | 51 | 0 | 0 | 111.1 | N929 E930 E935 L936 D937 | N929-Q933 PolarHBondContact O-N 2.82Å; E930-Q933 PolarHBondContact O-N 3.05Å; E930-Q933 VanDerWaalsContact O-N 3.17Å; Q933-E935 VanDerWaalsContact C-N 3.28Å; Q933-E935 PolarHBondContact O-N 2.79Å; Q933-L936 WeakPolarHBondContact O-CA 3.48Å; Q933-L936 WeakPolarHBondContact O-CB 3.34Å; Q933-L936 PolarHBondContact O-N 3.41Å; Q933-D937 PolarHBondContact NE2-OD1 2.96Å; Q933-D937 PolarHBondContact O-N 3.4Å |
| 934 | I | 67.8 | Low | 70.5 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.9 | -58.7 | 162.2 | 0 | 0 | 0 | 110.6 | M906 E930 L936 A938 L984 D987 L991 | M906-I934 HydrophobicContact CE-CB 4.26Å; M906-I934 HydrophobicContact CE-CG2 3.6Å; M906-I934 HydrophobicContact SD-CG2 4.05Å; E930-I934 VanDerWaalsContact O-CG1 3.3Å; E930-I934 WeakPolarHBondContact O-CG1 3.45Å; E930-I934 PolarHBondContact O-N 3.31Å; I934-L936 VanDerWaalsContact C-N 3.33Å; I934-A938 WeakPolarHBondContact O-CB 3.44Å; I934-A938 PolarHBondContact O-N 2.83Å; I934-L984 HydrophobicContact CG2-CD2 4.02Å; I934-D987 HydrophobicContact CD1-CB 3.99Å; I934-D987 WeakPolarHBondContact CD1-O 3.23Å; I934-D987 HydrophobicContact CG1-CB 3.48Å; I934-D987 VanDerWaalsContact CG1-CB 3.48Å; I934-L991 HydrophobicContact CD1-CD1 3.29Å |
| 935 | E | 72.7 | Confident | 71.6 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.3 | -29.8 | 174.4 | -168.3 | 179.6 | 136.1 | 0 | 0 | 113.2 | M906 K910 Y931 N932 Q933 K939 | M906-E935 HydrophobicContact CE-CB 4.24Å; K910-E935 IonicContact NZ-OE2 3.27Å; K910-E935 PolarHBondContact NZ-OE2 3.39Å; Y931-E935 WeakPolarHBondContact O-CB 3.03Å; Y931-E935 PolarHBondContact O-N 2.91Å; N932-E935 PolarHBondContact O-N 3.28Å; Q933-E935 VanDerWaalsContact C-N 3.28Å; Q933-E935 PolarHBondContact O-N 2.79Å; E935-K939 WeakPolarHBondContact O-CD 3.47Å; E935-K939 VanDerWaalsContact O-CG 3.27Å; E935-K939 WeakPolarHBondContact O-CG 3.46Å; E935-K939 PolarHBondContact O-N 3.19Å; E935-K939 WeakPolarHBondContact OE1-CE 3.32Å; E935-K939 IonicContact OE1-NZ 3.04Å; E935-K939 PolarHBondContact OE1-NZ 3.15Å |
| 936 | L | 76.5 | Confident | 72.1 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.8 | -53.2 | 172.9 | -171.5 | 67.6 | 0 | 0 | 0 | 110.5 | N932 Q933 I934 A938 K939 T940 | N932-L936 WeakPolarHBondContact O-CB 3.44Å; N932-L936 PolarHBondContact O-N 2.78Å; Q933-L936 WeakPolarHBondContact O-CA 3.48Å; Q933-L936 WeakPolarHBondContact O-CB 3.34Å; Q933-L936 PolarHBondContact O-N 3.41Å; I934-L936 VanDerWaalsContact C-N 3.33Å; L936-A938 VanDerWaalsContact C-N 3.3Å; L936-A938 PolarHBondContact O-N 3.46Å; L936-K939 WeakPolarHBondContact O-CB 3.44Å; L936-K939 PolarHBondContact O-N 2.94Å; L936-T940 PolarHBondContact O-N 3.45Å; L936-T940 PolarHBondContact O-OG1 3.25Å |
| 937 | D | 70.4 | Confident | 72.6 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | -176.9 | -60.8 | -5.6 | 0 | 0 | 0 | 111.3 | Q933 K939 T940 L941 H983 L984 | Q933-D937 PolarHBondContact NE2-OD1 2.96Å; Q933-D937 PolarHBondContact O-N 3.4Å; D937-K939 VanDerWaalsContact C-N 3.33Å; D937-K939 PolarHBondContact O-N 2.99Å; D937-T940 PolarHBondContact O-N 2.82Å; D937-L941 PolarHBondContact O-N 3.44Å; D937-H983 IonicContact OD2-CG 3.48Å; D937-H983 IonicContact OD2-ND1 2.59Å; D937-H983 PolarHBondContact OD2-ND1 3.42Å; D937-L984 HydrophobicContact CB-CD2 4.05Å; D937-L984 HydrophobicContact CB-CG 3.86Å |
| 938 | A | 69.8 | Low | 72.9 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -35.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L903 M906 I934 L936 N942 L984 | L903-A938 HydrophobicContact CD2-CB 4.33Å; M906-A938 HydrophobicContact CE-CB 4.37Å; M906-A938 HydrophobicContact SD-CB 3.98Å; I934-A938 WeakPolarHBondContact O-CB 3.44Å; I934-A938 PolarHBondContact O-N 2.83Å; L936-A938 VanDerWaalsContact C-N 3.3Å; L936-A938 PolarHBondContact O-N 3.46Å; A938-N942 WeakPolarHBondContact O-CB 3.25Å; A938-N942 PolarHBondContact O-N 3.46Å; A938-N942 VanDerWaalsContact O-N 3.12Å; A938-L984 HydrophobicContact CB-CD2 4.06Å |
| 939 | K | 76.3 | Confident | 72.9 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.7 | -43.6 | 173.6 | -73.5 | 167.2 | -170 | 162.3 | 0 | 110.9 | E935 L936 D937 L941 N942 E943 | E935-K939 WeakPolarHBondContact O-CD 3.47Å; E935-K939 VanDerWaalsContact O-CG 3.27Å; E935-K939 WeakPolarHBondContact O-CG 3.46Å; E935-K939 PolarHBondContact O-N 3.19Å; E935-K939 WeakPolarHBondContact OE1-CE 3.32Å; E935-K939 IonicContact OE1-NZ 3.04Å; E935-K939 PolarHBondContact OE1-NZ 3.15Å; L936-K939 WeakPolarHBondContact O-CB 3.44Å; L936-K939 PolarHBondContact O-N 2.94Å; D937-K939 VanDerWaalsContact C-N 3.33Å; D937-K939 PolarHBondContact O-N 2.99Å; K939-L941 PolarHBondContact O-N 2.88Å; K939-N942 CarbonylContact O-C 3.58Å; K939-N942 PolarHBondContact O-N 2.85Å; K939-N942 VanDerWaalsContact O-N 3.17Å; K939-E943 WeakPolarHBondContact O-CG 3.4Å; K939-E943 PolarHBondContact O-N 2.94Å |
| 940 | T | 76.2 | Confident | 72.9 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | L936 D937 E943 S944 | L936-T940 PolarHBondContact O-N 3.45Å; L936-T940 PolarHBondContact O-OG1 3.25Å; D937-T940 PolarHBondContact O-N 2.82Å; T940-E943 PolarHBondContact O-N 3.42Å; T940-S944 PolarHBondContact O-N 3.05Å; T940-S944 PolarHBondContact O-OG 3.45Å; T940-S944 VanDerWaalsContact O-OG 3.12Å |
| 941 | L | 74 | Confident | 72.9 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 172.7 | -169.8 | 72.2 | 0 | 0 | 0 | 111.6 | D937 K939 S944 F945 Y977 L984 | D937-L941 PolarHBondContact O-N 3.44Å; K939-L941 PolarHBondContact O-N 2.88Å; L941-S944 PolarHBondContact O-OG 2.98Å; L941-F945 WeakPolarHBondContact O-CB 3.5Å; L941-F945 PolarHBondContact O-N 3.09Å; L941-Y977 HydrophobicContact CD1-CD2 3.91Å; L941-Y977 HydrophobicContact CD1-CE2 4.05Å; L941-L984 HydrophobicContact CB-CD1 3.87Å; L941-L984 HydrophobicContact CD2-CD1 3.62Å; L941-L984 HydrophobicContact CG-CD1 4.3Å |
| 942 | N | 78.5 | Confident | 72.7 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.6 | 173.7 | 75.2 | 0 | 0 | 0 | 112.7 | I899 A938 K939 N946 | I899-N942 HydrophobicContact CG2-CB 4.1Å; A938-N942 WeakPolarHBondContact O-CB 3.25Å; A938-N942 PolarHBondContact O-N 3.46Å; A938-N942 VanDerWaalsContact O-N 3.12Å; K939-N942 CarbonylContact O-C 3.58Å; K939-N942 PolarHBondContact O-N 2.85Å; K939-N942 VanDerWaalsContact O-N 3.17Å; N942-N946 PolarHBondContact ND2-ND2 3.11Å; N942-N946 PolarHBondContact O-N 3.16Å; N942-N946 PolarHBondContact O-ND2 2.73Å; N942-N946 PolarHBondContact OD1-ND2 3.34Å |
| 943 | E | 78.6 | Confident | 72.1 | Confident | 128 Ų | 128 | 58.5 Ų | 58.5 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.3 | -48.5 | 175.4 | -75.7 | -178.5 | 163.7 | 0 | 0 | 111.2 | K939 T940 F945 N946 T947 | K939-E943 WeakPolarHBondContact O-CG 3.4Å; K939-E943 PolarHBondContact O-N 2.94Å; T940-E943 PolarHBondContact O-N 3.42Å; E943-F945 VanDerWaalsContact C-N 3.33Å; E943-F945 PolarHBondContact O-N 2.91Å; E943-N946 PolarHBondContact O-N 3.32Å; E943-T947 PolarHBondContact O-N 3.46Å; E943-T947 PolarHBondContact O-OG1 3.35Å |
| 944 | S | 73.5 | Confident | 71.7 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.2 | 61.6 | 0 | 0 | 0 | 0 | 113 | T940 L941 T947 M948 | T940-S944 PolarHBondContact O-N 3.05Å; T940-S944 PolarHBondContact O-OG 3.45Å; T940-S944 VanDerWaalsContact O-OG 3.12Å; L941-S944 PolarHBondContact O-OG 2.98Å; S944-T947 PolarHBondContact O-N 2.69Å; S944-M948 WeakPolarHBondContact O-CB 3.32Å; S944-M948 PolarHBondContact O-N 2.78Å |
| 945 | F | 77 | Confident | 71 | Confident | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 171.3 | 177.3 | -94.3 | 0 | 0 | 0 | 112.7 | I892 C895 Q896 I899 L941 E943 M948 K949 W971 | I892-F945 HydrophobicContact CG2-CZ 4.39Å; C895-F945 HydrophobicContact CB-CD2 4.27Å; C895-F945 HydrophobicContact CB-CE2 3.39Å; C895-F945 HydrophobicContact CB-CZ 3.66Å; Q896-F945 HydrophobicContact CG-CE1 3.56Å; Q896-F945 HydrophobicContact CG-CZ 3.97Å; I899-F945 HydrophobicContact CD1-CB 3.84Å; I899-F945 HydrophobicContact CD1-CD1 3.73Å; I899-F945 HydrophobicContact CD1-CD2 4.03Å; I899-F945 HydrophobicContact CD1-CE1 4.35Å; I899-F945 HydrophobicContact CD1-CG 3.55Å; L941-F945 WeakPolarHBondContact O-CB 3.5Å; L941-F945 PolarHBondContact O-N 3.09Å; E943-F945 VanDerWaalsContact C-N 3.33Å; E943-F945 PolarHBondContact O-N 2.91Å; F945-M948 PolarHBondContact O-N 2.85Å; F945-K949 HydrophobicContact CE1-CD 4.37Å; F945-K949 VanDerWaalsContact O-CB 3.3Å; F945-K949 WeakPolarHBondContact O-CB 3.46Å; F945-K949 PolarHBondContact O-N 3.23Å; F945-W971 HydrophobicContact CB-CH2 3.98Å; F945-W971 HydrophobicContact CB-CZ2 4.19Å; F945-W971 AromaticContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CZ3 4.15Å; F945-W971 HydrophobicContact CG-CH2 4.42Å |
| 946 | N | 77 | Confident | 70.1 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.9 | -34.4 | 177 | -76.4 | -67.7 | 0 | 0 | 0 | 112.2 | N942 E943 K949 H950 | N942-N946 PolarHBondContact ND2-ND2 3.11Å; N942-N946 PolarHBondContact O-N 3.16Å; N942-N946 PolarHBondContact O-ND2 2.73Å; N942-N946 PolarHBondContact OD1-ND2 3.34Å; E943-N946 PolarHBondContact O-N 3.32Å; N946-K949 PolarHBondContact O-N 3.23Å; N946-H950 PolarHBondContact O-N 2.93Å |
| 947 | T | 74.8 | Confident | 69 | Low | 86 Ų | 86 | 66.5 Ų | 66.5 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 170.1 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | E943 S944 K949 H950 L951 | E943-T947 PolarHBondContact O-N 3.46Å; E943-T947 PolarHBondContact O-OG1 3.35Å; S944-T947 PolarHBondContact O-N 2.69Å; T947-K949 PolarHBondContact O-N 2.7Å; T947-H950 PolarHBondContact O-N 3.45Å; T947-H950 VanDerWaalsContact O-N 3.16Å; T947-L951 HydrophobicContact CG2-CD1 4.37Å; T947-L951 WeakPolarHBondContact O-CG 3.25Å; T947-L951 PolarHBondContact O-N 3.28Å |
| 948 | M | 67.4 | Low | 67.8 | Low | 13 Ų | 13 | 68.8 Ų | 68.8 | 6% | 0.064 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -54.7 | -49.3 | 172.9 | 169.3 | 93.9 | -47.5 | 0 | 0 | 111.3 | S944 F945 H950 L951 I952 F968 W971 | S944-M948 WeakPolarHBondContact O-CB 3.32Å; S944-M948 PolarHBondContact O-N 2.78Å; F945-M948 PolarHBondContact O-N 2.85Å; M948-H950 VanDerWaalsContact C-N 3.27Å; M948-H950 PolarHBondContact O-N 3.01Å; M948-L951 PolarHBondContact O-N 3.09Å; M948-I952 HydrophobicContact CE-CD1 4.44Å; M948-I952 HydrophobicContact CG-CD1 3.86Å; M948-I952 WeakPolarHBondContact O-CG1 3.42Å; M948-I952 PolarHBondContact O-N 3.07Å; M948-I952 HydrophobicContact SD-CD1 3.94Å; M948-F968 HydrophobicContact CG-CD2 3.96Å; M948-F968 HydrophobicContact CG-CE2 4.29Å; M948-F968 HydrophobicContact SD-CB 4.45Å; M948-F968 HydrophobicContact SD-CD2 3.68Å; M948-F968 HydrophobicContact SD-CE2 4.43Å; M948-F968 HydrophobicContact SD-CG 4.48Å; M948-W971 HydrophobicContact CB-CD2 4.2Å; M948-W971 HydrophobicContact CB-CG 4.46Å; M948-W971 HydrophobicContact CE-CB 3.8Å; M948-W971 HydrophobicContact CE-CG 4.1Å; M948-W971 HydrophobicContact CG-CD2 4.01Å; M948-W971 HydrophobicContact CG-CE3 4.02Å; M948-W971 HydrophobicContact CG-CG 4.32Å; M948-W971 HydrophobicContact SD-CB 3.28Å; M948-W971 WeakPolarHBondContact SD-CB 3.3Å; M948-W971 HydrophobicContact SD-CD2 3.64Å; M948-W971 HydrophobicContact SD-CE3 3.8Å; M948-W971 HydrophobicContact SD-CG 3.44Å |
| 949 | K | 69.3 | Low | 66.4 | Low | 55 Ų | 55 | 76 Ų | 76 | 24% | 0.239 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 178.4 | -178.7 | 178.8 | 173.6 | -179.1 | 0 | 112.1 | I892 F945 N946 T947 F953 | I892-K949 HydrophobicContact CG2-CD 4.07Å; I892-K949 HydrophobicContact CG2-CG 4.48Å; F945-K949 HydrophobicContact CE1-CD 4.37Å; F945-K949 VanDerWaalsContact O-CB 3.3Å; F945-K949 WeakPolarHBondContact O-CB 3.46Å; F945-K949 PolarHBondContact O-N 3.23Å; N946-K949 PolarHBondContact O-N 3.23Å; T947-K949 PolarHBondContact O-N 2.7Å; K949-F953 HydrophobicContact CG-CD2 4.3Å; K949-F953 WeakPolarHBondContact O-CB 3.4Å; K949-F953 PolarHBondContact O-N 2.73Å; K949-F953 VanDerWaalsContact O-N 3.15Å |
| 950 | H | 72.2 | Confident | 64.7 | Low | 139 Ų | 139 | 79.2 Ų | 79.2 | 64% | 0.644 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.1 | -48.5 | 176 | -113.4 | -70.2 | 0 | 0 | 0 | 112.1 | N946 T947 M948 I952 F953 S954 | N946-H950 PolarHBondContact O-N 2.93Å; T947-H950 PolarHBondContact O-N 3.45Å; T947-H950 VanDerWaalsContact O-N 3.16Å; M948-H950 VanDerWaalsContact C-N 3.27Å; M948-H950 PolarHBondContact O-N 3.01Å; H950-I952 PolarHBondContact O-N 3.18Å; H950-F953 PolarHBondContact O-N 3.07Å; H950-S954 PolarHBondContact O-N 3.35Å; H950-S954 PolarHBondContact O-OG 2.68Å; H950-S954 VanDerWaalsContact O-OG 3.1Å |
| 951 | L | 66 | Low | 63.3 | Low | 97 Ų | 97 | 79 Ų | 79 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.7 | -49.5 | 177.4 | -69.7 | 166.7 | 0 | 0 | 0 | 111.2 | T947 M948 F953 S954 D955 | T947-L951 HydrophobicContact CG2-CD1 4.37Å; T947-L951 WeakPolarHBondContact O-CG 3.25Å; T947-L951 PolarHBondContact O-N 3.28Å; M948-L951 PolarHBondContact O-N 3.09Å; L951-F953 VanDerWaalsContact C-N 3.31Å; L951-F953 PolarHBondContact O-N 3.48Å; L951-S954 PolarHBondContact O-N 3.04Å; L951-S954 VanDerWaalsContact O-N 3.11Å; L951-D955 PolarHBondContact O-N 2.88Å |
| 952 | I | 63 | Low | 62.3 | Low | 11 Ų | 11 | 84 Ų | 84 | 6% | 0.056 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 179 | -69.5 | 171.3 | 0 | 0 | 0 | 111.9 | M948 H950 F956 F968 | M948-I952 HydrophobicContact CE-CD1 4.44Å; M948-I952 HydrophobicContact CG-CD1 3.86Å; M948-I952 WeakPolarHBondContact O-CG1 3.42Å; M948-I952 PolarHBondContact O-N 3.07Å; M948-I952 HydrophobicContact SD-CD1 3.94Å; H950-I952 PolarHBondContact O-N 3.18Å; I952-F956 HydrophobicContact CG2-CD2 4.24Å; I952-F956 HydrophobicContact CG2-CE2 3.85Å; I952-F956 WeakPolarHBondContact O-CD2 3.08Å; I952-F968 HydrophobicContact CD1-CB 3.94Å; I952-F968 HydrophobicContact CD1-CD2 3.59Å; I952-F968 HydrophobicContact CD1-CG 4.15Å |
| 953 | F | 62.1 | Low | 61.3 | Low | 105 Ų | 105 | 85.6 Ų | 85.6 | 46% | 0.461 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -80.3 | -13.8 | 177.9 | -96.1 | -81.8 | 0 | 0 | 0 | 114.9 | I892 K949 H950 L951 | I892-F953 HydrophobicContact CD1-CD2 4.37Å; I892-F953 HydrophobicContact CD1-CE2 3.8Å; K949-F953 HydrophobicContact CG-CD2 4.3Å; K949-F953 WeakPolarHBondContact O-CB 3.4Å; K949-F953 PolarHBondContact O-N 2.73Å; K949-F953 VanDerWaalsContact O-N 3.15Å; H950-F953 PolarHBondContact O-N 3.07Å; L951-F953 VanDerWaalsContact C-N 3.31Å; L951-F953 PolarHBondContact O-N 3.48Å |
| 954 | S | 61.9 | Low | 60.1 | Low | 74 Ų | 74 | 80.7 Ų | 80.7 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -75.1 | -43.6 | 176.9 | -74.8 | 0 | 0 | 0 | 0 | 112.3 | H950 L951 | H950-S954 PolarHBondContact O-N 3.35Å; H950-S954 PolarHBondContact O-OG 2.68Å; H950-S954 VanDerWaalsContact O-OG 3.1Å; L951-S954 PolarHBondContact O-N 3.04Å; L951-S954 VanDerWaalsContact O-N 3.11Å |
| 955 | D | 54.6 | Low | 59.3 | Low | 85 Ų | 85 | 82.6 Ų | 82.6 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -89.3 | -3.1 | -170.3 | -61.2 | -19.1 | 0 | 0 | 0 | 113.7 | L951 N957 A958 | L951-D955 PolarHBondContact O-N 2.88Å; D955-N957 PolarHBondContact O-N 2.64Å; D955-A958 PolarHBondContact O-N 2.93Å |
| 956 | F | 53.4 | Low | 58.7 | Low | 74 Ų | 74 | 87.4 Ų | 87.4 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 0.8 | -174.9 | -113.5 | -53 | 0 | 0 | 0 | 116 | Y888 I952 | Y888-F956 HydrophobicContact CD2-CE2 4.24Å; Y888-F956 AromaticContact CD2-CZ 3.55Å; Y888-F956 HydrophobicContact CD2-CZ 3.55Å; Y888-F956 AromaticContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CG-CZ 4.29Å; I952-F956 HydrophobicContact CG2-CD2 4.24Å; I952-F956 HydrophobicContact CG2-CE2 3.85Å; I952-F956 WeakPolarHBondContact O-CD2 3.08Å |
| 957 | N | 53.4 | Low | 58.2 | Low | 165 Ų | 165 | 88.7 Ų | 88.7 | 88% | 0.882 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 0.4 | -179.1 | -78.8 | -7.2 | 0 | 0 | 0 | 113.9 | D955 | D955-N957 PolarHBondContact O-N 2.64Š|
| 958 | A | 44.8 | Very low | 57.7 | Low | 70 Ų | 70 | 85 Ų | 85 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -106.4 | 140.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | D955 | D955-A958 PolarHBondContact O-N 2.93Š|
| 959 | E | 39.8 | Very low | 57.6 | Low | 158 Ų | 158 | 86.7 Ų | 86.7 | 74% | 0.738 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -65.1 | 146.5 | 171.6 | -68 | 168.6 | 125.3 | 0 | 0 | 110.2 | ||
| 960 | H | 40.6 | Very low | 57.6 | Low | 167 Ų | 167 | 88 Ų | 88 | 77% | 0.773 | 47% | 0.467 | S | S | * | . | trans | 60.4 | 98.9 | -170.6 | -49.1 | -89 | 0 | 0 | 0 | 115.9 | ||||
| 961 | N | 48.6 | Very low | 57.5 | Low | 60 Ų | 60 | 83 Ų | 83 | 32% | 0.321 | 44% | 0.442 | S | S | . | . | trans | -153.4 | 78.9 | 152.1 | -117 | -19.1 | 0 | 0 | 0 | 114 | N963 S964 | N961-N963 PolarHBondContact O-N 3.33Å; N961-N963 VanDerWaalsContact OD1-CB 3.31Å; N961-N963 WeakPolarHBondContact OD1-CB 3.44Å; N961-N963 PolarHBondContact OD1-ND2 2.87Å; N961-S964 WeakPolarHBondContact O-CB 3.21Å; N961-S964 PolarHBondContact O-N 3.12Å; N961-S964 PolarHBondContact O-OG 2.65Å | ||
| 962 | V | 51.6 | Low | 57.4 | Low | 128 Ų | 128 | 80.7 Ų | 80.7 | 78% | 0.776 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.8 | 161.2 | 176 | 0 | 0 | 0 | 0 | 110.4 | S964 L965 E966 | V962-S964 PolarHBondContact O-N 2.7Å; V962-L965 PolarHBondContact O-N 3.42Å; V962-E966 PolarHBondContact O-N 3.19Å |
| 963 | N | 58.3 | Low | 57.7 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 47% | 0.465 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.8 | -18.4 | 172.6 | -50.8 | -43.1 | 0 | 0 | 0 | 113.9 | N961 L965 E966 L967 | N961-N963 PolarHBondContact O-N 3.33Å; N961-N963 VanDerWaalsContact OD1-CB 3.31Å; N961-N963 WeakPolarHBondContact OD1-CB 3.44Å; N961-N963 PolarHBondContact OD1-ND2 2.87Å; N963-L965 VanDerWaalsContact C-N 3.28Å; N963-L965 PolarHBondContact O-N 2.94Å; N963-E966 PolarHBondContact O-N 3.03Å; N963-L967 WeakPolarHBondContact O-CB 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.5Å; N963-L967 WeakPolarHBondContact O-CG 3.42Å; N963-L967 PolarHBondContact O-N 3.1Å |
| 964 | S | 53.8 | Low | 58 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 174.1 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | Y888 N961 V962 F968 | Y888-S964 VanDerWaalsContact OH-C 3.23Å; Y888-S964 WeakPolarHBondContact OH-CB 3.49Å; Y888-S964 PolarHBondContact OH-OG 3.05Å; N961-S964 WeakPolarHBondContact O-CB 3.21Å; N961-S964 PolarHBondContact O-N 3.12Å; N961-S964 PolarHBondContact O-OG 2.65Å; V962-S964 PolarHBondContact O-N 2.7Å; S964-F968 PolarHBondContact O-N 3.35Å |
| 965 | L | 56 | Low | 58.4 | Low | 72 Ų | 72 | 86.2 Ų | 86.2 | 38% | 0.377 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -81.9 | -38.8 | 179.4 | -141.5 | 153.1 | 0 | 0 | 0 | 109.3 | Y888 V962 N963 F968 C969 | Y888-L965 HydrophobicContact CE1-CG 4.21Å; Y888-L965 WeakPolarHBondContact OH-CA 3.33Å; Y888-L965 WeakPolarHBondContact OH-CB 3.49Å; Y888-L965 WeakPolarHBondContact OH-CG 3.28Å; Y888-L965 PolarHBondContact OH-N 3.45Å; V962-L965 PolarHBondContact O-N 3.42Å; N963-L965 VanDerWaalsContact C-N 3.28Å; N963-L965 PolarHBondContact O-N 2.94Å; L965-F968 PolarHBondContact O-N 2.88Å; L965-C969 WeakPolarHBondContact O-CB 3.45Å; L965-C969 PolarHBondContact O-N 3.44Å; L965-C969 PolarHBondContact O-SG 2.86Å |
| 966 | E | 64.1 | Low | 59 | Low | 106 Ų | 106 | 85.6 Ų | 85.6 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 173.4 | -149.7 | -170.6 | 141 | 0 | 0 | 112.2 | V962 N963 C969 N970 | V962-E966 PolarHBondContact O-N 3.19Å; N963-E966 PolarHBondContact O-N 3.03Å; E966-C969 CarbonylContact O-C 3.08Å; E966-C969 PolarHBondContact O-N 3.06Å; E966-N970 WeakPolarHBondContact O-CA 3.49Å; E966-N970 WeakPolarHBondContact O-CB 3.38Å; E966-N970 PolarHBondContact O-N 3.42Å; E966-N970 PolarHBondContact O-ND2 3.45Å; E966-N970 PolarHBondContact OE1-ND2 2.87Å |
| 967 | L | 66.3 | Low | 59.6 | Low | 85 Ų | 85 | 85.1 Ų | 85.1 | 45% | 0.445 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.6 | -81.8 | 164.7 | 0 | 0 | 0 | 112.1 | N963 N970 W971 | N963-L967 WeakPolarHBondContact O-CB 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.5Å; N963-L967 WeakPolarHBondContact O-CG 3.42Å; N963-L967 PolarHBondContact O-N 3.1Å; L967-N970 PolarHBondContact O-N 3.48Å; L967-W971 WeakPolarHBondContact O-CB 3.42Å; L967-W971 PolarHBondContact O-N 3.14Å |
| 968 | F | 63.7 | Low | 60.3 | Low | 10 Ų | 10 | 80 Ų | 80 | 4% | 0.044 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.2 | -41 | 175.7 | -172 | -103.4 | 0 | 0 | 0 | 111.8 | L891 M948 I952 S964 L965 W971 L972 | L891-F968 HydrophobicContact CD2-CD1 4.24Å; L891-F968 HydrophobicContact CD2-CE1 3.62Å; L891-F968 HydrophobicContact CD2-CZ 4.35Å; M948-F968 HydrophobicContact CG-CD2 3.96Å; M948-F968 HydrophobicContact CG-CE2 4.29Å; M948-F968 HydrophobicContact SD-CB 4.45Å; M948-F968 HydrophobicContact SD-CD2 3.68Å; M948-F968 HydrophobicContact SD-CE2 4.43Å; M948-F968 HydrophobicContact SD-CG 4.48Å; I952-F968 HydrophobicContact CD1-CB 3.94Å; I952-F968 HydrophobicContact CD1-CD2 3.59Å; I952-F968 HydrophobicContact CD1-CG 4.15Å; S964-F968 PolarHBondContact O-N 3.35Å; L965-F968 PolarHBondContact O-N 2.88Å; F968-W971 HydrophobicContact CE2-CE3 4.24Å; F968-W971 HydrophobicContact CE2-CZ3 4.31Å; F968-W971 PolarHBondContact O-N 3.33Å; F968-L972 HydrophobicContact CD1-CD1 3.9Å; F968-L972 HydrophobicContact CD1-CG 4.45Å; F968-L972 HydrophobicContact CE1-CD1 3.47Å; F968-L972 VanDerWaalsContact CE1-CD1 3.47Å; F968-L972 HydrophobicContact CE1-CG 4.11Å; F968-L972 HydrophobicContact CZ-CD1 4.12Å; F968-L972 HydrophobicContact CZ-CG 4.37Å; F968-L972 WeakPolarHBondContact O-CG 3.45Å; F968-L972 PolarHBondContact O-N 2.82Å |
| 969 | C | 65.5 | Low | 61.5 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 32% | 0.324 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 172 | -77 | 0 | 0 | 0 | 0 | 112.4 | L965 E966 W971 L972 N973 | L965-C969 WeakPolarHBondContact O-CB 3.45Å; L965-C969 PolarHBondContact O-N 3.44Å; L965-C969 PolarHBondContact O-SG 2.86Å; E966-C969 CarbonylContact O-C 3.08Å; E966-C969 PolarHBondContact O-N 3.06Å; C969-W971 VanDerWaalsContact C-N 3.3Å; C969-W971 PolarHBondContact O-N 3.32Å; C969-L972 PolarHBondContact O-N 3.02Å; C969-N973 VanDerWaalsContact O-CB 3.24Å; C969-N973 WeakPolarHBondContact O-CB 3.2Å; C969-N973 PolarHBondContact O-N 2.73Å; C969-N973 PolarHBondContact O-ND2 2.84Å |
| 970 | N | 70 | Confident | 62.8 | Low | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.9 | -27.2 | 178.6 | -73.7 | -19.4 | 0 | 0 | 0 | 111.8 | E966 L967 N973 S974 | E966-N970 WeakPolarHBondContact O-CA 3.49Å; E966-N970 WeakPolarHBondContact O-CB 3.38Å; E966-N970 PolarHBondContact O-N 3.42Å; E966-N970 PolarHBondContact O-ND2 3.45Å; E966-N970 PolarHBondContact OE1-ND2 2.87Å; L967-N970 PolarHBondContact O-N 3.48Å; N970-N973 CarbonylContact O-C 3.58Å; N970-S974 WeakPolarHBondContact O-CA 3.34Å; N970-S974 VanDerWaalsContact O-CB 3.23Å; N970-S974 WeakPolarHBondContact O-CB 3.49Å; N970-S974 PolarHBondContact O-N 2.96Å |
| 971 | W | 71 | Confident | 63.8 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.7 | -45.6 | 167.1 | 179.8 | 74.1 | 0 | 0 | 0 | 112.2 | F945 M948 L967 F968 C969 N973 S974 Y977 | F945-W971 HydrophobicContact CB-CH2 3.98Å; F945-W971 HydrophobicContact CB-CZ2 4.19Å; F945-W971 AromaticContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CZ3 4.15Å; F945-W971 HydrophobicContact CG-CH2 4.42Å; M948-W971 HydrophobicContact CB-CD2 4.2Å; M948-W971 HydrophobicContact CB-CG 4.46Å; M948-W971 HydrophobicContact CE-CB 3.8Å; M948-W971 HydrophobicContact CE-CG 4.1Å; M948-W971 HydrophobicContact CG-CD2 4.01Å; M948-W971 HydrophobicContact CG-CE3 4.02Å; M948-W971 HydrophobicContact CG-CG 4.32Å; M948-W971 HydrophobicContact SD-CB 3.28Å; M948-W971 WeakPolarHBondContact SD-CB 3.3Å; M948-W971 HydrophobicContact SD-CD2 3.64Å; M948-W971 HydrophobicContact SD-CE3 3.8Å; M948-W971 HydrophobicContact SD-CG 3.44Å; L967-W971 WeakPolarHBondContact O-CB 3.42Å; L967-W971 PolarHBondContact O-N 3.14Å; F968-W971 HydrophobicContact CE2-CE3 4.24Å; F968-W971 HydrophobicContact CE2-CZ3 4.31Å; F968-W971 PolarHBondContact O-N 3.33Å; C969-W971 VanDerWaalsContact C-N 3.3Å; C969-W971 PolarHBondContact O-N 3.32Å; W971-N973 PolarHBondContact O-N 3.3Å; W971-S974 VanDerWaalsContact O-CB 3.27Å; W971-S974 WeakPolarHBondContact O-CB 3.47Å; W971-S974 PolarHBondContact O-N 2.92Å; W971-S974 PolarHBondContact O-OG 2.73Å; W971-Y977 HydrophobicContact CD2-CD2 4.36Å; W971-Y977 HydrophobicContact CE3-CD2 4.26Å; W971-Y977 AromaticContact CH2-CD2 3.54Å; W971-Y977 HydrophobicContact CH2-CD2 3.54Å; W971-Y977 AromaticContact CH2-CE2 3.69Å; W971-Y977 HydrophobicContact CH2-CE2 3.69Å; W971-Y977 AromaticContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CE2 4.27Å; W971-Y977 AromaticContact CZ3-CD2 3.86Å; W971-Y977 HydrophobicContact CZ3-CD2 3.86Å; W971-Y977 AromaticContact CZ3-CE2 3.91Å; W971-Y977 HydrophobicContact CZ3-CE2 3.91Å; W971-Y977 WeakPolarHBondContact O-CB 3.43Å |
| 972 | L | 63.3 | Low | 64.8 | Low | 50 Ų | 50 | 69.3 Ų | 69.3 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -29.9 | 173.9 | -73.3 | 176.9 | 0 | 0 | 0 | 113.1 | F968 C969 Y977 | F968-L972 HydrophobicContact CD1-CD1 3.9Å; F968-L972 HydrophobicContact CD1-CG 4.45Å; F968-L972 HydrophobicContact CE1-CD1 3.47Å; F968-L972 VanDerWaalsContact CE1-CD1 3.47Å; F968-L972 HydrophobicContact CE1-CG 4.11Å; F968-L972 HydrophobicContact CZ-CD1 4.12Å; F968-L972 HydrophobicContact CZ-CG 4.37Å; F968-L972 WeakPolarHBondContact O-CG 3.45Å; F968-L972 PolarHBondContact O-N 2.82Å; C969-L972 PolarHBondContact O-N 3.02Å; L972-Y977 HydrophobicContact CD2-CD1 4.42Å; L972-Y977 HydrophobicContact CD2-CE1 3.93Å; L972-Y977 HydrophobicContact CD2-CE2 4.08Å; L972-Y977 WeakPolarHBondContact O-CD1 3.45Å |
| 973 | N | 68.6 | Low | 65.5 | Low | 120 Ų | 120 | 67.1 Ų | 67.1 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4 | 173.7 | -64.3 | -26.2 | 0 | 0 | 0 | 112.9 | C969 N970 W971 | C969-N973 VanDerWaalsContact O-CB 3.24Å; C969-N973 WeakPolarHBondContact O-CB 3.2Å; C969-N973 PolarHBondContact O-N 2.73Å; C969-N973 PolarHBondContact O-ND2 2.84Å; N970-N973 CarbonylContact O-C 3.58Å; W971-N973 PolarHBondContact O-N 3.3Å |
| 974 | S | 69.5 | Low | 65.8 | Low | 25 Ų | 25 | 63.6 Ų | 63.6 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -69.8 | 142.8 | -174.8 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | N970 W971 S976 Y977 T978 | N970-S974 WeakPolarHBondContact O-CA 3.34Å; N970-S974 VanDerWaalsContact O-CB 3.23Å; N970-S974 WeakPolarHBondContact O-CB 3.49Å; N970-S974 PolarHBondContact O-N 2.96Å; W971-S974 VanDerWaalsContact O-CB 3.27Å; W971-S974 WeakPolarHBondContact O-CB 3.47Å; W971-S974 PolarHBondContact O-N 2.92Å; W971-S974 PolarHBondContact O-OG 2.73Å; S974-S976 PolarHBondContact O-N 3.29Å; S974-S976 VanDerWaalsContact O-N 3.13Å; S974-S976 PolarHBondContact OG-OG 3.42Å; S974-Y977 PolarHBondContact O-N 2.82Å; S974-Y977 VanDerWaalsContact O-N 3.08Å; S974-Y977 WeakPolarHBondContact OG-CB 3.27Å; S974-Y977 PolarHBondContact OG-N 3.09Å; S974-Y977 VanDerWaalsContact OG-N 3.12Å; S974-T978 PolarHBondContact O-N 2.85Å; S974-T978 PolarHBondContact O-OG1 3.27Å |
| 975 | E | 69.9 | Low | 66.3 | Low | 160 Ų | 160 | 65.4 Ų | 65.4 | 75% | 0.748 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.9 | -25.9 | 175.8 | -167.6 | 170.5 | -148.6 | 0 | 0 | 112 | T978 T979 | E975-T978 WeakPolarHBondContact CA-OG1 3.12Å; E975-T978 PolarHBondContact O-OG1 3.06Å; E975-T979 WeakPolarHBondContact O-CB 3.47Å; E975-T979 PolarHBondContact O-N 2.85Å; E975-T979 PolarHBondContact O-OG1 3.46Å |
| 976 | S | 66.4 | Low | 66.8 | Low | 73 Ų | 73 | 68.6 Ų | 68.6 | 51% | 0.51 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73.7 | -42.1 | 174 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | S974 S980 | S974-S976 PolarHBondContact O-N 3.29Å; S974-S976 VanDerWaalsContact O-N 3.13Å; S974-S976 PolarHBondContact OG-OG 3.42Å; S976-S980 WeakPolarHBondContact O-CB 3.42Å; S976-S980 PolarHBondContact O-N 3.35Å; S976-S980 PolarHBondContact O-OG 2.76Å |
| 977 | Y | 66.1 | Low | 66.6 | Low | 64 Ų | 64 | 63.9 Ų | 63.9 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.4 | -47.1 | 173.9 | 177.5 | -93.3 | 0 | 0 | 0 | 111.5 | L941 W971 L972 S974 S980 T981 | L941-Y977 HydrophobicContact CD1-CD2 3.91Å; L941-Y977 HydrophobicContact CD1-CE2 4.05Å; W971-Y977 HydrophobicContact CD2-CD2 4.36Å; W971-Y977 HydrophobicContact CE3-CD2 4.26Å; W971-Y977 AromaticContact CH2-CD2 3.54Å; W971-Y977 HydrophobicContact CH2-CD2 3.54Å; W971-Y977 AromaticContact CH2-CE2 3.69Å; W971-Y977 HydrophobicContact CH2-CE2 3.69Å; W971-Y977 AromaticContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CE2 4.27Å; W971-Y977 AromaticContact CZ3-CD2 3.86Å; W971-Y977 HydrophobicContact CZ3-CD2 3.86Å; W971-Y977 AromaticContact CZ3-CE2 3.91Å; W971-Y977 HydrophobicContact CZ3-CE2 3.91Å; W971-Y977 WeakPolarHBondContact O-CB 3.43Å; L972-Y977 HydrophobicContact CD2-CD1 4.42Å; L972-Y977 HydrophobicContact CD2-CE1 3.93Å; L972-Y977 HydrophobicContact CD2-CE2 4.08Å; L972-Y977 WeakPolarHBondContact O-CD1 3.45Å; S974-Y977 PolarHBondContact O-N 2.82Å; S974-Y977 VanDerWaalsContact O-N 3.08Å; S974-Y977 WeakPolarHBondContact OG-CB 3.27Å; S974-Y977 PolarHBondContact OG-N 3.09Å; S974-Y977 VanDerWaalsContact OG-N 3.12Å; Y977-S980 PolarHBondContact O-N 2.79Å; Y977-T981 WeakPolarHBondContact O-CB 3.28Å; Y977-T981 PolarHBondContact O-N 3.1Å; Y977-T981 PolarHBondContact O-OG1 3.14Å |
| 978 | T | 69 | Low | 66.2 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | -179.8 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | S974 E975 S980 T981 D982 | S974-T978 PolarHBondContact O-N 2.85Å; S974-T978 PolarHBondContact O-OG1 3.27Å; E975-T978 WeakPolarHBondContact CA-OG1 3.12Å; E975-T978 PolarHBondContact O-OG1 3.06Å; T978-S980 PolarHBondContact O-N 2.7Å; T978-T981 PolarHBondContact O-N 2.73Å; T978-D982 VanDerWaalsContact O-CB 3.27Å; T978-D982 WeakPolarHBondContact O-CB 3.35Å; T978-D982 PolarHBondContact O-N 2.91Å |
| 979 | T | 69.1 | Low | 66 | Low | 73 Ų | 73 | 64.7 Ų | 64.7 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.8 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | E975 T981 D982 H983 | E975-T979 WeakPolarHBondContact O-CB 3.47Å; E975-T979 PolarHBondContact O-N 2.85Å; E975-T979 PolarHBondContact O-OG1 3.46Å; T979-T981 VanDerWaalsContact C-N 3.33Å; T979-T981 PolarHBondContact O-N 3.39Å; T979-D982 PolarHBondContact O-N 2.84Å; T979-H983 WeakPolarHBondContact O-CB 3.46Å; T979-H983 PolarHBondContact O-N 3.32Å |
| 980 | S | 66.5 | Low | 65.6 | Low | 27 Ų | 27 | 67.2 Ų | 67.2 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 112 | S976 Y977 T978 L984 | S976-S980 WeakPolarHBondContact O-CB 3.42Å; S976-S980 PolarHBondContact O-N 3.35Å; S976-S980 PolarHBondContact O-OG 2.76Å; Y977-S980 PolarHBondContact O-N 2.79Å; T978-S980 PolarHBondContact O-N 2.7Å; S980-L984 WeakPolarHBondContact O-CB 3.32Å; S980-L984 PolarHBondContact O-N 3.48Å |
| 981 | T | 63.1 | Low | 64.9 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 16% | 0.16 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | Y977 T978 T979 L984 F985 | Y977-T981 WeakPolarHBondContact O-CB 3.28Å; Y977-T981 PolarHBondContact O-N 3.1Å; Y977-T981 PolarHBondContact O-OG1 3.14Å; T978-T981 PolarHBondContact O-N 2.73Å; T979-T981 VanDerWaalsContact C-N 3.33Å; T979-T981 PolarHBondContact O-N 3.39Å; T981-L984 PolarHBondContact O-N 2.98Å; T981-F985 HydrophobicContact CG2-CD2 3.88Å; T981-F985 HydrophobicContact CG2-CE2 4.11Å; T981-F985 WeakPolarHBondContact O-CB 3.3Å; T981-F985 WeakPolarHBondContact O-CD2 3.5Å; T981-F985 PolarHBondContact O-N 3.01Å |
| 982 | D | 68.1 | Low | 63.9 | Low | 105 Ų | 105 | 69.8 Ų | 69.8 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.1 | -32.2 | 174.9 | -83.6 | 1 | 0 | 0 | 0 | 112.6 | T978 T979 K986 | T978-D982 VanDerWaalsContact O-CB 3.27Å; T978-D982 WeakPolarHBondContact O-CB 3.35Å; T978-D982 PolarHBondContact O-N 2.91Å; T979-D982 PolarHBondContact O-N 2.84Å; D982-K986 VanDerWaalsContact O-CB 3.28Å; D982-K986 WeakPolarHBondContact O-CB 3.16Å; D982-K986 WeakPolarHBondContact O-CG 3.19Å; D982-K986 PolarHBondContact O-N 3.22Å |
| 983 | H | 68 | Low | 63.5 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 38% | 0.384 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.5 | -49.6 | 172.9 | -131.5 | -74.7 | 0 | 0 | 0 | 110.6 | D937 T979 F985 K986 D987 | D937-H983 IonicContact OD2-CG 3.48Å; D937-H983 IonicContact OD2-ND1 2.59Å; D937-H983 PolarHBondContact OD2-ND1 3.42Å; T979-H983 WeakPolarHBondContact O-CB 3.46Å; T979-H983 PolarHBondContact O-N 3.32Å; H983-F985 VanDerWaalsContact C-N 3.31Å; H983-F985 PolarHBondContact O-N 2.82Å; H983-K986 WeakPolarHBondContact O-CB 3.34Å; H983-K986 PolarHBondContact O-N 3.43Å; H983-K986 VanDerWaalsContact O-N 3.09Å; H983-D987 IonicContact CE1-OD2 2.92Å; H983-D987 PolarHBondContact CE1-OD2 2.94Å; H983-D987 IonicContact ND1-OD2 3.86Å; H983-D987 PolarHBondContact ND1-OD2 3.27Å; H983-D987 PolarHBondContact O-N 2.88Å |
| 984 | L | 64.7 | Low | 62.8 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.5 | -45.4 | 172.6 | -88.1 | 162.9 | 0 | 0 | 0 | 112.1 | I934 D937 A938 L941 S980 T981 L988 | I934-L984 HydrophobicContact CG2-CD2 4.02Å; D937-L984 HydrophobicContact CB-CD2 4.05Å; D937-L984 HydrophobicContact CB-CG 3.86Å; A938-L984 HydrophobicContact CB-CD2 4.06Å; L941-L984 HydrophobicContact CB-CD1 3.87Å; L941-L984 HydrophobicContact CD2-CD1 3.62Å; L941-L984 HydrophobicContact CG-CD1 4.3Å; S980-L984 WeakPolarHBondContact O-CB 3.32Å; S980-L984 PolarHBondContact O-N 3.48Å; T981-L984 PolarHBondContact O-N 2.98Å; L984-L988 WeakPolarHBondContact O-CB 3.49Å; L984-L988 WeakPolarHBondContact O-CD1 3.33Å; L984-L988 WeakPolarHBondContact O-CG 3.35Å; L984-L988 PolarHBondContact O-N 2.86Å |
| 985 | F | 62.8 | Low | 62 | Low | 63 Ų | 63 | 73 Ų | 73 | 28% | 0.276 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 175.9 | -94.6 | -78.1 | 0 | 0 | 0 | 112.9 | T981 H983 N989 S998 H1002 | T981-F985 HydrophobicContact CG2-CD2 3.88Å; T981-F985 HydrophobicContact CG2-CE2 4.11Å; T981-F985 WeakPolarHBondContact O-CB 3.3Å; T981-F985 WeakPolarHBondContact O-CD2 3.5Å; T981-F985 PolarHBondContact O-N 3.01Å; H983-F985 VanDerWaalsContact C-N 3.31Å; H983-F985 PolarHBondContact O-N 2.82Å; F985-N989 WeakPolarHBondContact O-CB 3.37Å; F985-N989 PolarHBondContact O-N 3.13Å; F985-N989 PolarHBondContact O-ND2 3.46Å; F985-N989 PolarHBondContact O-OD1 2.84Å; F985-S998 WeakPolarHBondContact CE1-OG 3.48Å; F985-H1002 HydrophobicContact CE1-CB 4.46Å; F985-H1002 HydrophobicContact CZ-CB 4.27Å |
| 986 | K | 66.7 | Low | 61.4 | Low | 140 Ų | 140 | 71.9 Ų | 71.9 | 61% | 0.609 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60 | -50.4 | 173.9 | -97.9 | 175.2 | 176.5 | 164 | 0 | 111.7 | D982 H983 N989 K990 | D982-K986 VanDerWaalsContact O-CB 3.28Å; D982-K986 WeakPolarHBondContact O-CB 3.16Å; D982-K986 WeakPolarHBondContact O-CG 3.19Å; D982-K986 PolarHBondContact O-N 3.22Å; H983-K986 WeakPolarHBondContact O-CB 3.34Å; H983-K986 PolarHBondContact O-N 3.43Å; H983-K986 VanDerWaalsContact O-N 3.09Å; K986-N989 PolarHBondContact O-N 3.19Å; K986-K990 PolarHBondContact O-N 3.48Å |
| 987 | D | 59.7 | Low | 60.7 | Low | 7 Ų | 7 | 74.7 Ų | 74.7 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -78.4 | -31.1 | -174.7 | -65.2 | -46.6 | 0 | 0 | 0 | 111.4 | I934 H983 N989 K990 | I934-D987 HydrophobicContact CD1-CB 3.99Å; I934-D987 WeakPolarHBondContact CD1-O 3.23Å; I934-D987 HydrophobicContact CG1-CB 3.48Å; I934-D987 VanDerWaalsContact CG1-CB 3.48Å; H983-D987 IonicContact CE1-OD2 2.92Å; H983-D987 PolarHBondContact CE1-OD2 2.94Å; H983-D987 IonicContact ND1-OD2 3.86Å; H983-D987 PolarHBondContact ND1-OD2 3.27Å; H983-D987 PolarHBondContact O-N 2.88Å; D987-N989 VanDerWaalsContact C-N 3.33Å; D987-N989 PolarHBondContact O-N 3.37Å; D987-K990 WeakPolarHBondContact O-CB 3.36Å; D987-K990 PolarHBondContact O-N 2.97Å; D987-K990 WeakPolarHBondContact OD1-CE 3.35Å; D987-K990 IonicContact OD1-NZ 2.57Å; D987-K990 PolarHBondContact OD1-NZ 2.87Å |
| 988 | L | 58.2 | Low | 60.2 | Low | 29 Ų | 29 | 72.6 Ų | 72.6 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 164.3 | -79.2 | 166.1 | 0 | 0 | 0 | 112.5 | L984 K990 L991 L994 | L984-L988 WeakPolarHBondContact O-CB 3.49Å; L984-L988 WeakPolarHBondContact O-CD1 3.33Å; L984-L988 WeakPolarHBondContact O-CG 3.35Å; L984-L988 PolarHBondContact O-N 2.86Å; L988-K990 PolarHBondContact O-N 2.67Å; L988-L991 PolarHBondContact O-N 2.83Å; L988-L991 VanDerWaalsContact O-N 3.15Å; L988-L994 HydrophobicContact CD2-CD1 3.69Å |
| 989 | N | 59.5 | Low | 59.6 | Low | 83 Ų | 83 | 75.5 Ų | 75.5 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -9.4 | 177.2 | -72.2 | -10.9 | 0 | 0 | 0 | 113.4 | F985 K986 D987 | F985-N989 WeakPolarHBondContact O-CB 3.37Å; F985-N989 PolarHBondContact O-N 3.13Å; F985-N989 PolarHBondContact O-ND2 3.46Å; F985-N989 PolarHBondContact O-OD1 2.84Å; K986-N989 PolarHBondContact O-N 3.19Å; D987-N989 VanDerWaalsContact C-N 3.33Å; D987-N989 PolarHBondContact O-N 3.37Å |
| 990 | K | 58.2 | Low | 59 | Low | 100 Ų | 100 | 75.4 Ų | 75.4 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -23.2 | 169 | -61.5 | -180 | -168.6 | 162.1 | 0 | 112.9 | E930 K986 D987 L988 D992 | E930-K990 WeakPolarHBondContact OE1-CD 3.49Å; E930-K990 WeakPolarHBondContact OE1-CE 3.34Å; E930-K990 IonicContact OE1-NZ 3.89Å; E930-K990 PolarHBondContact OE1-NZ 3.25Å; E930-K990 VanDerWaalsContact OE2-CD 3.28Å; E930-K990 WeakPolarHBondContact OE2-CD 3.46Å; K986-K990 PolarHBondContact O-N 3.48Å; D987-K990 WeakPolarHBondContact O-CB 3.36Å; D987-K990 PolarHBondContact O-N 2.97Å; D987-K990 WeakPolarHBondContact OD1-CE 3.35Å; D987-K990 IonicContact OD1-NZ 2.57Å; D987-K990 PolarHBondContact OD1-NZ 2.87Å; L988-K990 PolarHBondContact O-N 2.67Å; K990-D992 VanDerWaalsContact C-N 3.28Å; K990-D992 PolarHBondContact O-N 3.38Å |
| 991 | L | 54.3 | Low | 58.3 | Low | 21 Ų | 21 | 76.6 Ų | 76.6 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -75.7 | 86.1 | 164.3 | -79.3 | 93.8 | 0 | 0 | 0 | 108.9 | I934 L988 I993 L994 | I934-L991 HydrophobicContact CD1-CD1 3.29Å; L988-L991 PolarHBondContact O-N 2.83Å; L988-L991 VanDerWaalsContact O-N 3.15Å; L991-I993 PolarHBondContact O-N 2.7Å; L991-L994 HydrophobicContact CB-CD1 4.07Å; L991-L994 HydrophobicContact CB-CG 4.36Å; L991-L994 HydrophobicContact CD2-CD1 4.23Å; L991-L994 PolarHBondContact O-N 2.86Å |
| 992 | D | 51.1 | Low | 57.8 | Low | 149 Ų | 149 | 80 Ų | 80 | 80% | 0.797 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | -18.2 | 175 | -84.6 | -32 | 0 | 0 | 0 | 114.6 | K990 | K990-D992 VanDerWaalsContact C-N 3.28Å; K990-D992 PolarHBondContact O-N 3.38Å |
| 993 | I | 54.6 | Low | 57.5 | Low | 166 Ų | 166 | 82.1 Ų | 82.1 | 85% | 0.851 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -21 | 179.7 | -57.3 | 177.2 | 0 | 0 | 0 | 112.4 | L991 | L991-I993 PolarHBondContact O-N 2.7Š|
| 994 | L | 52.7 | Low | 57.1 | Low | 34 Ų | 34 | 84 Ų | 84 | 18% | 0.178 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -17.7 | -174.5 | -70.6 | 173.8 | 0 | 0 | 0 | 114.7 | L988 L991 I996 R997 S998 | L988-L994 HydrophobicContact CD2-CD1 3.69Å; L991-L994 HydrophobicContact CB-CD1 4.07Å; L991-L994 HydrophobicContact CB-CG 4.36Å; L991-L994 HydrophobicContact CD2-CD1 4.23Å; L991-L994 PolarHBondContact O-N 2.86Å; L994-I996 PolarHBondContact O-N 3.03Å; L994-R997 PolarHBondContact O-N 3.17Å; L994-R997 VanDerWaalsContact O-N 3.08Å; L994-S998 WeakPolarHBondContact O-CB 3.3Å; L994-S998 PolarHBondContact O-N 3.36Å |
| 995 | D | 53.3 | Low | 56.2 | Low | 63 Ų | 63 | 84.8 Ų | 84.8 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -45.8 | -56.1 | -168.9 | -179 | 49.8 | 0 | 0 | 0 | 114.5 | R997 S998 Q999 | D995-R997 PolarHBondContact O-N 3.5Å; D995-S998 WeakPolarHBondContact O-CB 3.44Å; D995-S998 PolarHBondContact O-N 2.82Å; D995-Q999 VanDerWaalsContact CG-NE2 3.26Å; D995-Q999 WeakPolarHBondContact O-CG 3.23Å; D995-Q999 PolarHBondContact O-N 3.37Å; D995-Q999 PolarHBondContact OD1-NE2 3.5Å; D995-Q999 PolarHBondContact OD2-NE2 3Å; D995-Q999 VanDerWaalsContact OD2-NE2 3.11Å |
| 996 | I | 57.5 | Low | 55.9 | Low | 135 Ų | 135 | 85.6 Ų | 85.6 | 69% | 0.692 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | -176.6 | -64.6 | 168.9 | 0 | 0 | 0 | 112.3 | L994 T1000 | L994-I996 PolarHBondContact O-N 3.03Å; I996-T1000 WeakPolarHBondContact O-CB 3.22Å; I996-T1000 PolarHBondContact O-N 3.05Å; I996-T1000 PolarHBondContact O-OG1 2.95Å |
| 997 | R | 52.4 | Low | 55.7 | Low | 133 Ų | 133 | 83.2 Ų | 83.2 | 50% | 0.502 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74 | -38 | 176.8 | -73.3 | -178.5 | 76.4 | -154.5 | -3.1 | 110.6 | E905 L994 D995 T1000 L1001 | E905-R997 VanDerWaalsContact CD-NH2 3.28Å; E905-R997 IonicContact OE1-CZ 2.7Å; E905-R997 IonicContact OE1-NH1 3.92Å; E905-R997 IonicContact OE1-NH2 3.77Å; E905-R997 PolarHBondContact OE1-NH2 2.95Å; E905-R997 IonicContact OE2-CZ 2.96Å; E905-R997 IonicContact OE2-NH1 2.66Å; E905-R997 PolarHBondContact OE2-NH1 3.41Å; E905-R997 IonicContact OE2-NH2 3.62Å; E905-R997 PolarHBondContact OE2-NH2 3Å; L994-R997 PolarHBondContact O-N 3.17Å; L994-R997 VanDerWaalsContact O-N 3.08Å; D995-R997 PolarHBondContact O-N 3.5Å; R997-T1000 PolarHBondContact O-N 3.2Å; R997-L1001 VanDerWaalsContact O-CB 3.28Å; R997-L1001 WeakPolarHBondContact O-CB 3.4Å; R997-L1001 PolarHBondContact O-N 2.95Å |
| 998 | S | 54.5 | Low | 55.4 | Low | 20 Ų | 20 | 89 Ų | 89 | 14% | 0.14 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.9 | -52.4 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | F985 L994 D995 T1000 L1001 H1002 | F985-S998 WeakPolarHBondContact CE1-OG 3.48Å; L994-S998 WeakPolarHBondContact O-CB 3.3Å; L994-S998 PolarHBondContact O-N 3.36Å; D995-S998 WeakPolarHBondContact O-CB 3.44Å; D995-S998 PolarHBondContact O-N 2.82Å; S998-T1000 VanDerWaalsContact C-N 3.35Å; S998-T1000 PolarHBondContact O-N 3.37Å; S998-L1001 PolarHBondContact O-N 3.34Å; S998-H1002 PolarHBondContact O-N 2.88Å |
| 999 | Q | 55.9 | Low | 55 | Low | 116 Ų | 116 | 90.2 Ų | 90.2 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 178.1 | -67.7 | -176.1 | 27.4 | 0 | 0 | 112.4 | D995 H1002 K1003 | D995-Q999 VanDerWaalsContact CG-NE2 3.26Å; D995-Q999 WeakPolarHBondContact O-CG 3.23Å; D995-Q999 PolarHBondContact O-N 3.37Å; D995-Q999 PolarHBondContact OD1-NE2 3.5Å; D995-Q999 PolarHBondContact OD2-NE2 3Å; D995-Q999 VanDerWaalsContact OD2-NE2 3.11Å; Q999-H1002 PolarHBondContact O-N 2.76Å; Q999-K1003 WeakPolarHBondContact O-CB 3.5Å; Q999-K1003 PolarHBondContact O-N 3.3Å |
| 1000 | T | 56.2 | Low | 54.9 | Low | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | I996 R997 S998 H1002 K1003 E1004 | I996-T1000 WeakPolarHBondContact O-CB 3.22Å; I996-T1000 PolarHBondContact O-N 3.05Å; I996-T1000 PolarHBondContact O-OG1 2.95Å; R997-T1000 PolarHBondContact O-N 3.2Å; S998-T1000 VanDerWaalsContact C-N 3.35Å; S998-T1000 PolarHBondContact O-N 3.37Å; T1000-H1002 PolarHBondContact O-N 3.38Å; T1000-K1003 PolarHBondContact O-N 2.78Å; T1000-E1004 HydrophobicContact CG2-CG 4.46Å; T1000-E1004 PolarHBondContact O-N 3.29Å |
| 1001 | L | 52.1 | Low | 54.9 | Low | 52 Ų | 52 | 93.9 Ų | 93.9 | 27% | 0.272 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | -179.7 | -158.4 | 91.8 | 0 | 0 | 0 | 112.6 | W901 R997 S998 C1005 | W901-L1001 HydrophobicContact CE3-CD1 4.34Å; W901-L1001 HydrophobicContact CE3-CD2 3.91Å; W901-L1001 HydrophobicContact CH2-CD1 3.59Å; W901-L1001 HydrophobicContact CH2-CD2 3.9Å; W901-L1001 HydrophobicContact CH2-CG 4.3Å; W901-L1001 HydrophobicContact CZ2-CD1 3.96Å; W901-L1001 HydrophobicContact CZ3-CD1 3.82Å; W901-L1001 HydrophobicContact CZ3-CD2 3.33Å; W901-L1001 HydrophobicContact CZ3-CG 4.18Å; R997-L1001 VanDerWaalsContact O-CB 3.28Å; R997-L1001 WeakPolarHBondContact O-CB 3.4Å; R997-L1001 PolarHBondContact O-N 2.95Å; S998-L1001 PolarHBondContact O-N 3.34Å; L1001-C1005 WeakPolarHBondContact O-CA 3.49Å; L1001-C1005 WeakPolarHBondContact O-CB 3.42Å; L1001-C1005 PolarHBondContact O-N 3.13Å; L1001-C1005 PolarHBondContact O-SG 2.81Å |
| 1002 | H | 52.4 | Low | 55 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.3 | -175 | 53.3 | 0 | 0 | 0 | 111.1 | F985 S998 Q999 T1000 C1005 I1006 | F985-H1002 HydrophobicContact CE1-CB 4.46Å; F985-H1002 HydrophobicContact CZ-CB 4.27Å; S998-H1002 PolarHBondContact O-N 2.88Å; Q999-H1002 PolarHBondContact O-N 2.76Å; T1000-H1002 PolarHBondContact O-N 3.38Å; H1002-C1005 PolarHBondContact O-N 3.41Å; H1002-I1006 VanDerWaalsContact CE1-CD1 3.5Å; H1002-I1006 WeakPolarHBondContact CE1-CD1 3.36Å; H1002-I1006 PolarHBondContact O-N 2.8Å |
| 1003 | K | 63 | Low | 54.8 | Low | 151 Ų | 151 | 92 Ų | 92 | 66% | 0.657 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.9 | -43.7 | 178.9 | -159.6 | 170.5 | -170.9 | 172.9 | 0 | 112.1 | Q999 T1000 N1007 | Q999-K1003 WeakPolarHBondContact O-CB 3.5Å; Q999-K1003 PolarHBondContact O-N 3.3Å; T1000-K1003 PolarHBondContact O-N 2.78Å; K1003-N1007 WeakPolarHBondContact O-CB 3.32Å; K1003-N1007 PolarHBondContact O-N 2.96Å; K1003-N1007 PolarHBondContact O-ND2 3.24Å |
| 1004 | E | 59.2 | Low | 55 | Low | 121 Ų | 121 | 87.8 Ų | 87.8 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.9 | -36.8 | 171.3 | -72.1 | -170.8 | 135.1 | 0 | 0 | 112 | T1000 N1007 H1008 | T1000-E1004 HydrophobicContact CG2-CG 4.46Å; T1000-E1004 PolarHBondContact O-N 3.29Å; E1004-N1007 PolarHBondContact O-N 3.37Å; E1004-H1008 WeakPolarHBondContact O-CA 3.31Å; E1004-H1008 WeakPolarHBondContact O-CB 3.32Å; E1004-H1008 PolarHBondContact O-N 3.4Å |
| 1005 | C | 46.3 | Very low | 55 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64 | -47.8 | 179.2 | -83.4 | 0 | 0 | 0 | 0 | 112.1 | K898 L1001 H1002 F1009 | K898-C1005 VanDerWaalsContact CE-SG 3.53Å; K898-C1005 PolarHBondContact NZ-SG 3.43Å; L1001-C1005 WeakPolarHBondContact O-CA 3.49Å; L1001-C1005 WeakPolarHBondContact O-CB 3.42Å; L1001-C1005 PolarHBondContact O-N 3.13Å; L1001-C1005 PolarHBondContact O-SG 2.81Å; H1002-C1005 PolarHBondContact O-N 3.41Å; C1005-F1009 WeakPolarHBondContact O-CB 3.44Å; C1005-F1009 PolarHBondContact O-N 3.18Å; C1005-F1009 VanDerWaalsContact O-N 3.09Å |
| 1006 | I | 57 | Low | 54.8 | Low | 80 Ų | 80 | 92.7 Ų | 92.7 | 41% | 0.41 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 176.5 | -70.2 | 177.9 | 0 | 0 | 0 | 110.3 | H1002 H1008 F1009 K1010 | H1002-I1006 VanDerWaalsContact CE1-CD1 3.5Å; H1002-I1006 WeakPolarHBondContact CE1-CD1 3.36Å; H1002-I1006 PolarHBondContact O-N 2.8Å; I1006-H1008 PolarHBondContact O-N 2.86Å; I1006-F1009 PolarHBondContact O-N 3.02Å; I1006-K1010 WeakPolarHBondContact O-CB 3.06Å; I1006-K1010 PolarHBondContact O-N 3.46Å |
| 1007 | N | 60.7 | Low | 54.3 | Low | 91 Ų | 91 | 92.6 Ų | 92.6 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | -179.9 | -77.5 | -12.6 | 0 | 0 | 0 | 111.4 | K1003 E1004 K1010 H1011 | K1003-N1007 WeakPolarHBondContact O-CB 3.32Å; K1003-N1007 PolarHBondContact O-N 2.96Å; K1003-N1007 PolarHBondContact O-ND2 3.24Å; E1004-N1007 PolarHBondContact O-N 3.37Å; N1007-K1010 PolarHBondContact O-N 3.43Å; N1007-H1011 VanDerWaalsContact O-CB 3.27Å; N1007-H1011 WeakPolarHBondContact O-CB 3.18Å; N1007-H1011 PolarHBondContact O-N 2.92Å |
| 1008 | H | 54.8 | Low | 54.5 | Low | 128 Ų | 128 | 93 Ų | 93 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -74.3 | -26.6 | -178.6 | -157.2 | -42.1 | 0 | 0 | 0 | 112.6 | E1004 I1006 S1012 | E1004-H1008 WeakPolarHBondContact O-CA 3.31Å; E1004-H1008 WeakPolarHBondContact O-CB 3.32Å; E1004-H1008 PolarHBondContact O-N 3.4Å; I1006-H1008 PolarHBondContact O-N 2.86Å; H1008-S1012 VanDerWaalsContact O-CB 3.27Å; H1008-S1012 WeakPolarHBondContact O-CB 3.33Å; H1008-S1012 PolarHBondContact O-N 2.83Å |
| 1009 | F | 50.2 | Low | 54.5 | Low | 54 Ų | 54 | 96.2 Ų | 96.2 | 24% | 0.237 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.4 | -49.8 | 169.7 | -140.7 | -90.3 | 0 | 0 | 0 | 110.5 | L891 L894 C1005 I1006 H1011 S1012 I1013 | L891-F1009 HydrophobicContact CD2-CE1 4.05Å; L891-F1009 HydrophobicContact CD2-CZ 3.71Å; L891-F1009 HydrophobicContact CG-CE1 4.28Å; L891-F1009 HydrophobicContact CG-CZ 3.75Å; L894-F1009 HydrophobicContact CD2-CD2 3.61Å; L894-F1009 HydrophobicContact CD2-CE2 3.75Å; L894-F1009 HydrophobicContact CG-CE2 4.45Å; C1005-F1009 WeakPolarHBondContact O-CB 3.44Å; C1005-F1009 PolarHBondContact O-N 3.18Å; C1005-F1009 VanDerWaalsContact O-N 3.09Å; I1006-F1009 PolarHBondContact O-N 3.02Å; F1009-H1011 PolarHBondContact O-N 3.16Å; F1009-S1012 PolarHBondContact O-N 3.24Å; F1009-I1013 HydrophobicContact CD1-CD1 3.84Å; F1009-I1013 HydrophobicContact CE1-CD1 4.06Å; F1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; F1009-I1013 PolarHBondContact O-N 3.5Å |
| 1010 | K | 57.1 | Low | 54.2 | Low | 143 Ų | 143 | 96.2 Ų | 96.2 | 62% | 0.622 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59 | -45.4 | 173.1 | -80.1 | -169.9 | 170.9 | -174.6 | 0 | 111.6 | I1006 N1007 S1012 I1013 V1014 | I1006-K1010 WeakPolarHBondContact O-CB 3.06Å; I1006-K1010 PolarHBondContact O-N 3.46Å; N1007-K1010 PolarHBondContact O-N 3.43Å; K1010-S1012 PolarHBondContact O-N 3.49Å; K1010-I1013 PolarHBondContact O-N 2.85Å; K1010-V1014 WeakPolarHBondContact O-CB 3.44Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.38Å; K1010-V1014 PolarHBondContact O-N 2.79Å |
| 1011 | H | 57.1 | Low | 54.2 | Low | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 179.4 | -121.9 | -65.4 | 0 | 0 | 0 | 112 | N1007 F1009 H1015 | N1007-H1011 VanDerWaalsContact O-CB 3.27Å; N1007-H1011 WeakPolarHBondContact O-CB 3.18Å; N1007-H1011 PolarHBondContact O-N 2.92Å; F1009-H1011 PolarHBondContact O-N 3.16Å; H1011-H1015 WeakPolarHBondContact O-CA 3.47Å; H1011-H1015 WeakPolarHBondContact O-CB 3.35Å; H1011-H1015 PolarHBondContact O-N 2.57Å |
| 1012 | S | 56.2 | Low | 54.5 | Low | 58 Ų | 58 | 97.7 Ų | 97.7 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 179.2 | -160 | 0 | 0 | 0 | 0 | 112.2 | H1008 F1009 K1010 | H1008-S1012 VanDerWaalsContact O-CB 3.27Å; H1008-S1012 WeakPolarHBondContact O-CB 3.33Å; H1008-S1012 PolarHBondContact O-N 2.83Å; F1009-S1012 PolarHBondContact O-N 3.24Å; K1010-S1012 PolarHBondContact O-N 3.49Å |
| 1013 | I | 48 | Very low | 54.8 | Low | 72 Ų | 72 | 99.2 Ų | 99.2 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.8 | -49.2 | 175.3 | -64.6 | 169.8 | 0 | 0 | 0 | 110.1 | F1009 K1010 H1015 H1017 | F1009-I1013 HydrophobicContact CD1-CD1 3.84Å; F1009-I1013 HydrophobicContact CE1-CD1 4.06Å; F1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; F1009-I1013 PolarHBondContact O-N 3.5Å; K1010-I1013 PolarHBondContact O-N 2.85Å; I1013-H1015 PolarHBondContact O-N 2.91Å; I1013-H1017 PolarHBondContact O-CD2 3.26Å; I1013-H1017 PolarHBondContact O-N 3.39Å |
| 1014 | V | 58.8 | Low | 54.5 | Low | 78 Ų | 78 | 97.5 Ų | 97.5 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | -179.5 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | K1010 R1018 | K1010-V1014 WeakPolarHBondContact O-CB 3.44Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.38Å; K1010-V1014 PolarHBondContact O-N 2.79Å; V1014-R1018 HydrophobicContact CG1-CB 4.42Å; V1014-R1018 WeakPolarHBondContact O-CA 3.37Å; V1014-R1018 WeakPolarHBondContact O-CB 3.49Å; V1014-R1018 PolarHBondContact O-N 2.81Å |
| 1015 | H | 52.8 | Low | 55.1 | Low | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.458 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.5 | -31.9 | -177.4 | -167 | -59.3 | 0 | 0 | 0 | 112.4 | H1011 I1013 L1019 | H1011-H1015 WeakPolarHBondContact O-CA 3.47Å; H1011-H1015 WeakPolarHBondContact O-CB 3.35Å; H1011-H1015 PolarHBondContact O-N 2.57Å; I1013-H1015 PolarHBondContact O-N 2.91Å; H1015-L1019 WeakPolarHBondContact O-CG 3.33Å; H1015-L1019 PolarHBondContact O-N 2.79Å |
| 1016 | N | 47.9 | Very low | 56.4 | Low | 100 Ų | 100 | 100.4 Ų | 100.4 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.3 | -47.7 | 173.5 | -81.1 | 10.5 | 0 | 0 | 0 | 111.3 | R1018 L1019 | N1016-R1018 PolarHBondContact O-N 3.07Å; N1016-L1019 PolarHBondContact O-N 3.43Å |
| 1017 | H | 48.1 | Very low | 56.8 | Low | 133 Ų | 133 | 102.4 Ų | 102.4 | 62% | 0.616 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -46.4 | 172.9 | -78 | -69.7 | 0 | 0 | 0 | 111.9 | I1013 L1019 N1020 T1021 | I1013-H1017 PolarHBondContact O-CD2 3.26Å; I1013-H1017 PolarHBondContact O-N 3.39Å; H1017-L1019 VanDerWaalsContact C-N 3.33Å; H1017-L1019 PolarHBondContact O-N 2.83Å; H1017-N1020 PolarHBondContact O-N 3.14Å; H1017-T1021 PolarHBondContact O-N 3.46Å; H1017-T1021 PolarHBondContact O-OG1 2.94Å |
| 1018 | R | 55.6 | Low | 57.2 | Low | 142 Ų | 142 | 103.2 Ų | 103.2 | 54% | 0.536 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -20.1 | -175.1 | -174.4 | 172.2 | 178.2 | -169.7 | 1.3 | 114 | V1014 N1016 N1022 | V1014-R1018 HydrophobicContact CG1-CB 4.42Å; V1014-R1018 WeakPolarHBondContact O-CA 3.37Å; V1014-R1018 WeakPolarHBondContact O-CB 3.49Å; V1014-R1018 PolarHBondContact O-N 2.81Å; N1016-R1018 PolarHBondContact O-N 3.07Å; R1018-N1022 VanDerWaalsContact CG-OD1 3.26Å; R1018-N1022 WeakPolarHBondContact CG-OD1 3.45Å; R1018-N1022 PolarHBondContact NE-OD1 3.41Å; R1018-N1022 VanDerWaalsContact NE-OD1 3.15Å; R1018-N1022 WeakPolarHBondContact O-CB 3.48Å; R1018-N1022 PolarHBondContact O-N 3.49Å; R1018-N1022 PolarHBondContact O-ND2 3.01Å; R1018-N1022 PolarHBondContact O-OD1 3.02Å |
| 1019 | L | 54.2 | Low | 58.1 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -55.8 | 168.9 | -83.7 | 168.3 | 0 | 0 | 0 | 109.9 | H1015 N1016 H1017 T1021 N1022 E1023 | H1015-L1019 WeakPolarHBondContact O-CG 3.33Å; H1015-L1019 PolarHBondContact O-N 2.79Å; N1016-L1019 PolarHBondContact O-N 3.43Å; H1017-L1019 VanDerWaalsContact C-N 3.33Å; H1017-L1019 PolarHBondContact O-N 2.83Å; L1019-T1021 VanDerWaalsContact C-N 3.32Å; L1019-T1021 PolarHBondContact O-N 3.28Å; L1019-N1022 PolarHBondContact O-N 3.38Å; L1019-E1023 PolarHBondContact O-N 3.45Å |
| 1020 | N | 51.5 | Low | 59.1 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 62% | 0.62 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.2 | -40.7 | 175 | -72.8 | 16.8 | 0 | 0 | 0 | 112.1 | H1017 L1024 | H1017-N1020 PolarHBondContact O-N 3.14Å; N1020-L1024 WeakPolarHBondContact O-CG 3.44Å; N1020-L1024 PolarHBondContact O-N 2.81Å; N1020-L1024 VanDerWaalsContact O-N 3.15Å |
| 1021 | T | 54.4 | Low | 59.5 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 178 | -24.4 | 0 | 0 | 0 | 0 | 112.5 | H1017 L1019 H1025 | H1017-T1021 PolarHBondContact O-N 3.46Å; H1017-T1021 PolarHBondContact O-OG1 2.94Å; L1019-T1021 VanDerWaalsContact C-N 3.32Å; L1019-T1021 PolarHBondContact O-N 3.28Å; T1021-H1025 WeakPolarHBondContact O-CB 3.41Å; T1021-H1025 PolarHBondContact O-N 2.89Å |
| 1022 | N | 58.4 | Low | 60.3 | Low | 73 Ų | 73 | 100.7 Ų | 100.7 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 179 | -75.7 | -11.4 | 0 | 0 | 0 | 111.1 | R1018 L1019 H1025 V1026 | R1018-N1022 VanDerWaalsContact CG-OD1 3.26Å; R1018-N1022 WeakPolarHBondContact CG-OD1 3.45Å; R1018-N1022 PolarHBondContact NE-OD1 3.41Å; R1018-N1022 VanDerWaalsContact NE-OD1 3.15Å; R1018-N1022 WeakPolarHBondContact O-CB 3.48Å; R1018-N1022 PolarHBondContact O-N 3.49Å; R1018-N1022 PolarHBondContact O-ND2 3.01Å; R1018-N1022 PolarHBondContact O-OD1 3.02Å; L1019-N1022 PolarHBondContact O-N 3.38Å; N1022-H1025 PolarHBondContact O-N 3.47Å; N1022-V1026 WeakPolarHBondContact O-CG2 3.41Å; N1022-V1026 PolarHBondContact O-N 3.4Å |
| 1023 | E | 60 | Low | 61.2 | Low | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -43.6 | -178.5 | -168.7 | 146.6 | -148.8 | 0 | 0 | 111.3 | L1019 H1025 V1026 Q1027 | L1019-E1023 PolarHBondContact O-N 3.45Å; E1023-H1025 VanDerWaalsContact C-N 3.32Å; E1023-H1025 PolarHBondContact O-N 3.34Å; E1023-V1026 PolarHBondContact O-N 3.03Å; E1023-Q1027 WeakPolarHBondContact O-CG 3.22Å; E1023-Q1027 PolarHBondContact O-N 3.26Å |
| 1024 | L | 56.7 | Low | 62.5 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 167.7 | -72.2 | 170 | 0 | 0 | 0 | 112.2 | N1020 Q1027 L1028 | N1020-L1024 WeakPolarHBondContact O-CG 3.44Å; N1020-L1024 PolarHBondContact O-N 2.81Å; N1020-L1024 VanDerWaalsContact O-N 3.15Å; L1024-Q1027 PolarHBondContact O-N 2.98Å; L1024-L1028 VanDerWaalsContact O-CB 3.3Å; L1024-L1028 WeakPolarHBondContact O-CB 3.25Å; L1024-L1028 PolarHBondContact O-N 2.9Å |
| 1025 | H | 70.4 | Confident | 62.8 | Low | 108 Ų | 108 | 104.9 Ų | 104.9 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 177.9 | -140.4 | 71.9 | 0 | 0 | 0 | 112.6 | T1021 N1022 E1023 L1028 D1029 | T1021-H1025 WeakPolarHBondContact O-CB 3.41Å; T1021-H1025 PolarHBondContact O-N 2.89Å; N1022-H1025 PolarHBondContact O-N 3.47Å; E1023-H1025 VanDerWaalsContact C-N 3.32Å; E1023-H1025 PolarHBondContact O-N 3.34Å; H1025-L1028 PolarHBondContact O-N 2.82Å; H1025-D1029 WeakPolarHBondContact O-CB 3.37Å; H1025-D1029 PolarHBondContact O-N 2.78Å |
| 1026 | V | 75.3 | Confident | 63.9 | Low | 104 Ų | 104 | 104 Ų | 104 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.2 | -39.2 | 175 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | N1022 E1023 S1030 | N1022-V1026 WeakPolarHBondContact O-CG2 3.41Å; N1022-V1026 PolarHBondContact O-N 3.4Å; E1023-V1026 PolarHBondContact O-N 3.03Å; V1026-S1030 VanDerWaalsContact O-CB 3.3Å; V1026-S1030 WeakPolarHBondContact O-CB 3.23Å; V1026-S1030 PolarHBondContact O-N 2.75Å |
| 1027 | Q | 65.3 | Low | 65.1 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 171.9 | -69.1 | 179 | 4.7 | 0 | 0 | 111.4 | E1023 L1024 S1030 L1031 | E1023-Q1027 WeakPolarHBondContact O-CG 3.22Å; E1023-Q1027 PolarHBondContact O-N 3.26Å; L1024-Q1027 PolarHBondContact O-N 2.98Å; Q1027-S1030 WeakPolarHBondContact O-CB 3.46Å; Q1027-S1030 PolarHBondContact O-N 3.31Å; Q1027-L1031 PolarHBondContact O-N 2.87Å |
| 1028 | L | 69.3 | Low | 66 | Low | 108 Ų | 108 | 102.2 Ų | 102.2 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | 177.9 | -163.7 | 76.3 | 0 | 0 | 0 | 112.3 | L1024 H1025 S1030 L1031 K1032 | L1024-L1028 VanDerWaalsContact O-CB 3.3Å; L1024-L1028 WeakPolarHBondContact O-CB 3.25Å; L1024-L1028 PolarHBondContact O-N 2.9Å; H1025-L1028 PolarHBondContact O-N 2.82Å; L1028-S1030 VanDerWaalsContact C-N 3.31Å; L1028-S1030 PolarHBondContact O-N 3.42Å; L1028-L1031 PolarHBondContact O-N 2.79Å; L1028-K1032 WeakPolarHBondContact O-CB 3.42Å; L1028-K1032 PolarHBondContact O-N 3.41Å |
| 1029 | D | 73.2 | Confident | 66.9 | Low | 65 Ų | 65 | 99.7 Ų | 99.7 | 35% | 0.348 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -31.5 | 174 | -90.3 | -22.5 | 0 | 0 | 0 | 111.7 | H1025 N1033 | H1025-D1029 WeakPolarHBondContact O-CB 3.37Å; H1025-D1029 PolarHBondContact O-N 2.78Å; D1029-N1033 VanDerWaalsContact O-CB 3.27Å; D1029-N1033 WeakPolarHBondContact O-CB 3.27Å; D1029-N1033 PolarHBondContact O-N 3.05Å; D1029-N1033 PolarHBondContact O-ND2 3.49Å |
| 1030 | S | 71.6 | Confident | 67.9 | Low | 83 Ų | 83 | 99 Ų | 99 | 58% | 0.58 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 171.9 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | V1026 Q1027 L1028 N1033 H1034 | V1026-S1030 VanDerWaalsContact O-CB 3.3Å; V1026-S1030 WeakPolarHBondContact O-CB 3.23Å; V1026-S1030 PolarHBondContact O-N 2.75Å; Q1027-S1030 WeakPolarHBondContact O-CB 3.46Å; Q1027-S1030 PolarHBondContact O-N 3.31Å; L1028-S1030 VanDerWaalsContact C-N 3.31Å; L1028-S1030 PolarHBondContact O-N 3.42Å; S1030-N1033 PolarHBondContact O-N 2.72Å; S1030-H1034 PolarHBondContact O-N 2.91Å |
| 1031 | L | 63.7 | Low | 68.9 | Low | 121 Ų | 121 | 98.6 Ų | 98.6 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -47 | 175.3 | -127.8 | 85.7 | 0 | 0 | 0 | 111.2 | Q1027 L1028 N1033 H1034 C1035 | Q1027-L1031 PolarHBondContact O-N 2.87Å; L1028-L1031 PolarHBondContact O-N 2.79Å; L1031-N1033 VanDerWaalsContact C-N 3.35Å; L1031-N1033 PolarHBondContact O-N 2.9Å; L1031-H1034 WeakPolarHBondContact O-CA 3.48Å; L1031-H1034 WeakPolarHBondContact O-CB 3.26Å; L1031-H1034 PolarHBondContact O-N 3.25Å; L1031-C1035 PolarHBondContact O-N 2.78Å; L1031-C1035 PolarHBondContact O-SG 2.82Å; L1031-C1035 VanDerWaalsContact O-SG 3.4Å |
| 1032 | K | 74.7 | Confident | 69.4 | Low | 122 Ų | 122 | 99.2 Ų | 99.2 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 179.4 | -174.6 | 177.1 | -177.9 | 179.4 | 0 | 112.4 | L1028 C1035 N1036 | L1028-K1032 WeakPolarHBondContact O-CB 3.42Å; L1028-K1032 PolarHBondContact O-N 3.41Å; K1032-C1035 PolarHBondContact O-N 2.99Å; K1032-N1036 WeakPolarHBondContact O-CB 3.29Å; K1032-N1036 PolarHBondContact O-N 2.63Å; K1032-N1036 PolarHBondContact O-ND2 2.67Å; K1032-N1036 VanDerWaalsContact O-ND2 3.16Å |
| 1033 | N | 76.1 | Confident | 70 | Confident | 101 Ų | 101 | 99.8 Ų | 99.8 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 172.8 | -75 | -45.6 | 0 | 0 | 0 | 111.9 | D1029 S1030 L1031 N1036 E1037 | D1029-N1033 VanDerWaalsContact O-CB 3.27Å; D1029-N1033 WeakPolarHBondContact O-CB 3.27Å; D1029-N1033 PolarHBondContact O-N 3.05Å; D1029-N1033 PolarHBondContact O-ND2 3.49Å; S1030-N1033 PolarHBondContact O-N 2.72Å; L1031-N1033 VanDerWaalsContact C-N 3.35Å; L1031-N1033 PolarHBondContact O-N 2.9Å; N1033-N1036 PolarHBondContact O-N 2.76Å; N1033-E1037 WeakPolarHBondContact O-CB 3.45Å; N1033-E1037 PolarHBondContact O-N 2.78Å |
| 1034 | H | 74.4 | Confident | 70.6 | Confident | 121 Ų | 121 | 98.4 Ų | 98.4 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -42.2 | 173.9 | -167.2 | 58.4 | 0 | 0 | 0 | 112.5 | S1030 L1031 E1037 L1038 | S1030-H1034 PolarHBondContact O-N 2.91Å; L1031-H1034 WeakPolarHBondContact O-CA 3.48Å; L1031-H1034 WeakPolarHBondContact O-CB 3.26Å; L1031-H1034 PolarHBondContact O-N 3.25Å; H1034-E1037 PolarHBondContact O-N 3.03Å; H1034-L1038 WeakPolarHBondContact O-CG 3.32Å; H1034-L1038 PolarHBondContact O-N 2.97Å |
| 1035 | C | 64.3 | Low | 70.7 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 49% | 0.493 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 172.5 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | L1031 K1032 L1038 N1039 | L1031-C1035 PolarHBondContact O-N 2.78Å; L1031-C1035 PolarHBondContact O-SG 2.82Å; L1031-C1035 VanDerWaalsContact O-SG 3.4Å; K1032-C1035 PolarHBondContact O-N 2.99Å; C1035-L1038 PolarHBondContact O-N 3.44Å; C1035-N1039 VanDerWaalsContact O-CB 3.31Å; C1035-N1039 WeakPolarHBondContact O-CB 3.31Å; C1035-N1039 PolarHBondContact O-N 2.86Å |
| 1036 | N | 75.9 | Confident | 70 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 175.7 | -72.4 | -26.8 | 0 | 0 | 0 | 112.4 | K1032 N1033 S1040 | K1032-N1036 WeakPolarHBondContact O-CB 3.29Å; K1032-N1036 PolarHBondContact O-N 2.63Å; K1032-N1036 PolarHBondContact O-ND2 2.67Å; K1032-N1036 VanDerWaalsContact O-ND2 3.16Å; N1033-N1036 PolarHBondContact O-N 2.76Å; N1036-S1040 WeakPolarHBondContact O-CB 3.48Å; N1036-S1040 PolarHBondContact O-N 3.5Å; N1036-S1040 PolarHBondContact O-OG 3.37Å |
| 1037 | E | 74.9 | Confident | 69.8 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 174.9 | -177.9 | 64.9 | -136.2 | 0 | 0 | 110.6 | N1033 H1034 N1039 S1040 Q1041 | N1033-E1037 WeakPolarHBondContact O-CB 3.45Å; N1033-E1037 PolarHBondContact O-N 2.78Å; H1034-E1037 PolarHBondContact O-N 3.03Å; E1037-N1039 PolarHBondContact O-N 2.91Å; E1037-S1040 WeakPolarHBondContact O-CB 3.37Å; E1037-S1040 PolarHBondContact O-N 3.35Å; E1037-Q1041 WeakPolarHBondContact O-CG 3.28Å; E1037-Q1041 PolarHBondContact O-N 2.76Å; E1037-Q1041 PolarHBondContact OE1-NE2 3.47Å |
| 1038 | L | 67 | Low | 69.5 | Low | 91 Ų | 91 | 92.6 Ų | 92.6 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 175.6 | -75.8 | 166.2 | 0 | 0 | 0 | 112.7 | H1034 C1035 S1040 Q1041 L1042 | H1034-L1038 WeakPolarHBondContact O-CG 3.32Å; H1034-L1038 PolarHBondContact O-N 2.97Å; C1035-L1038 PolarHBondContact O-N 3.44Å; L1038-S1040 VanDerWaalsContact C-N 3.34Å; L1038-S1040 PolarHBondContact O-N 2.84Å; L1038-Q1041 PolarHBondContact O-N 2.77Å; L1038-L1042 PolarHBondContact O-N 2.91Å |
| 1039 | N | 73.9 | Confident | 68.6 | Low | 89 Ų | 89 | 93.9 Ų | 93.9 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 178 | -164.2 | 12.9 | 0 | 0 | 0 | 111.8 | C1035 E1037 L1042 I1043 | C1035-N1039 VanDerWaalsContact O-CB 3.31Å; C1035-N1039 WeakPolarHBondContact O-CB 3.31Å; C1035-N1039 PolarHBondContact O-N 2.86Å; E1037-N1039 PolarHBondContact O-N 2.91Å; N1039-L1042 PolarHBondContact O-N 3.5Å; N1039-I1043 WeakPolarHBondContact O-CG1 3.49Å; N1039-I1043 PolarHBondContact O-N 2.81Å |
| 1040 | S | 75.3 | Confident | 67.6 | Low | 73 Ų | 73 | 98.2 Ų | 98.2 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 174.2 | -59.5 | 0 | 0 | 0 | 0 | 112 | N1036 E1037 L1038 I1043 Q1044 | N1036-S1040 WeakPolarHBondContact O-CB 3.48Å; N1036-S1040 PolarHBondContact O-N 3.5Å; N1036-S1040 PolarHBondContact O-OG 3.37Å; E1037-S1040 WeakPolarHBondContact O-CB 3.37Å; E1037-S1040 PolarHBondContact O-N 3.35Å; L1038-S1040 VanDerWaalsContact C-N 3.34Å; L1038-S1040 PolarHBondContact O-N 2.84Å; S1040-I1043 PolarHBondContact O-N 3.05Å; S1040-Q1044 WeakPolarHBondContact O-CB 3.46Å; S1040-Q1044 PolarHBondContact O-N 2.85Å |
| 1041 | Q | 71.8 | Confident | 66.9 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 175.2 | -68.3 | 175.9 | 23.5 | 0 | 0 | 111.8 | E1037 L1038 Q1044 A1045 | E1037-Q1041 WeakPolarHBondContact O-CG 3.28Å; E1037-Q1041 PolarHBondContact O-N 2.76Å; E1037-Q1041 PolarHBondContact OE1-NE2 3.47Å; L1038-Q1041 PolarHBondContact O-N 2.77Å; Q1041-Q1044 PolarHBondContact O-N 3.47Å; Q1041-A1045 WeakPolarHBondContact O-CB 3.42Å; Q1041-A1045 PolarHBondContact O-N 3.3Å |
| 1042 | L | 64.8 | Low | 66 | Low | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 174.3 | -176.5 | 64.3 | 0 | 0 | 0 | 112.3 | L1038 N1039 Q1044 A1045 Q1046 | L1038-L1042 PolarHBondContact O-N 2.91Å; N1039-L1042 PolarHBondContact O-N 3.5Å; L1042-Q1044 VanDerWaalsContact C-N 3.33Å; L1042-Q1044 PolarHBondContact O-N 3.21Å; L1042-A1045 PolarHBondContact O-N 2.91Å; L1042-Q1046 WeakPolarHBondContact O-CG 3.46Å; L1042-Q1046 PolarHBondContact O-N 3.29Å |
| 1043 | I | 72.4 | Confident | 64.2 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 43% | 0.431 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.9 | -69.9 | 167.1 | 0 | 0 | 0 | 110.9 | N1039 S1040 Q1046 L1047 | N1039-I1043 WeakPolarHBondContact O-CG1 3.49Å; N1039-I1043 PolarHBondContact O-N 2.81Å; S1040-I1043 PolarHBondContact O-N 3.05Å; I1043-Q1046 PolarHBondContact O-N 3.29Å; I1043-L1047 HydrophobicContact CG2-CD1 4.3Å; I1043-L1047 WeakPolarHBondContact O-CB 3.3Å; I1043-L1047 PolarHBondContact O-N 3.17Å |
| 1044 | Q | 72.1 | Confident | 62.4 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.3 | -44.3 | 176.4 | -174.3 | 60.7 | 39.2 | 0 | 0 | 111.6 | S1040 Q1041 L1042 Q1046 L1047 D1048 | S1040-Q1044 WeakPolarHBondContact O-CB 3.46Å; S1040-Q1044 PolarHBondContact O-N 2.85Å; Q1041-Q1044 PolarHBondContact O-N 3.47Å; L1042-Q1044 VanDerWaalsContact C-N 3.33Å; L1042-Q1044 PolarHBondContact O-N 3.21Å; Q1044-Q1046 VanDerWaalsContact C-N 3.29Å; Q1044-Q1046 PolarHBondContact O-N 3.23Å; Q1044-L1047 PolarHBondContact O-N 2.9Å; Q1044-D1048 PolarHBondContact NE2-OD1 3.48Å; Q1044-D1048 PolarHBondContact NE2-OD2 2.95Å; Q1044-D1048 PolarHBondContact O-N 3.42Å |
| 1045 | A | 58.8 | Low | 60.7 | Low | 53 Ų | 53 | 103.1 Ų | 103.1 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -33.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q1041 L1042 N1049 | Q1041-A1045 WeakPolarHBondContact O-CB 3.42Å; Q1041-A1045 PolarHBondContact O-N 3.3Å; L1042-A1045 PolarHBondContact O-N 2.91Å; A1045-N1049 PolarHBondContact O-N 3.38Å; A1045-N1049 PolarHBondContact O-ND2 3.42Å |
| 1046 | Q | 55.8 | Low | 59.4 | Low | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.1 | -41.5 | 173.6 | -71.1 | 178.2 | -10.9 | 0 | 0 | 112.4 | L1042 I1043 Q1044 D1048 N1049 Q1050 | L1042-Q1046 WeakPolarHBondContact O-CG 3.46Å; L1042-Q1046 PolarHBondContact O-N 3.29Å; I1043-Q1046 PolarHBondContact O-N 3.29Å; Q1044-Q1046 VanDerWaalsContact C-N 3.29Å; Q1044-Q1046 PolarHBondContact O-N 3.23Å; Q1046-D1048 PolarHBondContact O-N 2.79Å; Q1046-N1049 PolarHBondContact O-N 2.99Å; Q1046-Q1050 PolarHBondContact O-N 2.94Å |
| 1047 | L | 70.7 | Confident | 57.7 | Low | 78 Ų | 78 | 112.2 Ų | 112.2 | 41% | 0.408 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -34.9 | -179.3 | -107.7 | 160.6 | 0 | 0 | 0 | 113.6 | I1043 Q1044 Q1050 | I1043-L1047 HydrophobicContact CG2-CD1 4.3Å; I1043-L1047 WeakPolarHBondContact O-CB 3.3Å; I1043-L1047 PolarHBondContact O-N 3.17Å; Q1044-L1047 PolarHBondContact O-N 2.9Å; L1047-Q1050 PolarHBondContact O-N 3.02Å |
| 1048 | D | 59.2 | Low | 56.1 | Low | 79 Ų | 79 | 112.1 Ų | 112.1 | 42% | 0.422 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -78.8 | -24.9 | 178.9 | -69.3 | -23.3 | 0 | 0 | 0 | 112.7 | Q1044 Q1046 K1051 | Q1044-D1048 PolarHBondContact NE2-OD1 3.48Å; Q1044-D1048 PolarHBondContact NE2-OD2 2.95Å; Q1044-D1048 PolarHBondContact O-N 3.42Å; Q1046-D1048 PolarHBondContact O-N 2.79Å; D1048-K1051 IonicContact OD1-NZ 2.71Å; D1048-K1051 PolarHBondContact OD1-NZ 3.26Å |
| 1049 | N | 49.7 | Very low | 54.8 | Low | 134 Ų | 134 | 113.2 Ų | 113.2 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.6 | -29.7 | 169.7 | -86 | -69.7 | 0 | 0 | 0 | 113.2 | A1045 Q1046 | A1045-N1049 PolarHBondContact O-N 3.38Å; A1045-N1049 PolarHBondContact O-ND2 3.42Å; Q1046-N1049 PolarHBondContact O-N 2.99Å |
| 1050 | Q | 53.4 | Low | 53.2 | Low | 157 Ų | 157 | 115.7 Ų | 115.7 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.1 | -20.8 | -179.8 | -71 | -172 | -2.5 | 0 | 0 | 114.4 | Q1046 L1047 L1052 | Q1046-Q1050 PolarHBondContact O-N 2.94Å; L1047-Q1050 PolarHBondContact O-N 3.02Å; Q1050-L1052 VanDerWaalsContact C-N 3.34Å; Q1050-L1052 PolarHBondContact O-N 2.88Å |
| 1051 | K | 55.1 | Low | 51.7 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 60% | 0.604 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -5.9 | -173.1 | -76.9 | 172.1 | -170 | 154.4 | 0 | 115.6 | D1048 | D1048-K1051 IonicContact OD1-NZ 2.71Å; D1048-K1051 PolarHBondContact OD1-NZ 3.26Å |
| 1052 | L | 44.8 | Very low | 50.4 | Low | 166 Ų | 166 | 125.5 Ų | 125.5 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -1 | -173.6 | -124.4 | 86.2 | 0 | 0 | 0 | 115.3 | Q1050 | Q1050-L1052 VanDerWaalsContact C-N 3.34Å; Q1050-L1052 PolarHBondContact O-N 2.88Å |
| 1053 | A | 37.6 | Very low | 49.4 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -115.1 | -12 | -154.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 1054 | A | 39 | Very low | 48.3 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | trans | -152.4 | 102.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1055 | D | 37.5 | Very low | 47.4 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -162.2 | 90.7 | 169.6 | -159.8 | 3.2 | 0 | 0 | 0 | 114.3 | ||||
| 1056 | Q | 38.3 | Very low | 47.3 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -169.7 | 99 | 162.1 | -152.2 | 83.9 | 69.7 | 0 | 0 | 117.7 | ||||
| 1057 | K | 40.6 | Very low | 46.9 | Very low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.787 | 71% | 0.705 | S | S | * | * | trans | 58.2 | 167.7 | 146.1 | -68.6 | -167.3 | 170.7 | -172.6 | 0 | 121 | ||||
| 1058 | S | 40.5 | Very low | 46.2 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | cis | -153.8 | 167.4 | 6.7 | -149.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1059 | T | 40.1 | Very low | 46.1 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 69% | 0.693 | 69% | 0.689 | S | S | * | * | trans | -125.6 | 166 | 160.9 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1060 | D | 39.1 | Very low | 46.2 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | 165.8 | 139.3 | 122.1 | -78.6 | -3.8 | 0 | 0 | 0 | 116.1 | |||||
| 1061 | E | 45.5 | Very low | 46.6 | Very low | 176 Ų | 176 | 127 Ų | 127 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | 12.9 | 131.7 | 150 | -49.5 | -171.5 | 157.3 | 0 | 0 | 121 | ||||
| 1062 | K | 44.6 | Very low | 46.8 | Very low | 209 Ų | 209 | 124 Ų | 124 | 91% | 0.909 | 67% | 0.665 | S | S | * | * | cis | 74.3 | 58.8 | 11.7 | -106.6 | -171.8 | -172.5 | -178 | 0 | 118.7 | ||||
| 1063 | F | 43.4 | Very low | 47.6 | Very low | 145 Ų | 145 | 117.5 Ų | 117.5 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | trans | -149.7 | -56.7 | 155 | -150.1 | -123.8 | 0 | 0 | 0 | 115.8 | S1065 I1066 | F1063-S1065 PolarHBondContact O-N 3.45Å; F1063-I1066 HydrophobicContact CD1-CD1 3.92Å; F1063-I1066 HydrophobicContact CE1-CD1 3.57Å; F1063-I1066 HydrophobicContact CE2-CD1 4.45Å; F1063-I1066 HydrophobicContact CZ-CD1 3.85Å | ||
| 1064 | N | 48.2 | Very low | 49.1 | Very low | 153 Ų | 153 | 118 Ų | 118 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -84.8 | 60 | -150.9 | -69.8 | -44.9 | 0 | 0 | 0 | 117.9 | ||
| 1065 | S | 53.8 | Low | 50.6 | Low | 63 Ų | 63 | 118.2 Ų | 118.2 | 44% | 0.441 | 61% | 0.61 | S | S | . | * | trans | -151.1 | 90 | 144 | -180 | 0 | 0 | 0 | 0 | 108 | F1063 G1068 S1069 K1072 | F1063-S1065 PolarHBondContact O-N 3.45Å; S1065-G1068 CarbonylContact O-C 3.56Å; S1065-G1068 VanDerWaalsContact O-CA 3.27Å; S1065-G1068 WeakPolarHBondContact O-CA 3.47Å; S1065-G1068 PolarHBondContact O-N 2.74Å; S1065-G1068 WeakPolarHBondContact OG-CA 3.3Å; S1065-G1068 PolarHBondContact OG-N 2.8Å; S1065-S1069 PolarHBondContact O-N 3.44Å; S1065-S1069 PolarHBondContact O-OG 3.09Å; S1065-K1072 PolarHBondContact O-NZ 3.04Å | ||
| 1066 | I | 55.4 | Low | 52 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -88.9 | -25.4 | -167.9 | -66 | 174 | 0 | 0 | 0 | 112.6 | F1063 S1069 L1070 | F1063-I1066 HydrophobicContact CD1-CD1 3.92Å; F1063-I1066 HydrophobicContact CE1-CD1 3.57Å; F1063-I1066 HydrophobicContact CE2-CD1 4.45Å; F1063-I1066 HydrophobicContact CZ-CD1 3.85Å; I1066-S1069 CarbonylContact O-C 3.51Å; I1066-S1069 WeakPolarHBondContact O-CA 3.28Å; I1066-S1069 WeakPolarHBondContact O-CB 3.39Å; I1066-S1069 PolarHBondContact O-N 3.41Å; I1066-L1070 PolarHBondContact O-N 3.21Å; I1066-L1070 VanDerWaalsContact O-N 3.12Å |
| 1067 | E | 47.6 | Very low | 53.6 | Low | 171 Ų | 171 | 109.6 Ų | 109.6 | 80% | 0.799 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -69.1 | -40.8 | 159.8 | 179 | 174.1 | -147 | 0 | 0 | 110.3 | S1069 L1070 I1071 | E1067-S1069 PolarHBondContact O-N 2.87Å; E1067-S1069 VanDerWaalsContact O-N 3.12Å; E1067-L1070 PolarHBondContact O-N 2.77Å; E1067-I1071 PolarHBondContact O-N 3.47Å |
| 1068 | G | 57.8 | Low | 55.3 | Low | 18 Ų | 18 | 105.4 Ų | 105.4 | 19% | 0.186 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -54.5 | -22.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1065 K1072 | S1065-G1068 CarbonylContact O-C 3.56Å; S1065-G1068 VanDerWaalsContact O-CA 3.27Å; S1065-G1068 WeakPolarHBondContact O-CA 3.47Å; S1065-G1068 PolarHBondContact O-N 2.74Å; S1065-G1068 WeakPolarHBondContact OG-CA 3.3Å; S1065-G1068 PolarHBondContact OG-N 2.8Å; G1068-K1072 WeakPolarHBondContact O-CA 3.39Å; G1068-K1072 WeakPolarHBondContact O-CB 3.42Å; G1068-K1072 WeakPolarHBondContact O-CD 3.08Å; G1068-K1072 VanDerWaalsContact O-CE 3.25Å; G1068-K1072 WeakPolarHBondContact O-CE 3.46Å; G1068-K1072 WeakPolarHBondContact O-CG 3.17Å; G1068-K1072 PolarHBondContact O-N 3.18Å |
| 1069 | S | 56.1 | Low | 56.9 | Low | 46 Ų | 46 | 105.2 Ų | 105.2 | 32% | 0.322 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -96.9 | 12.8 | 172.3 | -52 | 0 | 0 | 0 | 0 | 114.3 | S1065 I1066 E1067 K1072 A1073 | S1065-S1069 PolarHBondContact O-N 3.44Å; S1065-S1069 PolarHBondContact O-OG 3.09Å; I1066-S1069 CarbonylContact O-C 3.51Å; I1066-S1069 WeakPolarHBondContact O-CA 3.28Å; I1066-S1069 WeakPolarHBondContact O-CB 3.39Å; I1066-S1069 PolarHBondContact O-N 3.41Å; E1067-S1069 PolarHBondContact O-N 2.87Å; E1067-S1069 VanDerWaalsContact O-N 3.12Å; S1069-K1072 CarbonylContact O-C 3.54Å; S1069-A1073 VanDerWaalsContact C-N 3.34Å; S1069-A1073 WeakPolarHBondContact O-CA 3.49Å; S1069-A1073 VanDerWaalsContact O-CB 3.29Å; S1069-A1073 WeakPolarHBondContact O-CB 3.27Å; S1069-A1073 PolarHBondContact O-N 2.93Å |
| 1070 | L | 50.8 | Low | 58.5 | Low | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -100.1 | -36.2 | 158.5 | -129.7 | 170.1 | 0 | 0 | 0 | 110.1 | I1066 E1067 A1073 N1074 | I1066-L1070 PolarHBondContact O-N 3.21Å; I1066-L1070 VanDerWaalsContact O-N 3.12Å; E1067-L1070 PolarHBondContact O-N 2.77Å; L1070-A1073 VanDerWaalsContact C-N 3.27Å; L1070-A1073 HydrophobicContact CD2-CB 4.19Å; L1070-A1073 HydrophobicContact CG-CB 4.46Å; L1070-A1073 WeakPolarHBondContact O-CA 3.41Å; L1070-A1073 WeakPolarHBondContact O-CB 3.49Å; L1070-A1073 PolarHBondContact O-N 3.26Å; L1070-N1074 PolarHBondContact O-N 3.29Å; L1070-N1074 VanDerWaalsContact O-N 3.16Å |
| 1071 | I | 63.1 | Low | 60.4 | Low | 117 Ų | 117 | 103.6 Ų | 103.6 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 160.7 | -67.5 | 180 | 0 | 0 | 0 | 109.9 | E1067 A1073 N1074 Q1075 | E1067-I1071 PolarHBondContact O-N 3.47Å; I1071-A1073 PolarHBondContact O-N 2.71Å; I1071-N1074 PolarHBondContact O-N 2.93Å; I1071-Q1075 HydrophobicContact CG2-CG 4.39Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.27Å; I1071-Q1075 PolarHBondContact O-N 2.94Å |
| 1072 | K | 59.9 | Low | 62.1 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 34% | 0.335 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.7 | 7.1 | 162.1 | -36.1 | 138.1 | -158.5 | 159.8 | 0 | 114.3 | S1065 G1068 S1069 T1076 | S1065-K1072 PolarHBondContact O-NZ 3.04Å; G1068-K1072 WeakPolarHBondContact O-CA 3.39Å; G1068-K1072 WeakPolarHBondContact O-CB 3.42Å; G1068-K1072 WeakPolarHBondContact O-CD 3.08Å; G1068-K1072 VanDerWaalsContact O-CE 3.25Å; G1068-K1072 WeakPolarHBondContact O-CE 3.46Å; G1068-K1072 WeakPolarHBondContact O-CG 3.17Å; G1068-K1072 PolarHBondContact O-N 3.18Å; S1069-K1072 CarbonylContact O-C 3.54Å; K1072-T1076 HydrophobicContact CB-CG2 4.26Å; K1072-T1076 WeakPolarHBondContact O-CA 3.19Å; K1072-T1076 WeakPolarHBondContact O-CB 3.48Å; K1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; K1072-T1076 PolarHBondContact O-N 3.08Å; K1072-T1076 PolarHBondContact O-OG1 3.25Å |
| 1073 | A | 61.2 | Low | 63.6 | Low | 30 Ų | 30 | 97.1 Ų | 97.1 | 25% | 0.248 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -78.3 | -44.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S1069 L1070 I1071 T1076 I1077 | S1069-A1073 VanDerWaalsContact C-N 3.34Å; S1069-A1073 WeakPolarHBondContact O-CA 3.49Å; S1069-A1073 VanDerWaalsContact O-CB 3.29Å; S1069-A1073 WeakPolarHBondContact O-CB 3.27Å; S1069-A1073 PolarHBondContact O-N 2.93Å; L1070-A1073 VanDerWaalsContact C-N 3.27Å; L1070-A1073 HydrophobicContact CD2-CB 4.19Å; L1070-A1073 HydrophobicContact CG-CB 4.46Å; L1070-A1073 WeakPolarHBondContact O-CA 3.41Å; L1070-A1073 WeakPolarHBondContact O-CB 3.49Å; L1070-A1073 PolarHBondContact O-N 3.26Å; I1071-A1073 PolarHBondContact O-N 2.71Å; A1073-T1076 CarbonylContact O-C 3.56Å; A1073-T1076 PolarHBondContact O-N 2.8Å; A1073-T1076 PolarHBondContact O-OG1 3.31Å; A1073-I1077 WeakPolarHBondContact O-CB 3.28Å; A1073-I1077 WeakPolarHBondContact O-CD1 3.33Å; A1073-I1077 WeakPolarHBondContact O-CG1 3.29Å; A1073-I1077 PolarHBondContact O-N 2.89Å |
| 1074 | N | 68.5 | Low | 65.3 | Low | 100 Ų | 100 | 95 Ų | 95 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.2 | -40.8 | 174.1 | -68.8 | -34.8 | 0 | 0 | 0 | 112.1 | L1070 I1071 I1077 D1078 | L1070-N1074 PolarHBondContact O-N 3.29Å; L1070-N1074 VanDerWaalsContact O-N 3.16Å; I1071-N1074 PolarHBondContact O-N 2.93Å; N1074-I1077 PolarHBondContact O-N 3.48Å; N1074-I1077 VanDerWaalsContact O-N 3.14Å; N1074-D1078 PolarHBondContact O-N 2.97Å |
| 1075 | Q | 70.5 | Confident | 66.8 | Low | 103 Ų | 103 | 91.2 Ų | 91.2 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.5 | -31.7 | 170.8 | -55 | 167.7 | -47.7 | 0 | 0 | 111.8 | I1071 D1078 E1079 | I1071-Q1075 HydrophobicContact CG2-CG 4.39Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.27Å; I1071-Q1075 PolarHBondContact O-N 2.94Å; Q1075-D1078 PolarHBondContact O-N 3.01Å; Q1075-E1079 WeakPolarHBondContact O-CA 3.2Å; Q1075-E1079 WeakPolarHBondContact O-CB 3.31Å; Q1075-E1079 WeakPolarHBondContact O-CG 3.41Å; Q1075-E1079 PolarHBondContact O-N 2.92Å |
| 1076 | T | 66.3 | Low | 68 | Low | 58 Ų | 58 | 91.2 Ų | 91.2 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.4 | -19.8 | 166.8 | 62 | 0 | 0 | 0 | 0 | 113.4 | K1072 A1073 L1080 | K1072-T1076 HydrophobicContact CB-CG2 4.26Å; K1072-T1076 WeakPolarHBondContact O-CA 3.19Å; K1072-T1076 WeakPolarHBondContact O-CB 3.48Å; K1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; K1072-T1076 PolarHBondContact O-N 3.08Å; K1072-T1076 PolarHBondContact O-OG1 3.25Å; A1073-T1076 CarbonylContact O-C 3.56Å; A1073-T1076 PolarHBondContact O-N 2.8Å; A1073-T1076 PolarHBondContact O-OG1 3.31Å; T1076-L1080 WeakPolarHBondContact O-CA 3.31Å; T1076-L1080 WeakPolarHBondContact O-CB 3.49Å; T1076-L1080 VanDerWaalsContact O-CD1 3.3Å; T1076-L1080 WeakPolarHBondContact O-CD1 3.47Å; T1076-L1080 WeakPolarHBondContact O-CG 3.49Å; T1076-L1080 PolarHBondContact O-N 2.78Å |
| 1077 | I | 71.6 | Confident | 69.1 | Low | 82 Ų | 82 | 91.1 Ų | 91.1 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.3 | -40.4 | 169.1 | -77.5 | 162.4 | 0 | 0 | 0 | 110.2 | A1073 N1074 L1080 K1081 | A1073-I1077 WeakPolarHBondContact O-CB 3.28Å; A1073-I1077 WeakPolarHBondContact O-CD1 3.33Å; A1073-I1077 WeakPolarHBondContact O-CG1 3.29Å; A1073-I1077 PolarHBondContact O-N 2.89Å; N1074-I1077 PolarHBondContact O-N 3.48Å; N1074-I1077 VanDerWaalsContact O-N 3.14Å; I1077-L1080 PolarHBondContact O-N 2.96Å; I1077-K1081 VanDerWaalsContact O-CG 3.31Å; I1077-K1081 WeakPolarHBondContact O-CG 3.3Å; I1077-K1081 PolarHBondContact O-N 2.99Å |
| 1078 | D | 77.8 | Confident | 70.7 | Confident | 93 Ų | 93 | 88.8 Ų | 88.8 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -80.8 | -30.9 | 177.5 | -70 | -25.9 | 0 | 0 | 0 | 112.7 | N1074 Q1075 K1081 R1082 | N1074-D1078 PolarHBondContact O-N 2.97Å; Q1075-D1078 PolarHBondContact O-N 3.01Å; D1078-K1081 IonicContact OD1-NZ 2.72Å; D1078-K1081 PolarHBondContact OD1-NZ 3.23Å; D1078-R1082 VanDerWaalsContact O-CB 3.26Å; D1078-R1082 WeakPolarHBondContact O-CB 3.46Å; D1078-R1082 PolarHBondContact O-N 3.43Å |
| 1079 | E | 74.7 | Confident | 71.9 | Confident | 99 Ų | 99 | 93 Ų | 93 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 163.3 | -70.3 | 169.4 | 175.2 | 0 | 0 | 111.1 | Q1075 R1082 N1083 | Q1075-E1079 WeakPolarHBondContact O-CA 3.2Å; Q1075-E1079 WeakPolarHBondContact O-CB 3.31Å; Q1075-E1079 WeakPolarHBondContact O-CG 3.41Å; Q1075-E1079 PolarHBondContact O-N 2.92Å; E1079-R1082 CarbonylContact O-C 3.58Å; E1079-R1082 PolarHBondContact O-N 3.15Å; E1079-N1083 WeakPolarHBondContact O-CA 3.5Å; E1079-N1083 WeakPolarHBondContact O-CB 3.17Å; E1079-N1083 PolarHBondContact O-N 2.7Å; E1079-N1083 PolarHBondContact O-ND2 3.24Å; E1079-N1083 VanDerWaalsContact O-ND2 3.12Å; E1079-N1083 PolarHBondContact O-OD1 3.32Å |
| 1080 | L | 71.7 | Confident | 73.2 | Confident | 108 Ų | 108 | 94.7 Ų | 94.7 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74 | -35.1 | 171.9 | -81.3 | 165.4 | 0 | 0 | 0 | 110.7 | T1076 I1077 N1083 E1084 | T1076-L1080 WeakPolarHBondContact O-CA 3.31Å; T1076-L1080 WeakPolarHBondContact O-CB 3.49Å; T1076-L1080 VanDerWaalsContact O-CD1 3.3Å; T1076-L1080 WeakPolarHBondContact O-CD1 3.47Å; T1076-L1080 WeakPolarHBondContact O-CG 3.49Å; T1076-L1080 PolarHBondContact O-N 2.78Å; I1077-L1080 PolarHBondContact O-N 2.96Å; L1080-N1083 CarbonylContact O-C 3.57Å; L1080-N1083 PolarHBondContact O-N 2.97Å; L1080-E1084 WeakPolarHBondContact O-CA 3.45Å; L1080-E1084 WeakPolarHBondContact O-CB 3.46Å; L1080-E1084 PolarHBondContact O-N 3.4Å |
| 1081 | K | 80.2 | Confident | 74.6 | Confident | 114 Ų | 114 | 95.9 Ų | 95.9 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 167.4 | -69.7 | 167.4 | -157.8 | 157.6 | 0 | 111.4 | I1077 D1078 E1084 S1085 | I1077-K1081 VanDerWaalsContact O-CG 3.31Å; I1077-K1081 WeakPolarHBondContact O-CG 3.3Å; I1077-K1081 PolarHBondContact O-N 2.99Å; D1078-K1081 IonicContact OD1-NZ 2.72Å; D1078-K1081 PolarHBondContact OD1-NZ 3.23Å; K1081-E1084 PolarHBondContact O-N 3.22Å; K1081-S1085 WeakPolarHBondContact O-CB 3.41Å; K1081-S1085 PolarHBondContact O-N 3.26Å |
| 1082 | R | 80.8 | Confident | 75.5 | Confident | 174 Ų | 174 | 94.3 Ų | 94.3 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 175.5 | -162.8 | -174 | -168.7 | 93.7 | 4.8 | 111.1 | D1078 E1079 S1085 I1086 | D1078-R1082 VanDerWaalsContact O-CB 3.26Å; D1078-R1082 WeakPolarHBondContact O-CB 3.46Å; D1078-R1082 PolarHBondContact O-N 3.43Å; E1079-R1082 CarbonylContact O-C 3.58Å; E1079-R1082 PolarHBondContact O-N 3.15Å; R1082-S1085 CarbonylContact O-C 3.56Å; R1082-S1085 WeakPolarHBondContact O-CB 3.38Å; R1082-S1085 PolarHBondContact O-N 3.29Å; R1082-I1086 HydrophobicContact CG-CD1 3.99Å; R1082-I1086 WeakPolarHBondContact O-CB 3.41Å; R1082-I1086 WeakPolarHBondContact O-CD1 3.49Å; R1082-I1086 WeakPolarHBondContact O-CG1 3.31Å; R1082-I1086 PolarHBondContact O-N 3.39Å |
| 1083 | N | 76.5 | Confident | 76.7 | Confident | 75 Ų | 75 | 94.2 Ų | 94.2 | 40% | 0.401 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.5 | -25.2 | 176.8 | -68 | -20.2 | 0 | 0 | 0 | 111.6 | E1079 L1080 L1087 | E1079-N1083 WeakPolarHBondContact O-CA 3.5Å; E1079-N1083 WeakPolarHBondContact O-CB 3.17Å; E1079-N1083 PolarHBondContact O-N 2.7Å; E1079-N1083 PolarHBondContact O-ND2 3.24Å; E1079-N1083 VanDerWaalsContact O-ND2 3.12Å; E1079-N1083 PolarHBondContact O-OD1 3.32Å; L1080-N1083 CarbonylContact O-C 3.57Å; L1080-N1083 PolarHBondContact O-N 2.97Å; N1083-L1087 WeakPolarHBondContact O-CA 3.34Å; N1083-L1087 WeakPolarHBondContact O-CB 3.34Å; N1083-L1087 WeakPolarHBondContact O-CD1 3.33Å; N1083-L1087 WeakPolarHBondContact O-CG 3.45Å; N1083-L1087 PolarHBondContact O-N 3.4Å |
| 1084 | E | 78.6 | Confident | 77.4 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.3 | -38.1 | 167.9 | -172.3 | -162.5 | 149.2 | 0 | 0 | 109.7 | L1080 K1081 L1087 K1088 | L1080-E1084 WeakPolarHBondContact O-CA 3.45Å; L1080-E1084 WeakPolarHBondContact O-CB 3.46Å; L1080-E1084 PolarHBondContact O-N 3.4Å; K1081-E1084 PolarHBondContact O-N 3.22Å; E1084-L1087 PolarHBondContact O-N 3.33Å; E1084-K1088 HydrophobicContact CG-CD 4.33Å; E1084-K1088 VanDerWaalsContact O-CB 3.23Å; E1084-K1088 WeakPolarHBondContact O-CB 3.43Å; E1084-K1088 VanDerWaalsContact O-CG 3.25Å; E1084-K1088 WeakPolarHBondContact O-CG 3.37Å; E1084-K1088 PolarHBondContact O-N 3.29Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.24Å; E1084-K1088 IonicContact OE1-NZ 2.62Å; E1084-K1088 PolarHBondContact OE1-NZ 3.47Å |
| 1085 | S | 80.1 | Confident | 78.2 | Confident | 73 Ų | 73 | 98.2 Ų | 98.2 | 51% | 0.51 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 170.4 | -165 | 0 | 0 | 0 | 0 | 111.1 | K1081 R1082 K1088 E1089 | K1081-S1085 WeakPolarHBondContact O-CB 3.41Å; K1081-S1085 PolarHBondContact O-N 3.26Å; R1082-S1085 CarbonylContact O-C 3.56Å; R1082-S1085 WeakPolarHBondContact O-CB 3.38Å; R1082-S1085 PolarHBondContact O-N 3.29Å; S1085-K1088 PolarHBondContact O-N 3Å; S1085-E1089 WeakPolarHBondContact O-CB 3.44Å; S1085-E1089 PolarHBondContact O-N 3.35Å |
| 1086 | I | 80 | Confident | 78.9 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.2 | -29.6 | 176.3 | -68.4 | 162.3 | 0 | 0 | 0 | 111.2 | R1082 N1090 | R1082-I1086 HydrophobicContact CG-CD1 3.99Å; R1082-I1086 WeakPolarHBondContact O-CB 3.41Å; R1082-I1086 WeakPolarHBondContact O-CD1 3.49Å; R1082-I1086 WeakPolarHBondContact O-CG1 3.31Å; R1082-I1086 PolarHBondContact O-N 3.39Å; I1086-N1090 WeakPolarHBondContact O-CA 3.49Å; I1086-N1090 WeakPolarHBondContact O-CB 3.38Å; I1086-N1090 PolarHBondContact O-N 2.87Å; I1086-N1090 PolarHBondContact O-ND2 3.44Å |
| 1087 | L | 77.2 | Confident | 79.6 | Confident | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.4 | -36.7 | 170.2 | -93.8 | 150 | 0 | 0 | 0 | 110.8 | N1083 E1084 Y1091 | N1083-L1087 WeakPolarHBondContact O-CA 3.34Å; N1083-L1087 WeakPolarHBondContact O-CB 3.34Å; N1083-L1087 WeakPolarHBondContact O-CD1 3.33Å; N1083-L1087 WeakPolarHBondContact O-CG 3.45Å; N1083-L1087 PolarHBondContact O-N 3.4Å; E1084-L1087 PolarHBondContact O-N 3.33Å; L1087-Y1091 HydrophobicContact CD2-CD2 4.16Å; L1087-Y1091 HydrophobicContact CD2-CE2 3.76Å; L1087-Y1091 WeakPolarHBondContact O-CA 3.35Å; L1087-Y1091 WeakPolarHBondContact O-CB 3.34Å; L1087-Y1091 WeakPolarHBondContact O-CD2 3.38Å; L1087-Y1091 PolarHBondContact O-N 2.63Å |
| 1088 | K | 82 | Confident | 80.2 | Confident | 122 Ų | 122 | 102.6 Ų | 102.6 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 171.4 | -79.7 | 168.3 | 171.3 | 169.4 | 0 | 111.2 | E1084 S1085 T1092 | E1084-K1088 HydrophobicContact CG-CD 4.33Å; E1084-K1088 VanDerWaalsContact O-CB 3.23Å; E1084-K1088 WeakPolarHBondContact O-CB 3.43Å; E1084-K1088 VanDerWaalsContact O-CG 3.25Å; E1084-K1088 WeakPolarHBondContact O-CG 3.37Å; E1084-K1088 PolarHBondContact O-N 3.29Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.24Å; E1084-K1088 IonicContact OE1-NZ 2.62Å; E1084-K1088 PolarHBondContact OE1-NZ 3.47Å; S1085-K1088 PolarHBondContact O-N 3Å; K1088-T1092 WeakPolarHBondContact O-CB 3.47Å; K1088-T1092 PolarHBondContact O-N 2.91Å; K1088-T1092 PolarHBondContact O-OG1 3.34Å |
| 1089 | E | 83.3 | Confident | 80.6 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 174.8 | -172.3 | 171.1 | -172.1 | 0 | 0 | 110.9 | S1085 T1092 N1093 | S1085-E1089 WeakPolarHBondContact O-CB 3.44Å; S1085-E1089 PolarHBondContact O-N 3.35Å; E1089-T1092 CarbonylContact O-C 3.55Å; E1089-T1092 PolarHBondContact O-N 3.42Å; E1089-N1093 VanDerWaalsContact O-CB 3.28Å; E1089-N1093 WeakPolarHBondContact O-CB 3.41Å; E1089-N1093 PolarHBondContact O-N 2.84Å; E1089-N1093 PolarHBondContact O-ND2 3.27Å |
| 1090 | N | 81.8 | Confident | 81 | Confident | 80 Ų | 80 | 103.2 Ų | 103.2 | 43% | 0.428 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 174.6 | -73.3 | -13.3 | 0 | 0 | 0 | 112.5 | I1086 N1093 Q1094 | I1086-N1090 WeakPolarHBondContact O-CA 3.49Å; I1086-N1090 WeakPolarHBondContact O-CB 3.38Å; I1086-N1090 PolarHBondContact O-N 2.87Å; I1086-N1090 PolarHBondContact O-ND2 3.44Å; N1090-N1093 PolarHBondContact O-N 2.82Å; N1090-Q1094 VanDerWaalsContact O-CB 3.25Å; N1090-Q1094 WeakPolarHBondContact O-CB 3.21Å; N1090-Q1094 VanDerWaalsContact O-CG 3.26Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.5Å; N1090-Q1094 PolarHBondContact O-N 3.36Å |
| 1091 | Y | 80.2 | Confident | 81.3 | Confident | 143 Ų | 143 | 100.2 Ų | 100.2 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.5 | -33.8 | 171.9 | -84.8 | -57 | 0 | 0 | 0 | 111.5 | L1087 Q1094 L1095 | L1087-Y1091 HydrophobicContact CD2-CD2 4.16Å; L1087-Y1091 HydrophobicContact CD2-CE2 3.76Å; L1087-Y1091 WeakPolarHBondContact O-CA 3.35Å; L1087-Y1091 WeakPolarHBondContact O-CB 3.34Å; L1087-Y1091 WeakPolarHBondContact O-CD2 3.38Å; L1087-Y1091 PolarHBondContact O-N 2.63Å; Y1091-Q1094 PolarHBondContact O-N 2.89Å; Y1091-L1095 VanDerWaalsContact O-CB 3.25Å; Y1091-L1095 WeakPolarHBondContact O-CB 3.49Å; Y1091-L1095 PolarHBondContact O-N 3.31Å |
| 1092 | T | 82.8 | Confident | 81.5 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 173.5 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | K1088 E1089 L1095 K1096 | K1088-T1092 WeakPolarHBondContact O-CB 3.47Å; K1088-T1092 PolarHBondContact O-N 2.91Å; K1088-T1092 PolarHBondContact O-OG1 3.34Å; E1089-T1092 CarbonylContact O-C 3.55Å; E1089-T1092 PolarHBondContact O-N 3.42Å; T1092-L1095 PolarHBondContact O-N 2.94Å; T1092-K1096 VanDerWaalsContact O-CB 3.25Å; T1092-K1096 WeakPolarHBondContact O-CB 3.14Å; T1092-K1096 PolarHBondContact O-N 2.94Å |
| 1093 | N | 84 | Confident | 81.6 | Confident | 75 Ų | 75 | 96.6 Ų | 96.6 | 40% | 0.401 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.1 | -35 | 174.8 | -68.7 | -23.6 | 0 | 0 | 0 | 111.4 | E1089 N1090 L1097 | E1089-N1093 VanDerWaalsContact O-CB 3.28Å; E1089-N1093 WeakPolarHBondContact O-CB 3.41Å; E1089-N1093 PolarHBondContact O-N 2.84Å; E1089-N1093 PolarHBondContact O-ND2 3.27Å; N1090-N1093 PolarHBondContact O-N 2.82Å; N1093-L1097 VanDerWaalsContact O-CB 3.22Å; N1093-L1097 WeakPolarHBondContact O-CB 3.44Å; N1093-L1097 WeakPolarHBondContact O-CD1 3.19Å; N1093-L1097 WeakPolarHBondContact O-CG 3.31Å; N1093-L1097 PolarHBondContact O-N 3.31Å |
| 1094 | Q | 77.8 | Confident | 82 | Confident | 116 Ų | 116 | 96.9 Ų | 96.9 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 171.4 | -79.4 | 179.4 | -13.2 | 0 | 0 | 111.9 | N1090 Y1091 F1098 | N1090-Q1094 VanDerWaalsContact O-CB 3.25Å; N1090-Q1094 WeakPolarHBondContact O-CB 3.21Å; N1090-Q1094 VanDerWaalsContact O-CG 3.26Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.5Å; N1090-Q1094 PolarHBondContact O-N 3.36Å; Y1091-Q1094 PolarHBondContact O-N 2.89Å; Q1094-F1098 WeakPolarHBondContact O-CB 3.46Å; Q1094-F1098 PolarHBondContact O-N 3.46Å |
| 1095 | L | 83.3 | Confident | 82.2 | Confident | 98 Ų | 98 | 96.5 Ų | 96.5 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 170.4 | -95.1 | 150.6 | 0 | 0 | 0 | 110.5 | Y1091 T1092 F1098 E1099 | Y1091-L1095 VanDerWaalsContact O-CB 3.25Å; Y1091-L1095 WeakPolarHBondContact O-CB 3.49Å; Y1091-L1095 PolarHBondContact O-N 3.31Å; T1092-L1095 PolarHBondContact O-N 2.94Å; L1095-F1098 CarbonylContact O-C 3.59Å; L1095-F1098 WeakPolarHBondContact O-CB 3.12Å; L1095-F1098 PolarHBondContact O-N 2.69Å; L1095-F1098 VanDerWaalsContact O-N 3.16Å; L1095-E1099 WeakPolarHBondContact O-CB 3.39Å; L1095-E1099 VanDerWaalsContact O-CG 3.26Å; L1095-E1099 WeakPolarHBondContact O-CG 3.44Å; L1095-E1099 PolarHBondContact O-N 3.24Å |
| 1096 | K | 86 | Confident | 82.6 | Confident | 108 Ų | 108 | 100 Ų | 100 | 47% | 0.47 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.8 | -170.2 | 171.7 | -178.7 | -70 | 0 | 112.4 | T1092 F1098 E1099 E1100 | T1092-K1096 VanDerWaalsContact O-CB 3.25Å; T1092-K1096 WeakPolarHBondContact O-CB 3.14Å; T1092-K1096 PolarHBondContact O-N 2.94Å; K1096-F1098 VanDerWaalsContact C-N 3.3Å; K1096-F1098 PolarHBondContact O-N 3.34Å; K1096-E1099 PolarHBondContact O-N 3.29Å; K1096-E1100 IonicContact NZ-OE1 2.64Å; K1096-E1100 PolarHBondContact NZ-OE1 3.48Å; K1096-E1100 VanDerWaalsContact O-CB 3.26Å; K1096-E1100 WeakPolarHBondContact O-CB 3.18Å; K1096-E1100 WeakPolarHBondContact O-CG 3.32Å; K1096-E1100 PolarHBondContact O-N 2.84Å |
| 1097 | L | 80.5 | Confident | 82.9 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.4 | -32.7 | 171.8 | -76.4 | 166.6 | 0 | 0 | 0 | 111.9 | N1093 S1101 | N1093-L1097 VanDerWaalsContact O-CB 3.22Å; N1093-L1097 WeakPolarHBondContact O-CB 3.44Å; N1093-L1097 WeakPolarHBondContact O-CD1 3.19Å; N1093-L1097 WeakPolarHBondContact O-CG 3.31Å; N1093-L1097 PolarHBondContact O-N 3.31Å; L1097-S1101 VanDerWaalsContact O-CB 3.26Å; L1097-S1101 WeakPolarHBondContact O-CB 3.21Å; L1097-S1101 PolarHBondContact O-N 3.31Å; L1097-S1101 PolarHBondContact O-OG 3.25Å |
| 1098 | F | 83.8 | Confident | 83.3 | Confident | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.1 | -42.5 | 175.6 | -177.6 | -106.6 | 0 | 0 | 0 | 111.4 | Q1094 L1095 K1096 S1101 Q1102 | Q1094-F1098 WeakPolarHBondContact O-CB 3.46Å; Q1094-F1098 PolarHBondContact O-N 3.46Å; L1095-F1098 CarbonylContact O-C 3.59Å; L1095-F1098 WeakPolarHBondContact O-CB 3.12Å; L1095-F1098 PolarHBondContact O-N 2.69Å; L1095-F1098 VanDerWaalsContact O-N 3.16Å; K1096-F1098 VanDerWaalsContact C-N 3.3Å; K1096-F1098 PolarHBondContact O-N 3.34Å; F1098-S1101 WeakPolarHBondContact CA-OG 3.43Å; F1098-S1101 CarbonylContact O-C 3.56Å; F1098-S1101 PolarHBondContact O-N 2.95Å; F1098-S1101 PolarHBondContact O-OG 2.86Å; F1098-Q1102 HydrophobicContact CD1-CG 4.49Å; F1098-Q1102 HydrophobicContact CE1-CG 4.24Å; F1098-Q1102 HydrophobicContact CZ-CG 4.32Å; F1098-Q1102 WeakPolarHBondContact O-CG 3.24Å; F1098-Q1102 PolarHBondContact O-N 2.77Å |
| 1099 | E | 86.7 | Confident | 83.5 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 171.7 | -73.3 | 167.4 | 177.8 | 0 | 0 | 110.9 | L1095 K1096 S1101 Q1102 Q1103 | L1095-E1099 WeakPolarHBondContact O-CB 3.39Å; L1095-E1099 VanDerWaalsContact O-CG 3.26Å; L1095-E1099 WeakPolarHBondContact O-CG 3.44Å; L1095-E1099 PolarHBondContact O-N 3.24Å; K1096-E1099 PolarHBondContact O-N 3.29Å; E1099-S1101 VanDerWaalsContact C-N 3.33Å; E1099-S1101 PolarHBondContact O-N 2.9Å; E1099-Q1102 PolarHBondContact O-N 2.79Å; E1099-Q1103 WeakPolarHBondContact O-CB 3.32Å; E1099-Q1103 PolarHBondContact O-N 3.28Å |
| 1100 | E | 83.7 | Confident | 83.7 | Confident | 85 Ų | 85 | 99 Ų | 99 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 172.1 | -75.3 | 166.7 | 177.8 | 0 | 0 | 111.6 | K1096 T1104 | K1096-E1100 IonicContact NZ-OE1 2.64Å; K1096-E1100 PolarHBondContact NZ-OE1 3.48Å; K1096-E1100 VanDerWaalsContact O-CB 3.26Å; K1096-E1100 WeakPolarHBondContact O-CB 3.18Å; K1096-E1100 WeakPolarHBondContact O-CG 3.32Å; K1096-E1100 PolarHBondContact O-N 2.84Å; E1100-T1104 VanDerWaalsContact O-CB 3.3Å; E1100-T1104 WeakPolarHBondContact O-CB 3.32Å; E1100-T1104 PolarHBondContact O-N 3Å; E1100-T1104 PolarHBondContact O-OG1 2.89Å |
| 1101 | S | 77.5 | Confident | 83.8 | Confident | 46 Ų | 46 | 100.4 Ų | 100.4 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 174.1 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | L1097 F1098 E1099 T1104 I1105 | L1097-S1101 VanDerWaalsContact O-CB 3.26Å; L1097-S1101 WeakPolarHBondContact O-CB 3.21Å; L1097-S1101 PolarHBondContact O-N 3.31Å; L1097-S1101 PolarHBondContact O-OG 3.25Å; F1098-S1101 WeakPolarHBondContact CA-OG 3.43Å; F1098-S1101 CarbonylContact O-C 3.56Å; F1098-S1101 PolarHBondContact O-N 2.95Å; F1098-S1101 PolarHBondContact O-OG 2.86Å; E1099-S1101 VanDerWaalsContact C-N 3.33Å; E1099-S1101 PolarHBondContact O-N 2.9Å; S1101-T1104 PolarHBondContact O-N 3.1Å; S1101-I1105 WeakPolarHBondContact O-CB 3.37Å; S1101-I1105 WeakPolarHBondContact O-CD1 3.49Å; S1101-I1105 WeakPolarHBondContact O-CG1 3.36Å; S1101-I1105 PolarHBondContact O-N 3.48Å |
| 1102 | Q | 84 | Confident | 83.9 | Confident | 112 Ų | 112 | 98.2 Ų | 98.2 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 176.3 | -75.7 | -156.8 | -4.1 | 0 | 0 | 111.6 | F1098 E1099 I1105 Y1106 | F1098-Q1102 HydrophobicContact CD1-CG 4.49Å; F1098-Q1102 HydrophobicContact CE1-CG 4.24Å; F1098-Q1102 HydrophobicContact CZ-CG 4.32Å; F1098-Q1102 WeakPolarHBondContact O-CG 3.24Å; F1098-Q1102 PolarHBondContact O-N 2.77Å; E1099-Q1102 PolarHBondContact O-N 2.79Å; Q1102-I1105 PolarHBondContact O-N 3.13Å; Q1102-Y1106 WeakPolarHBondContact O-CB 3.4Å; Q1102-Y1106 PolarHBondContact O-N 2.84Å |
| 1103 | Q | 83.7 | Confident | 84 | Confident | 100 Ų | 100 | 101 Ų | 101 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 172.4 | -174.9 | 58.6 | 52.4 | 0 | 0 | 110.6 | E1099 I1105 Y1106 D1107 | E1099-Q1103 WeakPolarHBondContact O-CB 3.32Å; E1099-Q1103 PolarHBondContact O-N 3.28Å; Q1103-I1105 PolarHBondContact O-N 2.85Å; Q1103-Y1106 WeakPolarHBondContact O-CB 3.45Å; Q1103-Y1106 PolarHBondContact O-N 3.06Å; Q1103-D1107 VanDerWaalsContact NE2-CG 3.25Å; Q1103-D1107 PolarHBondContact NE2-OD1 2.76Å; Q1103-D1107 VanDerWaalsContact NE2-OD1 3.15Å; Q1103-D1107 PolarHBondContact NE2-OD2 2.61Å; Q1103-D1107 PolarHBondContact O-N 3.38Å |
| 1104 | T | 83.9 | Confident | 84 | Confident | 81 Ų | 81 | 102.2 Ų | 102.2 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 175.1 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | E1100 S1101 D1107 L1108 | E1100-T1104 VanDerWaalsContact O-CB 3.3Å; E1100-T1104 WeakPolarHBondContact O-CB 3.32Å; E1100-T1104 PolarHBondContact O-N 3Å; E1100-T1104 PolarHBondContact O-OG1 2.89Å; S1101-T1104 PolarHBondContact O-N 3.1Å; T1104-D1107 PolarHBondContact O-N 2.83Å; T1104-L1108 HydrophobicContact CG2-CD1 3.97Å; T1104-L1108 HydrophobicContact CG2-CG 4.4Å; T1104-L1108 VanDerWaalsContact O-CB 3.27Å; T1104-L1108 WeakPolarHBondContact O-CB 3.45Å; T1104-L1108 WeakPolarHBondContact O-CG 3.45Å; T1104-L1108 PolarHBondContact O-N 3.06Å |
| 1105 | I | 83.8 | Confident | 84.1 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 175.1 | -72.3 | 162.6 | 0 | 0 | 0 | 111.1 | S1101 Q1102 Q1103 N1109 | S1101-I1105 WeakPolarHBondContact O-CB 3.37Å; S1101-I1105 WeakPolarHBondContact O-CD1 3.49Å; S1101-I1105 WeakPolarHBondContact O-CG1 3.36Å; S1101-I1105 PolarHBondContact O-N 3.48Å; Q1102-I1105 PolarHBondContact O-N 3.13Å; Q1103-I1105 PolarHBondContact O-N 2.85Å; I1105-N1109 VanDerWaalsContact O-CB 3.29Å; I1105-N1109 WeakPolarHBondContact O-CB 3.33Å; I1105-N1109 PolarHBondContact O-N 3.31Å; I1105-N1109 PolarHBondContact O-ND2 3.44Å |
| 1106 | Y | 87.8 | Confident | 84.1 | Confident | 146 Ų | 146 | 100.6 Ų | 100.6 | 57% | 0.573 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -46 | 175.9 | 178.3 | -93.6 | 0 | 0 | 0 | 111.8 | Q1102 Q1103 N1109 K1110 | Q1102-Y1106 WeakPolarHBondContact O-CB 3.4Å; Q1102-Y1106 PolarHBondContact O-N 2.84Å; Q1103-Y1106 WeakPolarHBondContact O-CB 3.45Å; Q1103-Y1106 PolarHBondContact O-N 3.06Å; Y1106-N1109 PolarHBondContact O-N 2.83Å; Y1106-K1110 WeakPolarHBondContact O-CB 3.48Å; Y1106-K1110 PolarHBondContact O-N 3.44Å |
| 1107 | D | 86.3 | Confident | 84 | Confident | 66 Ų | 66 | 101.9 Ų | 101.9 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.4 | -32.1 | 178.6 | -67 | -35.9 | 0 | 0 | 0 | 112.3 | Q1103 T1104 Q1111 | Q1103-D1107 VanDerWaalsContact NE2-CG 3.25Å; Q1103-D1107 PolarHBondContact NE2-OD1 2.76Å; Q1103-D1107 VanDerWaalsContact NE2-OD1 3.15Å; Q1103-D1107 PolarHBondContact NE2-OD2 2.61Å; Q1103-D1107 PolarHBondContact O-N 3.38Å; T1104-D1107 PolarHBondContact O-N 2.83Å; D1107-Q1111 WeakPolarHBondContact O-CG 3.35Å; D1107-Q1111 PolarHBondContact O-N 2.78Å; D1107-Q1111 PolarHBondContact O-NE2 2.93Å |
| 1108 | L | 87 | Confident | 84.2 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 169.6 | -75.8 | 171 | 0 | 0 | 0 | 112.1 | T1104 K1110 Q1111 L1112 | T1104-L1108 HydrophobicContact CG2-CD1 3.97Å; T1104-L1108 HydrophobicContact CG2-CG 4.4Å; T1104-L1108 VanDerWaalsContact O-CB 3.27Å; T1104-L1108 WeakPolarHBondContact O-CB 3.45Å; T1104-L1108 WeakPolarHBondContact O-CG 3.45Å; T1104-L1108 PolarHBondContact O-N 3.06Å; L1108-K1110 VanDerWaalsContact C-N 3.31Å; L1108-K1110 PolarHBondContact O-N 3.24Å; L1108-Q1111 PolarHBondContact O-N 2.84Å; L1108-L1112 WeakPolarHBondContact O-CB 3.47Å; L1108-L1112 PolarHBondContact O-N 3.24Å |
| 1109 | N | 85.5 | Confident | 84 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 175 | -76.9 | -20.5 | 0 | 0 | 0 | 111.4 | I1105 Y1106 L1112 E1113 | I1105-N1109 VanDerWaalsContact O-CB 3.29Å; I1105-N1109 WeakPolarHBondContact O-CB 3.33Å; I1105-N1109 PolarHBondContact O-N 3.31Å; I1105-N1109 PolarHBondContact O-ND2 3.44Å; Y1106-N1109 PolarHBondContact O-N 2.83Å; N1109-L1112 WeakPolarHBondContact O-CB 3.28Å; N1109-L1112 PolarHBondContact O-N 2.86Å; N1109-E1113 WeakPolarHBondContact O-CB 3.35Å; N1109-E1113 PolarHBondContact O-N 3.34Å |
| 1110 | K | 87.1 | Confident | 83.8 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -34.3 | 175.4 | -170 | 178.3 | 179.5 | -174.5 | 0 | 112.7 | Y1106 L1108 L1114 | Y1106-K1110 WeakPolarHBondContact O-CB 3.48Å; Y1106-K1110 PolarHBondContact O-N 3.44Å; L1108-K1110 VanDerWaalsContact C-N 3.31Å; L1108-K1110 PolarHBondContact O-N 3.24Å; K1110-L1114 PolarHBondContact O-N 3.19Å; K1110-L1114 VanDerWaalsContact O-N 3.16Å |
| 1111 | Q | 84.1 | Confident | 83.8 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 170.3 | -76.6 | 174.1 | 65.4 | 0 | 0 | 111.7 | D1107 L1108 L1114 I1115 | D1107-Q1111 WeakPolarHBondContact O-CG 3.35Å; D1107-Q1111 PolarHBondContact O-N 2.78Å; D1107-Q1111 PolarHBondContact O-NE2 2.93Å; L1108-Q1111 PolarHBondContact O-N 2.84Å; Q1111-L1114 PolarHBondContact O-N 2.78Å; Q1111-I1115 WeakPolarHBondContact O-CB 3.26Å; Q1111-I1115 WeakPolarHBondContact O-CD1 3.45Å; Q1111-I1115 WeakPolarHBondContact O-CG1 3.21Å; Q1111-I1115 PolarHBondContact O-N 3.23Å |
| 1112 | L | 82.3 | Confident | 83.9 | Confident | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 172.6 | -83.6 | 162.8 | 0 | 0 | 0 | 111.6 | L1108 N1109 L1114 I1115 T1116 | L1108-L1112 WeakPolarHBondContact O-CB 3.47Å; L1108-L1112 PolarHBondContact O-N 3.24Å; N1109-L1112 WeakPolarHBondContact O-CB 3.28Å; N1109-L1112 PolarHBondContact O-N 2.86Å; L1112-L1114 PolarHBondContact O-N 3.27Å; L1112-I1115 CarbonylContact O-C 3.6Å; L1112-I1115 PolarHBondContact O-N 2.84Å; L1112-T1116 WeakPolarHBondContact O-CB 3.45Å; L1112-T1116 PolarHBondContact O-N 3.25Å; L1112-T1116 PolarHBondContact O-OG1 3.43Å |
| 1113 | E | 84.7 | Confident | 83.7 | Confident | 142 Ų | 142 | 104 Ų | 104 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -45.1 | 176.7 | -170.1 | 170.1 | -141.4 | 0 | 0 | 111.8 | N1109 T1116 E1117 | N1109-E1113 WeakPolarHBondContact O-CB 3.35Å; N1109-E1113 PolarHBondContact O-N 3.34Å; E1113-T1116 PolarHBondContact O-N 3.37Å; E1113-E1117 PolarHBondContact O-N 3.48Å |
| 1114 | L | 84.1 | Confident | 83.8 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 173.7 | -76.3 | 165.5 | 0 | 0 | 0 | 113.3 | K1110 Q1111 L1112 K1118 | K1110-L1114 PolarHBondContact O-N 3.19Å; K1110-L1114 VanDerWaalsContact O-N 3.16Å; Q1111-L1114 PolarHBondContact O-N 2.78Å; L1112-L1114 PolarHBondContact O-N 3.27Å; L1114-K1118 WeakPolarHBondContact O-CB 3.4Å; L1114-K1118 PolarHBondContact O-N 2.91Å |
| 1115 | I | 81 | Confident | 83.5 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 174.7 | -71.6 | 164.1 | 0 | 0 | 0 | 110.3 | Q1111 L1112 K1118 S1119 | Q1111-I1115 WeakPolarHBondContact O-CB 3.26Å; Q1111-I1115 WeakPolarHBondContact O-CD1 3.45Å; Q1111-I1115 WeakPolarHBondContact O-CG1 3.21Å; Q1111-I1115 PolarHBondContact O-N 3.23Å; L1112-I1115 CarbonylContact O-C 3.6Å; L1112-I1115 PolarHBondContact O-N 2.84Å; I1115-K1118 PolarHBondContact O-N 3.32Å; I1115-S1119 WeakPolarHBondContact O-CB 3.44Å; I1115-S1119 PolarHBondContact O-N 3.21Å |
| 1116 | T | 83.2 | Confident | 83.2 | Confident | 74 Ų | 74 | 105.7 Ų | 105.7 | 45% | 0.454 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 174.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | L1112 E1113 S1119 N1120 | L1112-T1116 WeakPolarHBondContact O-CB 3.45Å; L1112-T1116 PolarHBondContact O-N 3.25Å; L1112-T1116 PolarHBondContact O-OG1 3.43Å; E1113-T1116 PolarHBondContact O-N 3.37Å; T1116-S1119 PolarHBondContact O-N 3.13Å; T1116-N1120 WeakPolarHBondContact O-CB 3.4Å; T1116-N1120 PolarHBondContact O-N 2.88Å; T1116-N1120 PolarHBondContact O-ND2 2.86Å |
| 1117 | E | 83.8 | Confident | 82.7 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -45.1 | 173.4 | -172.4 | 177.7 | -158.7 | 0 | 0 | 111.4 | E1113 S1119 N1120 R1121 | E1113-E1117 PolarHBondContact O-N 3.48Å; E1117-S1119 PolarHBondContact O-N 3.03Å; E1117-N1120 PolarHBondContact O-N 2.72Å; E1117-R1121 WeakPolarHBondContact O-CB 3.44Å; E1117-R1121 PolarHBondContact O-N 3.49Å |
| 1118 | K | 83.6 | Confident | 82.5 | Confident | 143 Ų | 143 | 103.3 Ų | 103.3 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 174.9 | -169.5 | -177.1 | 178.4 | -169.3 | 0 | 112.1 | L1114 I1115 R1121 L1122 | L1114-K1118 WeakPolarHBondContact O-CB 3.4Å; L1114-K1118 PolarHBondContact O-N 2.91Å; I1115-K1118 PolarHBondContact O-N 3.32Å; K1118-R1121 PolarHBondContact O-N 3.39Å; K1118-L1122 HydrophobicContact CG-CD1 4.15Å; K1118-L1122 WeakPolarHBondContact O-CB 3.3Å; K1118-L1122 WeakPolarHBondContact O-CG 3.4Å; K1118-L1122 PolarHBondContact O-N 3.34Å |
| 1119 | S | 79.9 | Confident | 82.1 | Confident | 67 Ų | 67 | 106.2 Ų | 106.2 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | I1115 T1116 E1117 R1121 L1122 S1123 | I1115-S1119 WeakPolarHBondContact O-CB 3.44Å; I1115-S1119 PolarHBondContact O-N 3.21Å; T1116-S1119 PolarHBondContact O-N 3.13Å; E1117-S1119 PolarHBondContact O-N 3.03Å; S1119-R1121 VanDerWaalsContact C-N 3.27Å; S1119-R1121 PolarHBondContact O-N 2.94Å; S1119-L1122 PolarHBondContact O-N 3.13Å; S1119-S1123 VanDerWaalsContact O-CB 3.28Å; S1119-S1123 WeakPolarHBondContact O-CB 3.33Å; S1119-S1123 PolarHBondContact O-N 2.85Å |
| 1120 | N | 82.7 | Confident | 81.6 | Confident | 105 Ų | 105 | 107 Ų | 107 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.2 | -38 | 174.9 | -70.7 | -20.7 | 0 | 0 | 0 | 111.7 | T1116 E1117 K1124 | T1116-N1120 WeakPolarHBondContact O-CB 3.4Å; T1116-N1120 PolarHBondContact O-N 2.88Å; T1116-N1120 PolarHBondContact O-ND2 2.86Å; E1117-N1120 PolarHBondContact O-N 2.72Å; N1120-K1124 WeakPolarHBondContact O-CB 3.25Å; N1120-K1124 PolarHBondContact O-N 2.77Å |
| 1121 | R | 84 | Confident | 81.3 | Confident | 165 Ų | 165 | 105.1 Ų | 105.1 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.1 | -46.6 | 175.5 | -178.1 | 173.7 | 172.5 | 171.1 | -1.2 | 112.3 | E1117 K1118 S1119 S1123 K1124 E1125 | E1117-R1121 WeakPolarHBondContact O-CB 3.44Å; E1117-R1121 PolarHBondContact O-N 3.49Å; K1118-R1121 PolarHBondContact O-N 3.39Å; S1119-R1121 VanDerWaalsContact C-N 3.27Å; S1119-R1121 PolarHBondContact O-N 2.94Å; R1121-S1123 VanDerWaalsContact C-N 3.32Å; R1121-S1123 PolarHBondContact O-N 3.2Å; R1121-K1124 PolarHBondContact O-N 3.49Å; R1121-E1125 WeakPolarHBondContact CG-OE1 3.28Å; R1121-E1125 IonicContact CZ-OE1 2.68Å; R1121-E1125 IonicContact NE-OE1 3.98Å; R1121-E1125 PolarHBondContact NE-OE1 3.39Å; R1121-E1125 IonicContact NH2-OE1 2.71Å; R1121-E1125 PolarHBondContact NH2-OE1 3.37Å; R1121-E1125 WeakPolarHBondContact O-CB 3.45Å; R1121-E1125 WeakPolarHBondContact O-CG 3.23Å; R1121-E1125 PolarHBondContact O-N 3.23Å |
| 1122 | L | 80.3 | Confident | 81.1 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.2 | -75.6 | 169.8 | 0 | 0 | 0 | 111.8 | K1118 S1119 E1125 L1126 | K1118-L1122 HydrophobicContact CG-CD1 4.15Å; K1118-L1122 WeakPolarHBondContact O-CB 3.3Å; K1118-L1122 WeakPolarHBondContact O-CG 3.4Å; K1118-L1122 PolarHBondContact O-N 3.34Å; S1119-L1122 PolarHBondContact O-N 3.13Å; L1122-E1125 PolarHBondContact O-N 2.81Å; L1122-L1126 WeakPolarHBondContact O-CB 3.4Å; L1122-L1126 PolarHBondContact O-N 2.8Å |
| 1123 | S | 80.1 | Confident | 80.8 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | S1119 R1121 L1126 T1127 | S1119-S1123 VanDerWaalsContact O-CB 3.28Å; S1119-S1123 WeakPolarHBondContact O-CB 3.33Å; S1119-S1123 PolarHBondContact O-N 2.85Å; R1121-S1123 VanDerWaalsContact C-N 3.32Å; R1121-S1123 PolarHBondContact O-N 3.2Å; S1123-L1126 WeakPolarHBondContact O-CB 3.35Å; S1123-L1126 PolarHBondContact O-N 2.9Å; S1123-T1127 WeakPolarHBondContact O-CG2 3.37Å; S1123-T1127 PolarHBondContact O-N 3.29Å; S1123-T1127 PolarHBondContact O-OG1 3.36Å |
| 1124 | K | 83.7 | Confident | 80.4 | Confident | 117 Ų | 117 | 102 Ų | 102 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 173.3 | -173.2 | 172.6 | -179.1 | -68.1 | 0 | 112 | N1120 R1121 L1126 T1127 E1128 | N1120-K1124 WeakPolarHBondContact O-CB 3.25Å; N1120-K1124 PolarHBondContact O-N 2.77Å; R1121-K1124 PolarHBondContact O-N 3.49Å; K1124-L1126 PolarHBondContact O-N 3.29Å; K1124-T1127 PolarHBondContact O-N 3.2Å; K1124-T1127 PolarHBondContact O-OG1 2.76Å; K1124-E1128 IonicContact NZ-OE1 2.62Å; K1124-E1128 PolarHBondContact NZ-OE1 2.98Å; K1124-E1128 IonicContact NZ-OE2 3.92Å; K1124-E1128 WeakPolarHBondContact O-CG 3.1Å; K1124-E1128 PolarHBondContact O-N 2.8Å |
| 1125 | E | 78.7 | Confident | 80.3 | Confident | 78 Ų | 78 | 102 Ų | 102 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -29.2 | 177 | -70.1 | 174 | -167.1 | 0 | 0 | 111.9 | R1121 L1122 K1129 | R1121-E1125 WeakPolarHBondContact CG-OE1 3.28Å; R1121-E1125 IonicContact CZ-OE1 2.68Å; R1121-E1125 IonicContact NE-OE1 3.98Å; R1121-E1125 PolarHBondContact NE-OE1 3.39Å; R1121-E1125 IonicContact NH2-OE1 2.71Å; R1121-E1125 PolarHBondContact NH2-OE1 3.37Å; R1121-E1125 WeakPolarHBondContact O-CB 3.45Å; R1121-E1125 WeakPolarHBondContact O-CG 3.23Å; R1121-E1125 PolarHBondContact O-N 3.23Å; L1122-E1125 PolarHBondContact O-N 2.81Å; E1125-K1129 WeakPolarHBondContact O-CG 3.44Å; E1125-K1129 PolarHBondContact O-N 3.35Å; E1125-K1129 VanDerWaalsContact O-N 3.1Å |
| 1126 | L | 77.5 | Confident | 80.1 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -53 | 167.8 | -95.2 | 160.2 | 0 | 0 | 0 | 111.9 | L1122 S1123 K1124 E1128 K1129 E1130 | L1122-L1126 WeakPolarHBondContact O-CB 3.4Å; L1122-L1126 PolarHBondContact O-N 2.8Å; S1123-L1126 WeakPolarHBondContact O-CB 3.35Å; S1123-L1126 PolarHBondContact O-N 2.9Å; K1124-L1126 PolarHBondContact O-N 3.29Å; L1126-E1128 PolarHBondContact O-N 2.84Å; L1126-K1129 CarbonylContact O-C 3.53Å; L1126-K1129 WeakPolarHBondContact O-CA 3.44Å; L1126-K1129 WeakPolarHBondContact O-CB 3.4Å; L1126-K1129 PolarHBondContact O-N 2.84Å; L1126-E1130 VanDerWaalsContact O-CB 3.3Å; L1126-E1130 WeakPolarHBondContact O-CB 3.48Å; L1126-E1130 PolarHBondContact O-N 3.14Å |
| 1127 | T | 78 | Confident | 79.7 | Confident | 65 Ų | 65 | 101.7 Ų | 101.7 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 178.7 | 57.2 | 0 | 0 | 0 | 0 | 113 | S1123 K1124 T1131 | S1123-T1127 WeakPolarHBondContact O-CG2 3.37Å; S1123-T1127 PolarHBondContact O-N 3.29Å; S1123-T1127 PolarHBondContact O-OG1 3.36Å; K1124-T1127 PolarHBondContact O-N 3.2Å; K1124-T1127 PolarHBondContact O-OG1 2.76Å; T1127-T1131 WeakPolarHBondContact O-CB 3.47Å; T1127-T1131 WeakPolarHBondContact O-CG2 3.09Å; T1127-T1131 PolarHBondContact O-N 3.12Å; T1127-T1131 PolarHBondContact O-OG1 3.5Å |
| 1128 | E | 80.7 | Confident | 79.4 | Confident | 97 Ų | 97 | 100.3 Ų | 100.3 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 172.6 | -74.1 | 177.2 | 179.9 | 0 | 0 | 111.7 | K1124 L1126 T1131 V1132 | K1124-E1128 IonicContact NZ-OE1 2.62Å; K1124-E1128 PolarHBondContact NZ-OE1 2.98Å; K1124-E1128 IonicContact NZ-OE2 3.92Å; K1124-E1128 WeakPolarHBondContact O-CG 3.1Å; K1124-E1128 PolarHBondContact O-N 2.8Å; L1126-E1128 PolarHBondContact O-N 2.84Å; E1128-T1131 PolarHBondContact O-OG1 3.41Å; E1128-T1131 VanDerWaalsContact O-OG1 3.09Å; E1128-V1132 WeakPolarHBondContact O-CG2 3.19Å; E1128-V1132 PolarHBondContact O-N 3.28Å; E1128-V1132 VanDerWaalsContact O-N 3.17Å |
| 1129 | K | 79.3 | Confident | 79 | Confident | 151 Ų | 151 | 99.3 Ų | 99.3 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -39.4 | 171.2 | -78.2 | -179.8 | 175.7 | -177.8 | 0 | 112.6 | E1125 L1126 V1132 L1133 | E1125-K1129 WeakPolarHBondContact O-CG 3.44Å; E1125-K1129 PolarHBondContact O-N 3.35Å; E1125-K1129 VanDerWaalsContact O-N 3.1Å; L1126-K1129 CarbonylContact O-C 3.53Å; L1126-K1129 WeakPolarHBondContact O-CA 3.44Å; L1126-K1129 WeakPolarHBondContact O-CB 3.4Å; L1126-K1129 PolarHBondContact O-N 2.84Å; K1129-V1132 PolarHBondContact O-N 3.4Å; K1129-L1133 WeakPolarHBondContact O-CB 3.4Å; K1129-L1133 PolarHBondContact O-N 3.48Å |
| 1130 | E | 75.8 | Confident | 78.6 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | -178.6 | -173.6 | 174.9 | -150.9 | 0 | 0 | 111.7 | L1126 L1133 N1134 | L1126-E1130 VanDerWaalsContact O-CB 3.3Å; L1126-E1130 WeakPolarHBondContact O-CB 3.48Å; L1126-E1130 PolarHBondContact O-N 3.14Å; E1130-L1133 PolarHBondContact O-N 2.9Å; E1130-N1134 WeakPolarHBondContact O-CB 3.27Å; E1130-N1134 PolarHBondContact O-N 3.4Å; E1130-N1134 PolarHBondContact O-ND2 3.24Å |
| 1131 | T | 79.4 | Confident | 78.3 | Confident | 78 Ų | 78 | 98 Ų | 98 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 171.3 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | T1127 E1128 N1135 | T1127-T1131 WeakPolarHBondContact O-CB 3.47Å; T1127-T1131 WeakPolarHBondContact O-CG2 3.09Å; T1127-T1131 PolarHBondContact O-N 3.12Å; T1127-T1131 PolarHBondContact O-OG1 3.5Å; E1128-T1131 PolarHBondContact O-OG1 3.41Å; E1128-T1131 VanDerWaalsContact O-OG1 3.09Å; T1131-N1135 WeakPolarHBondContact O-CB 3.42Å; T1131-N1135 PolarHBondContact O-N 2.72Å; T1131-N1135 PolarHBondContact O-ND2 3.49Å |
| 1132 | V | 81 | Confident | 78.3 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 171.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | E1128 K1129 N1135 T1136 | E1128-V1132 WeakPolarHBondContact O-CG2 3.19Å; E1128-V1132 PolarHBondContact O-N 3.28Å; E1128-V1132 VanDerWaalsContact O-N 3.17Å; K1129-V1132 PolarHBondContact O-N 3.4Å; V1132-N1135 PolarHBondContact O-N 3.46Å; V1132-T1136 PolarHBondContact O-N 3.36Å; V1132-T1136 PolarHBondContact O-OG1 3.09Å |
| 1133 | L | 75.1 | Confident | 78.2 | Confident | 110 Ų | 110 | 94.5 Ų | 94.5 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.7 | -47.7 | 178.7 | -177.1 | 63.9 | 0 | 0 | 0 | 111.5 | K1129 E1130 N1135 T1136 L1137 | K1129-L1133 WeakPolarHBondContact O-CB 3.4Å; K1129-L1133 PolarHBondContact O-N 3.48Å; E1130-L1133 PolarHBondContact O-N 2.9Å; L1133-N1135 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 2.73Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; L1133-T1136 CarbonylContact O-C 3.55Å; L1133-T1136 PolarHBondContact O-N 3.45Å; L1133-T1136 VanDerWaalsContact O-N 3.15Å; L1133-T1136 PolarHBondContact O-OG1 3.28Å; L1133-L1137 WeakPolarHBondContact O-CB 3.35Å; L1133-L1137 PolarHBondContact O-N 3.41Å |
| 1134 | N | 77.3 | Confident | 78 | Confident | 83 Ų | 83 | 95.4 Ų | 95.4 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 177.7 | -70.8 | -22.7 | 0 | 0 | 0 | 111.9 | E1130 L1137 E1138 | E1130-N1134 WeakPolarHBondContact O-CB 3.27Å; E1130-N1134 PolarHBondContact O-N 3.4Å; E1130-N1134 PolarHBondContact O-ND2 3.24Å; N1134-L1137 PolarHBondContact O-N 3.37Å; N1134-E1138 PolarHBondContact O-N 2.74Å |
| 1135 | N | 81.4 | Confident | 77.7 | Confident | 101 Ų | 101 | 93.3 Ų | 93.3 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 172.5 | -70.4 | -29.3 | 0 | 0 | 0 | 111.7 | T1131 V1132 L1133 L1137 E1138 E1139 | T1131-N1135 WeakPolarHBondContact O-CB 3.42Å; T1131-N1135 PolarHBondContact O-N 2.72Å; T1131-N1135 PolarHBondContact O-ND2 3.49Å; V1132-N1135 PolarHBondContact O-N 3.46Å; L1133-N1135 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 2.73Å; N1135-L1137 VanDerWaalsContact C-N 3.32Å; N1135-L1137 PolarHBondContact O-N 3.5Å; N1135-E1138 PolarHBondContact O-N 2.8Å; N1135-E1139 PolarHBondContact O-N 3.49Å |
| 1136 | T | 77.7 | Confident | 77.7 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -28.8 | 175.5 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | V1132 L1133 S1140 | V1132-T1136 PolarHBondContact O-N 3.36Å; V1132-T1136 PolarHBondContact O-OG1 3.09Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; L1133-T1136 CarbonylContact O-C 3.55Å; L1133-T1136 PolarHBondContact O-N 3.45Å; L1133-T1136 VanDerWaalsContact O-N 3.15Å; L1133-T1136 PolarHBondContact O-OG1 3.28Å; T1136-S1140 WeakPolarHBondContact O-CB 3.39Å; T1136-S1140 PolarHBondContact O-N 2.77Å |
| 1137 | L | 74.8 | Confident | 77.6 | Confident | 93 Ų | 93 | 92.1 Ų | 92.1 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -44.7 | 172.9 | -171.9 | 63.5 | 0 | 0 | 0 | 110.7 | L1133 N1134 N1135 E1139 S1140 D1141 | L1133-L1137 WeakPolarHBondContact O-CB 3.35Å; L1133-L1137 PolarHBondContact O-N 3.41Å; N1134-L1137 PolarHBondContact O-N 3.37Å; N1135-L1137 VanDerWaalsContact C-N 3.32Å; N1135-L1137 PolarHBondContact O-N 3.5Å; L1137-E1139 VanDerWaalsContact C-N 3.26Å; L1137-E1139 PolarHBondContact O-N 3.19Å; L1137-S1140 CarbonylContact O-C 3.56Å; L1137-S1140 WeakPolarHBondContact O-CA 3.21Å; L1137-S1140 WeakPolarHBondContact O-CB 3.34Å; L1137-S1140 PolarHBondContact O-N 3.3Å; L1137-D1141 PolarHBondContact O-N 2.72Å |
| 1138 | E | 77.1 | Confident | 77.5 | Confident | 108 Ų | 108 | 92.9 Ų | 92.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -31.2 | 174.2 | -156.2 | -159.7 | 121.4 | 0 | 0 | 112.1 | N1134 N1135 K1142 | N1134-E1138 PolarHBondContact O-N 2.74Å; N1135-E1138 PolarHBondContact O-N 2.8Å; E1138-K1142 VanDerWaalsContact CD-NZ 3.35Å; E1138-K1142 WeakPolarHBondContact O-CD 3.37Å; E1138-K1142 VanDerWaalsContact O-CE 3.3Å; E1138-K1142 WeakPolarHBondContact O-CE 3.26Å; E1138-K1142 WeakPolarHBondContact O-CG 3.34Å; E1138-K1142 PolarHBondContact O-N 2.85Å; E1138-K1142 PolarHBondContact O-NZ 3.42Å; E1138-K1142 WeakPolarHBondContact OE1-CE 3.45Å; E1138-K1142 IonicContact OE1-NZ 2.78Å; E1138-K1142 PolarHBondContact OE1-NZ 2.78Å |
| 1139 | E | 74.7 | Confident | 77.6 | Confident | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.8 | -41.7 | 170.4 | -148.3 | 78.8 | -102.3 | 0 | 0 | 111.4 | N1135 L1137 K1142 V1143 | N1135-E1139 PolarHBondContact O-N 3.49Å; L1137-E1139 VanDerWaalsContact C-N 3.26Å; L1137-E1139 PolarHBondContact O-N 3.19Å; E1139-K1142 PolarHBondContact O-N 2.8Å; E1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; E1139-V1143 PolarHBondContact O-N 3.48Å; E1139-V1143 VanDerWaalsContact O-N 3.11Å |
| 1140 | S | 71.6 | Confident | 77.7 | Confident | 58 Ų | 58 | 88.4 Ų | 88.4 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 175.2 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | T1136 L1137 K1142 V1143 V1144 | T1136-S1140 WeakPolarHBondContact O-CB 3.39Å; T1136-S1140 PolarHBondContact O-N 2.77Å; L1137-S1140 CarbonylContact O-C 3.56Å; L1137-S1140 WeakPolarHBondContact O-CA 3.21Å; L1137-S1140 WeakPolarHBondContact O-CB 3.34Å; L1137-S1140 PolarHBondContact O-N 3.3Å; S1140-K1142 VanDerWaalsContact C-N 3.29Å; S1140-K1142 PolarHBondContact O-N 3.21Å; S1140-V1143 CarbonylContact O-C 3.49Å; S1140-V1143 WeakPolarHBondContact O-CA 3.42Å; S1140-V1143 WeakPolarHBondContact O-CB 3.42Å; S1140-V1143 PolarHBondContact O-N 2.84Å; S1140-V1144 WeakPolarHBondContact O-CG2 3.28Å; S1140-V1144 PolarHBondContact O-N 3.29Å |
| 1141 | D | 76.6 | Confident | 77.5 | Confident | 87 Ų | 87 | 90 Ų | 90 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -33.2 | 179 | -71.2 | -19.2 | 0 | 0 | 0 | 112.2 | L1137 S1145 | L1137-D1141 PolarHBondContact O-N 2.72Å; D1141-S1145 VanDerWaalsContact O-CB 3.25Å; D1141-S1145 WeakPolarHBondContact O-CB 3.48Å; D1141-S1145 PolarHBondContact O-N 3.36Å; D1141-S1145 PolarHBondContact O-OG 3Å |
| 1142 | K | 82.8 | Confident | 77.5 | Confident | 94 Ų | 94 | 91.4 Ų | 91.4 | 41% | 0.409 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 170.5 | -69.8 | 159.9 | -163.3 | 145.8 | 0 | 111.8 | E1138 E1139 S1140 S1146 | E1138-K1142 VanDerWaalsContact CD-NZ 3.35Å; E1138-K1142 WeakPolarHBondContact O-CD 3.37Å; E1138-K1142 VanDerWaalsContact O-CE 3.3Å; E1138-K1142 WeakPolarHBondContact O-CE 3.26Å; E1138-K1142 WeakPolarHBondContact O-CG 3.34Å; E1138-K1142 PolarHBondContact O-N 2.85Å; E1138-K1142 PolarHBondContact O-NZ 3.42Å; E1138-K1142 WeakPolarHBondContact OE1-CE 3.45Å; E1138-K1142 IonicContact OE1-NZ 2.78Å; E1138-K1142 PolarHBondContact OE1-NZ 2.78Å; E1139-K1142 PolarHBondContact O-N 2.8Å; S1140-K1142 VanDerWaalsContact C-N 3.29Å; S1140-K1142 PolarHBondContact O-N 3.21Å; K1142-S1146 WeakPolarHBondContact O-CB 3.17Å; K1142-S1146 PolarHBondContact O-N 2.82Å |
| 1143 | V | 79.3 | Confident | 77.5 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111.1 | E1139 S1140 S1146 L1147 | E1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; E1139-V1143 PolarHBondContact O-N 3.48Å; E1139-V1143 VanDerWaalsContact O-N 3.11Å; S1140-V1143 CarbonylContact O-C 3.49Å; S1140-V1143 WeakPolarHBondContact O-CA 3.42Å; S1140-V1143 WeakPolarHBondContact O-CB 3.42Å; S1140-V1143 PolarHBondContact O-N 2.84Å; V1143-S1146 PolarHBondContact O-N 2.82Å; V1143-L1147 HydrophobicContact CG1-CD1 4.03Å; V1143-L1147 WeakPolarHBondContact O-CB 3.4Å; V1143-L1147 WeakPolarHBondContact O-CG 3.3Å; V1143-L1147 PolarHBondContact O-N 2.86Å |
| 1144 | V | 75.1 | Confident | 77.6 | Confident | 84 Ų | 84 | 92.8 Ų | 92.8 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | S1140 S1146 L1147 N1148 | S1140-V1144 WeakPolarHBondContact O-CG2 3.28Å; S1140-V1144 PolarHBondContact O-N 3.29Å; V1144-S1146 VanDerWaalsContact C-N 3.34Å; V1144-S1146 PolarHBondContact O-N 3.22Å; V1144-L1147 PolarHBondContact O-N 3.44Å; V1144-L1147 VanDerWaalsContact O-N 3.14Å; V1144-N1148 PolarHBondContact O-N 3.18Å |
| 1145 | S | 77.9 | Confident | 77.5 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 51% | 0.51 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 174.6 | -61 | 0 | 0 | 0 | 0 | 111.4 | D1141 L1147 N1148 T1149 | D1141-S1145 VanDerWaalsContact O-CB 3.25Å; D1141-S1145 WeakPolarHBondContact O-CB 3.48Å; D1141-S1145 PolarHBondContact O-N 3.36Å; D1141-S1145 PolarHBondContact O-OG 3Å; S1145-L1147 VanDerWaalsContact C-N 3.31Å; S1145-L1147 PolarHBondContact O-N 2.66Å; S1145-N1148 PolarHBondContact O-N 3.48Å; S1145-T1149 PolarHBondContact O-N 3.4Å; S1145-T1149 PolarHBondContact O-OG1 2.84Å |
| 1146 | S | 79.7 | Confident | 77.5 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 42% | 0.42 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -31.8 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | K1142 V1143 V1144 K1150 | K1142-S1146 WeakPolarHBondContact O-CB 3.17Å; K1142-S1146 PolarHBondContact O-N 2.82Å; V1143-S1146 PolarHBondContact O-N 2.82Å; V1144-S1146 VanDerWaalsContact C-N 3.34Å; V1144-S1146 PolarHBondContact O-N 3.22Å; S1146-K1150 WeakPolarHBondContact O-CG 3.21Å; S1146-K1150 PolarHBondContact O-N 3.41Å |
| 1147 | L | 74.5 | Confident | 77.6 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 56% | 0.555 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.2 | -40.9 | 174.5 | -75.1 | 169 | 0 | 0 | 0 | 111.3 | V1143 V1144 S1145 K1150 Y1151 | V1143-L1147 HydrophobicContact CG1-CD1 4.03Å; V1143-L1147 WeakPolarHBondContact O-CB 3.4Å; V1143-L1147 WeakPolarHBondContact O-CG 3.3Å; V1143-L1147 PolarHBondContact O-N 2.86Å; V1144-L1147 PolarHBondContact O-N 3.44Å; V1144-L1147 VanDerWaalsContact O-N 3.14Å; S1145-L1147 VanDerWaalsContact C-N 3.31Å; S1145-L1147 PolarHBondContact O-N 2.66Å; L1147-K1150 CarbonylContact O-C 3.45Å; L1147-K1150 WeakPolarHBondContact O-CB 3.4Å; L1147-K1150 PolarHBondContact O-N 2.87Å; L1147-K1150 VanDerWaalsContact O-N 3.12Å; L1147-Y1151 PolarHBondContact O-N 3.24Å |
| 1148 | N | 76.7 | Confident | 77.5 | Confident | 82 Ų | 82 | 93.9 Ų | 93.9 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.2 | -166.4 | 76.1 | 0 | 0 | 0 | 111.5 | V1144 S1145 K1150 Y1151 E1152 | V1144-N1148 PolarHBondContact O-N 3.18Å; S1145-N1148 PolarHBondContact O-N 3.48Å; N1148-K1150 VanDerWaalsContact C-N 3.26Å; N1148-K1150 PolarHBondContact O-N 3.33Å; N1148-Y1151 WeakPolarHBondContact O-CB 3.48Å; N1148-Y1151 PolarHBondContact O-N 3.38Å; N1148-Y1151 VanDerWaalsContact O-N 3.1Å; N1148-E1152 PolarHBondContact ND2-OE1 2.66Å; N1148-E1152 PolarHBondContact O-N 2.86Å |
| 1149 | T | 82.6 | Confident | 77.5 | Confident | 72 Ų | 72 | 94.5 Ų | 94.5 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -34.7 | 172.7 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | S1145 Q1153 | S1145-T1149 PolarHBondContact O-N 3.4Å; S1145-T1149 PolarHBondContact O-OG1 2.84Å; T1149-Q1153 VanDerWaalsContact O-CG 3.29Å; T1149-Q1153 WeakPolarHBondContact O-CG 3.38Å; T1149-Q1153 PolarHBondContact O-N 2.94Å |
| 1150 | K | 80.8 | Confident | 78 | Confident | 81 Ų | 81 | 94 Ų | 94 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.7 | -35.6 | 173.7 | -76.9 | -178.9 | 177.4 | -176.2 | 0 | 112.5 | S1146 L1147 N1148 Q1153 L1154 | S1146-K1150 WeakPolarHBondContact O-CG 3.21Å; S1146-K1150 PolarHBondContact O-N 3.41Å; L1147-K1150 CarbonylContact O-C 3.45Å; L1147-K1150 WeakPolarHBondContact O-CB 3.4Å; L1147-K1150 PolarHBondContact O-N 2.87Å; L1147-K1150 VanDerWaalsContact O-N 3.12Å; N1148-K1150 VanDerWaalsContact C-N 3.26Å; N1148-K1150 PolarHBondContact O-N 3.33Å; K1150-Q1153 PolarHBondContact O-N 3.09Å; K1150-L1154 WeakPolarHBondContact O-CB 3.35Å; K1150-L1154 PolarHBondContact O-N 3.37Å |
| 1151 | Y | 72.4 | Confident | 78.2 | Confident | 142 Ų | 142 | 95.5 Ų | 95.5 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -48.7 | 174.7 | 178.3 | -92.2 | 0 | 0 | 0 | 111.3 | L1147 N1148 Q1153 L1154 Q1155 | L1147-Y1151 PolarHBondContact O-N 3.24Å; N1148-Y1151 WeakPolarHBondContact O-CB 3.48Å; N1148-Y1151 PolarHBondContact O-N 3.38Å; N1148-Y1151 VanDerWaalsContact O-N 3.1Å; Y1151-Q1153 VanDerWaalsContact C-N 3.32Å; Y1151-Q1153 PolarHBondContact O-N 2.76Å; Y1151-L1154 PolarHBondContact O-N 2.82Å; Y1151-Q1155 WeakPolarHBondContact O-CB 3.46Å; Y1151-Q1155 PolarHBondContact O-N 3.46Å |
| 1152 | E | 78 | Confident | 78 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 175.9 | -71.2 | 172.8 | -170.1 | 0 | 0 | 112.3 | N1148 Q1155 S1156 | N1148-E1152 PolarHBondContact ND2-OE1 2.66Å; N1148-E1152 PolarHBondContact O-N 2.86Å; E1152-Q1155 PolarHBondContact O-N 2.69Å; E1152-S1156 PolarHBondContact O-N 2.85Å |
| 1153 | Q | 81.3 | Confident | 78.1 | Confident | 106 Ų | 106 | 97.5 Ų | 97.5 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.4 | -75.1 | 173.6 | 14.5 | 0 | 0 | 112.4 | T1149 K1150 Y1151 Q1155 S1156 E1157 | T1149-Q1153 VanDerWaalsContact O-CG 3.29Å; T1149-Q1153 WeakPolarHBondContact O-CG 3.38Å; T1149-Q1153 PolarHBondContact O-N 2.94Å; K1150-Q1153 PolarHBondContact O-N 3.09Å; Y1151-Q1153 VanDerWaalsContact C-N 3.32Å; Y1151-Q1153 PolarHBondContact O-N 2.76Å; Q1153-Q1155 VanDerWaalsContact C-N 3.34Å; Q1153-Q1155 PolarHBondContact O-N 3.37Å; Q1153-S1156 PolarHBondContact O-N 3.31Å; Q1153-E1157 WeakPolarHBondContact O-CG 3.33Å; Q1153-E1157 PolarHBondContact O-N 2.94Å |
| 1154 | L | 77.2 | Confident | 78.1 | Confident | 125 Ų | 125 | 98.9 Ų | 98.9 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -37.7 | 174.4 | -93.2 | 154 | 0 | 0 | 0 | 112.4 | K1150 Y1151 E1157 L1158 | K1150-L1154 WeakPolarHBondContact O-CB 3.35Å; K1150-L1154 PolarHBondContact O-N 3.37Å; Y1151-L1154 PolarHBondContact O-N 2.82Å; L1154-E1157 PolarHBondContact O-N 3.33Å; L1154-L1158 WeakPolarHBondContact O-CB 3.37Å; L1154-L1158 PolarHBondContact O-N 3.5Å |
| 1155 | Q | 75.1 | Confident | 78.3 | Confident | 89 Ų | 89 | 100 Ų | 100 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 176.3 | -165 | 174.1 | 20.9 | 0 | 0 | 111.6 | Y1151 E1152 Q1153 L1158 Q1159 | Y1151-Q1155 WeakPolarHBondContact O-CB 3.46Å; Y1151-Q1155 PolarHBondContact O-N 3.46Å; E1152-Q1155 PolarHBondContact O-N 2.69Å; Q1153-Q1155 VanDerWaalsContact C-N 3.34Å; Q1153-Q1155 PolarHBondContact O-N 3.37Å; Q1155-L1158 PolarHBondContact O-N 2.87Å; Q1155-Q1159 WeakPolarHBondContact O-CG 3.42Å; Q1155-Q1159 PolarHBondContact O-N 3.31Å |
| 1156 | S | 81.8 | Confident | 78.3 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | E1152 Q1153 K1160 | E1152-S1156 PolarHBondContact O-N 2.85Å; Q1153-S1156 PolarHBondContact O-N 3.31Å; S1156-K1160 WeakPolarHBondContact O-CB 3.33Å; S1156-K1160 PolarHBondContact O-N 3.38Å; S1156-K1160 VanDerWaalsContact O-N 3.12Å |
| 1157 | E | 78.8 | Confident | 78.5 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 173.3 | -74.5 | -98.9 | 107.1 | 0 | 0 | 110.9 | Q1153 L1154 K1160 V1161 | Q1153-E1157 WeakPolarHBondContact O-CG 3.33Å; Q1153-E1157 PolarHBondContact O-N 2.94Å; L1154-E1157 PolarHBondContact O-N 3.33Å; E1157-K1160 WeakPolarHBondContact O-CB 3.32Å; E1157-K1160 PolarHBondContact O-N 2.88Å; E1157-V1161 WeakPolarHBondContact O-CG2 3.21Å; E1157-V1161 PolarHBondContact O-N 2.82Å |
| 1158 | L | 73.3 | Confident | 78.8 | Confident | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.5 | -179.8 | 61.7 | 0 | 0 | 0 | 112.2 | L1154 Q1155 K1160 V1161 Q1162 | L1154-L1158 WeakPolarHBondContact O-CB 3.37Å; L1154-L1158 PolarHBondContact O-N 3.5Å; Q1155-L1158 PolarHBondContact O-N 2.87Å; L1158-K1160 VanDerWaalsContact C-N 3.29Å; L1158-K1160 PolarHBondContact O-N 3.26Å; L1158-V1161 PolarHBondContact O-N 2.76Å; L1158-Q1162 HydrophobicContact CD1-CG 4.5Å; L1158-Q1162 WeakPolarHBondContact O-CB 3.36Å; L1158-Q1162 VanDerWaalsContact O-CG 3.29Å; L1158-Q1162 WeakPolarHBondContact O-CG 3.45Å; L1158-Q1162 PolarHBondContact O-N 2.98Å |
| 1159 | Q | 78.1 | Confident | 78.8 | Confident | 121 Ų | 121 | 99.6 Ų | 99.6 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.9 | -39.1 | 175.1 | -74.9 | 180 | -1.3 | 0 | 0 | 112.1 | Q1155 Q1162 L1163 | Q1155-Q1159 WeakPolarHBondContact O-CG 3.42Å; Q1155-Q1159 PolarHBondContact O-N 3.31Å; Q1159-Q1162 PolarHBondContact O-N 3.49Å; Q1159-L1163 PolarHBondContact O-N 2.82Å |
| 1160 | K | 84 | Confident | 78.7 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 176.3 | -177.5 | -171.6 | 166.9 | -149.2 | 0 | 111.9 | S1156 E1157 L1158 Q1162 L1163 E1164 | S1156-K1160 WeakPolarHBondContact O-CB 3.33Å; S1156-K1160 PolarHBondContact O-N 3.38Å; S1156-K1160 VanDerWaalsContact O-N 3.12Å; E1157-K1160 WeakPolarHBondContact O-CB 3.32Å; E1157-K1160 PolarHBondContact O-N 2.88Å; L1158-K1160 VanDerWaalsContact C-N 3.29Å; L1158-K1160 PolarHBondContact O-N 3.26Å; K1160-Q1162 VanDerWaalsContact C-N 3.33Å; K1160-Q1162 PolarHBondContact O-N 3.46Å; K1160-L1163 PolarHBondContact O-N 3.37Å; K1160-E1164 WeakPolarHBondContact CE-OE1 3.46Å; K1160-E1164 IonicContact NZ-OE1 2.61Å; K1160-E1164 WeakPolarHBondContact O-CG 3.29Å; K1160-E1164 PolarHBondContact O-N 2.8Å |
| 1161 | V | 76.5 | Confident | 78.8 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | E1157 L1158 E1164 H1165 | E1157-V1161 WeakPolarHBondContact O-CG2 3.21Å; E1157-V1161 PolarHBondContact O-N 2.82Å; L1158-V1161 PolarHBondContact O-N 2.76Å; V1161-E1164 PolarHBondContact O-N 2.81Å; V1161-H1165 WeakPolarHBondContact O-CB 3.31Å; V1161-H1165 PolarHBondContact O-N 3.43Å |
| 1162 | Q | 72.6 | Confident | 79.1 | Confident | 114 Ų | 114 | 99.4 Ų | 99.4 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 173.4 | -73.5 | 171.2 | -10.7 | 0 | 0 | 112 | L1158 Q1159 K1160 H1165 A1166 | L1158-Q1162 HydrophobicContact CD1-CG 4.5Å; L1158-Q1162 WeakPolarHBondContact O-CB 3.36Å; L1158-Q1162 VanDerWaalsContact O-CG 3.29Å; L1158-Q1162 WeakPolarHBondContact O-CG 3.45Å; L1158-Q1162 PolarHBondContact O-N 2.98Å; Q1159-Q1162 PolarHBondContact O-N 3.49Å; K1160-Q1162 VanDerWaalsContact C-N 3.33Å; K1160-Q1162 PolarHBondContact O-N 3.46Å; Q1162-H1165 PolarHBondContact O-N 2.79Å; Q1162-A1166 WeakPolarHBondContact O-CB 3.38Å; Q1162-A1166 PolarHBondContact O-N 3.44Å |
| 1163 | L | 84.5 | Confident | 79.2 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -41.1 | 175.8 | -177.3 | 61.9 | 0 | 0 | 0 | 112.4 | Q1159 K1160 H1165 A1166 N1167 | Q1159-L1163 PolarHBondContact O-N 2.82Å; K1160-L1163 PolarHBondContact O-N 3.37Å; L1163-H1165 VanDerWaalsContact C-N 3.35Å; L1163-A1166 PolarHBondContact O-N 3.28Å; L1163-N1167 PolarHBondContact O-N 3.46Å; L1163-N1167 PolarHBondContact O-ND2 3.38Å |
| 1164 | E | 78.9 | Confident | 79.3 | Confident | 113 Ų | 113 | 97.8 Ų | 97.8 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.2 | -73.3 | 179.7 | -164.7 | 0 | 0 | 111.5 | K1160 V1161 N1167 M1168 | K1160-E1164 WeakPolarHBondContact CE-OE1 3.46Å; K1160-E1164 IonicContact NZ-OE1 2.61Å; K1160-E1164 WeakPolarHBondContact O-CG 3.29Å; K1160-E1164 PolarHBondContact O-N 2.8Å; V1161-E1164 PolarHBondContact O-N 2.81Å; E1164-N1167 PolarHBondContact O-N 2.83Å; E1164-M1168 PolarHBondContact O-N 2.65Å |
| 1165 | H | 78.9 | Confident | 79.7 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 174.9 | -175.5 | -129 | 0 | 0 | 0 | 112.9 | V1161 Q1162 L1163 N1167 M1168 L1169 | V1161-H1165 WeakPolarHBondContact O-CB 3.31Å; V1161-H1165 PolarHBondContact O-N 3.43Å; Q1162-H1165 PolarHBondContact O-N 2.79Å; L1163-H1165 VanDerWaalsContact C-N 3.35Å; H1165-N1167 PolarHBondContact O-N 3.05Å; H1165-M1168 VanDerWaalsContact O-CB 3.29Å; H1165-M1168 WeakPolarHBondContact O-CB 2.98Å; H1165-M1168 PolarHBondContact O-N 2.76Å; H1165-M1168 VanDerWaalsContact O-N 3.16Å; H1165-L1169 PolarHBondContact O-N 2.72Å |
| 1166 | A | 77.7 | Confident | 79.6 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1162 L1163 M1168 L1169 E1170 | Q1162-A1166 WeakPolarHBondContact O-CB 3.38Å; Q1162-A1166 PolarHBondContact O-N 3.44Å; L1163-A1166 PolarHBondContact O-N 3.28Å; A1166-M1168 VanDerWaalsContact C-N 3.33Å; A1166-M1168 PolarHBondContact O-N 3.37Å; A1166-L1169 PolarHBondContact O-N 2.7Å; A1166-E1170 PolarHBondContact O-N 2.97Å; A1166-E1170 VanDerWaalsContact O-N 3.12Å |
| 1167 | N | 84.3 | Confident | 79.7 | Confident | 89 Ų | 89 | 96.1 Ų | 96.1 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 174.3 | -71.8 | -45.5 | 0 | 0 | 0 | 112.3 | L1163 E1164 H1165 N1171 | L1163-N1167 PolarHBondContact O-N 3.46Å; L1163-N1167 PolarHBondContact O-ND2 3.38Å; E1164-N1167 PolarHBondContact O-N 2.83Å; H1165-N1167 PolarHBondContact O-N 3.05Å; N1167-N1171 WeakPolarHBondContact O-CB 3.47Å; N1167-N1171 PolarHBondContact O-N 3.36Å; N1167-N1171 VanDerWaalsContact O-N 3.12Å; N1167-N1171 PolarHBondContact O-ND2 3.41Å |
| 1168 | M | 81 | Confident | 80 | Confident | 78 Ų | 78 | 94.8 Ų | 94.8 | 38% | 0.384 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 172.6 | -111.9 | -108.8 | -67.4 | 0 | 0 | 112.1 | E1164 H1165 A1166 N1171 Y1172 | E1164-M1168 PolarHBondContact O-N 2.65Å; H1165-M1168 VanDerWaalsContact O-CB 3.29Å; H1165-M1168 WeakPolarHBondContact O-CB 2.98Å; H1165-M1168 PolarHBondContact O-N 2.76Å; H1165-M1168 VanDerWaalsContact O-N 3.16Å; A1166-M1168 VanDerWaalsContact C-N 3.33Å; A1166-M1168 PolarHBondContact O-N 3.37Å; M1168-N1171 PolarHBondContact O-N 2.82Å; M1168-Y1172 HydrophobicContact CE-CE2 3.97Å; M1168-Y1172 VanDerWaalsContact O-CD2 3.28Å; M1168-Y1172 WeakPolarHBondContact O-CD2 3.49Å; M1168-Y1172 PolarHBondContact O-N 2.79Å; M1168-Y1172 HydrophobicContact SD-CD2 4.32Å; M1168-Y1172 HydrophobicContact SD-CE2 3.46Å; M1168-Y1172 WeakPolarHBondContact SD-CE2 3.46Å |
| 1169 | L | 77 | Confident | 80.5 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.5 | -72.2 | 169.7 | 0 | 0 | 0 | 112.5 | H1165 A1166 N1171 Y1172 K1173 | H1165-L1169 PolarHBondContact O-N 2.72Å; A1166-L1169 PolarHBondContact O-N 2.7Å; L1169-N1171 VanDerWaalsContact C-N 3.32Å; L1169-N1171 PolarHBondContact O-N 3.27Å; L1169-Y1172 PolarHBondContact O-N 3.22Å; L1169-K1173 WeakPolarHBondContact O-CB 3.18Å; L1169-K1173 PolarHBondContact O-N 2.81Å |
| 1170 | E | 80.3 | Confident | 80.5 | Confident | 95 Ų | 95 | 94.3 Ų | 94.3 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.5 | -31.8 | 177.7 | -165 | 61.2 | -152.3 | 0 | 0 | 112.1 | A1166 K1173 T1174 | A1166-E1170 PolarHBondContact O-N 2.97Å; A1166-E1170 VanDerWaalsContact O-N 3.12Å; E1170-K1173 IonicContact OE1-NZ 3.3Å; E1170-K1173 PolarHBondContact OE1-NZ 3.49Å; E1170-K1173 IonicContact OE2-NZ 3.39Å; E1170-K1173 PolarHBondContact OE2-NZ 3Å; E1170-T1174 WeakPolarHBondContact O-CB 3.02Å; E1170-T1174 PolarHBondContact O-N 2.98Å; E1170-T1174 PolarHBondContact O-OG1 3.41Å |
| 1171 | N | 84.1 | Confident | 80.5 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 170.4 | -79.4 | -43.4 | 0 | 0 | 0 | 112.4 | N1167 M1168 L1169 T1174 K1175 | N1167-N1171 WeakPolarHBondContact O-CB 3.47Å; N1167-N1171 PolarHBondContact O-N 3.36Å; N1167-N1171 VanDerWaalsContact O-N 3.12Å; N1167-N1171 PolarHBondContact O-ND2 3.41Å; M1168-N1171 PolarHBondContact O-N 2.82Å; L1169-N1171 VanDerWaalsContact C-N 3.32Å; L1169-N1171 PolarHBondContact O-N 3.27Å; N1171-T1174 WeakPolarHBondContact O-CB 3.3Å; N1171-T1174 PolarHBondContact O-N 2.89Å; N1171-K1175 PolarHBondContact O-N 3.46Å |
| 1172 | Y | 77.9 | Confident | 80.9 | Confident | 82 Ų | 82 | 93 Ų | 93 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 174.7 | -77.1 | -57.3 | 0 | 0 | 0 | 112.3 | M1168 L1169 T1174 K1175 Y1176 | M1168-Y1172 HydrophobicContact CE-CE2 3.97Å; M1168-Y1172 VanDerWaalsContact O-CD2 3.28Å; M1168-Y1172 WeakPolarHBondContact O-CD2 3.49Å; M1168-Y1172 PolarHBondContact O-N 2.79Å; M1168-Y1172 HydrophobicContact SD-CD2 4.32Å; M1168-Y1172 HydrophobicContact SD-CE2 3.46Å; M1168-Y1172 WeakPolarHBondContact SD-CE2 3.46Å; L1169-Y1172 PolarHBondContact O-N 3.22Å; Y1172-T1174 VanDerWaalsContact C-N 3.26Å; Y1172-T1174 PolarHBondContact O-N 3.38Å; Y1172-K1175 WeakPolarHBondContact O-CB 3.37Å; Y1172-K1175 PolarHBondContact O-N 3Å; Y1172-K1175 VanDerWaalsContact O-N 3.14Å; Y1172-Y1176 WeakPolarHBondContact O-CD2 3.34Å; Y1172-Y1176 PolarHBondContact O-N 3.31Å |
| 1173 | K | 79.9 | Confident | 81.4 | Confident | 117 Ų | 117 | 92.6 Ų | 92.6 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.3 | -40.4 | 173.4 | 174.2 | 165.1 | 160.1 | -106.4 | 0 | 111.6 | L1169 E1170 T1177 | L1169-K1173 WeakPolarHBondContact O-CB 3.18Å; L1169-K1173 PolarHBondContact O-N 2.81Å; E1170-K1173 IonicContact OE1-NZ 3.3Å; E1170-K1173 PolarHBondContact OE1-NZ 3.49Å; E1170-K1173 IonicContact OE2-NZ 3.39Å; E1170-K1173 PolarHBondContact OE2-NZ 3Å; K1173-T1177 VanDerWaalsContact O-CB 3.3Å; K1173-T1177 WeakPolarHBondContact O-CB 3.37Å; K1173-T1177 PolarHBondContact O-N 2.81Å; K1173-T1177 PolarHBondContact O-OG1 3.24Å |
| 1174 | T | 83.7 | Confident | 81.2 | Confident | 63 Ų | 63 | 91.5 Ų | 91.5 | 39% | 0.387 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 173.5 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | E1170 N1171 Y1172 T1177 N1178 | E1170-T1174 WeakPolarHBondContact O-CB 3.02Å; E1170-T1174 PolarHBondContact O-N 2.98Å; E1170-T1174 PolarHBondContact O-OG1 3.41Å; N1171-T1174 WeakPolarHBondContact O-CB 3.3Å; N1171-T1174 PolarHBondContact O-N 2.89Å; Y1172-T1174 VanDerWaalsContact C-N 3.26Å; Y1172-T1174 PolarHBondContact O-N 3.38Å; T1174-T1177 PolarHBondContact O-N 3.44Å; T1174-N1178 PolarHBondContact O-N 2.9Å; T1174-N1178 PolarHBondContact O-ND2 3.12Å |
| 1175 | K | 85.8 | Confident | 81.5 | Confident | 78 Ų | 78 | 92.5 Ų | 92.5 | 34% | 0.339 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.5 | -56.9 | 174.7 | 175.5 | -174.6 | 175.4 | -72 | 0 | 111.3 | N1171 Y1172 T1177 N1178 E1179 | N1171-K1175 PolarHBondContact O-N 3.46Å; Y1172-K1175 WeakPolarHBondContact O-CB 3.37Å; Y1172-K1175 PolarHBondContact O-N 3Å; Y1172-K1175 VanDerWaalsContact O-N 3.14Å; K1175-T1177 VanDerWaalsContact C-N 3.3Å; K1175-T1177 PolarHBondContact O-N 2.98Å; K1175-N1178 PolarHBondContact O-N 3.02Å; K1175-N1178 VanDerWaalsContact O-N 3.1Å; K1175-E1179 WeakPolarHBondContact CE-OE1 3.25Å; K1175-E1179 WeakPolarHBondContact CG-OE1 3.38Å; K1175-E1179 IonicContact NZ-OE1 3.2Å; K1175-E1179 PolarHBondContact NZ-OE1 3.48Å; K1175-E1179 IonicContact NZ-OE2 3.88Å; K1175-E1179 PolarHBondContact NZ-OE2 3.4Å; K1175-E1179 WeakPolarHBondContact O-CG 3.27Å; K1175-E1179 PolarHBondContact O-N 3.39Å |
| 1176 | Y | 73.5 | Confident | 81.8 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -31.9 | -178.1 | -66.1 | -58.6 | 0 | 0 | 0 | 112.8 | E700 Y1172 N1178 E1179 L1180 | E700-Y1176 PolarHBondContact OE1-OH 2.82Å; Y1172-Y1176 WeakPolarHBondContact O-CD2 3.34Å; Y1172-Y1176 PolarHBondContact O-N 3.31Å; Y1176-N1178 VanDerWaalsContact C-N 3.34Å; Y1176-E1179 VanDerWaalsContact CD1-OE2 3.28Å; Y1176-E1179 WeakPolarHBondContact CD1-OE2 3.42Å; Y1176-E1179 PolarHBondContact O-N 3.28Å; Y1176-L1180 VanDerWaalsContact O-CB 3.27Å; Y1176-L1180 WeakPolarHBondContact O-CB 3.39Å; Y1176-L1180 PolarHBondContact O-N 2.88Å |
| 1177 | T | 82 | Confident | 81.9 | Confident | 69 Ų | 69 | 96.1 Ų | 96.1 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 173 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | K1173 T1174 K1175 N1181 | K1173-T1177 VanDerWaalsContact O-CB 3.3Å; K1173-T1177 WeakPolarHBondContact O-CB 3.37Å; K1173-T1177 PolarHBondContact O-N 2.81Å; K1173-T1177 PolarHBondContact O-OG1 3.24Å; T1174-T1177 PolarHBondContact O-N 3.44Å; K1175-T1177 VanDerWaalsContact C-N 3.3Å; K1175-T1177 PolarHBondContact O-N 2.98Å; T1177-N1181 WeakPolarHBondContact O-CB 3.4Å; T1177-N1181 PolarHBondContact O-N 3.07Å; T1177-N1181 PolarHBondContact O-ND2 3.36Å |
| 1178 | N | 85.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | 175.2 | -69.6 | -28.7 | 0 | 0 | 0 | 111.9 | T1174 K1175 Y1176 L1180 N1181 D1182 | T1174-N1178 PolarHBondContact O-N 2.9Å; T1174-N1178 PolarHBondContact O-ND2 3.12Å; K1175-N1178 PolarHBondContact O-N 3.02Å; K1175-N1178 VanDerWaalsContact O-N 3.1Å; Y1176-N1178 VanDerWaalsContact C-N 3.34Å; N1178-L1180 VanDerWaalsContact C-N 3.34Å; N1178-L1180 PolarHBondContact O-N 2.91Å; N1178-N1181 PolarHBondContact O-N 2.89Å; N1178-D1182 PolarHBondContact O-N 2.89Å |
| 1179 | E | 84.1 | Confident | 81.7 | Confident | 91 Ų | 91 | 97 Ų | 97 | 43% | 0.425 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.1 | -71.2 | 168.6 | 176.9 | 0 | 0 | 111.8 | K1175 Y1176 D1182 L1183 | K1175-E1179 WeakPolarHBondContact CE-OE1 3.25Å; K1175-E1179 WeakPolarHBondContact CG-OE1 3.38Å; K1175-E1179 IonicContact NZ-OE1 3.2Å; K1175-E1179 PolarHBondContact NZ-OE1 3.48Å; K1175-E1179 IonicContact NZ-OE2 3.88Å; K1175-E1179 PolarHBondContact NZ-OE2 3.4Å; K1175-E1179 WeakPolarHBondContact O-CG 3.27Å; K1175-E1179 PolarHBondContact O-N 3.39Å; Y1176-E1179 VanDerWaalsContact CD1-OE2 3.28Å; Y1176-E1179 WeakPolarHBondContact CD1-OE2 3.42Å; Y1176-E1179 PolarHBondContact O-N 3.28Å; E1179-D1182 PolarHBondContact O-N 3.39Å; E1179-L1183 WeakPolarHBondContact O-CB 3.46Å; E1179-L1183 PolarHBondContact O-N 3.16Å |
| 1180 | L | 79.4 | Confident | 81.9 | Confident | 119 Ų | 119 | 96.7 Ų | 96.7 | 62% | 0.623 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 173.6 | -171.1 | 73 | 0 | 0 | 0 | 112 | Y1176 N1178 L1183 N1184 | Y1176-L1180 VanDerWaalsContact O-CB 3.27Å; Y1176-L1180 WeakPolarHBondContact O-CB 3.39Å; Y1176-L1180 PolarHBondContact O-N 2.88Å; N1178-L1180 VanDerWaalsContact C-N 3.34Å; N1178-L1180 PolarHBondContact O-N 2.91Å; L1180-L1183 PolarHBondContact O-N 2.85Å; L1180-N1184 VanDerWaalsContact O-CB 3.31Å; L1180-N1184 WeakPolarHBondContact O-CB 3.43Å; L1180-N1184 PolarHBondContact O-N 2.9Å |
| 1181 | N | 83.2 | Confident | 81.8 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 177 | -82.6 | -47.3 | 0 | 0 | 0 | 112.4 | T1177 N1178 N1184 K1185 | T1177-N1181 WeakPolarHBondContact O-CB 3.4Å; T1177-N1181 PolarHBondContact O-N 3.07Å; T1177-N1181 PolarHBondContact O-ND2 3.36Å; N1178-N1181 PolarHBondContact O-N 2.89Å; N1181-N1184 PolarHBondContact O-N 3.4Å; N1181-K1185 WeakPolarHBondContact O-CG 3.34Å; N1181-K1185 PolarHBondContact O-N 3.33Å |
| 1182 | D | 85.4 | Confident | 81.6 | Confident | 94 Ų | 94 | 94 Ų | 94 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.4 | -34.5 | 177.5 | -75.5 | -17.6 | 0 | 0 | 0 | 112.4 | N1178 E1179 N1184 K1185 K1186 | N1178-D1182 PolarHBondContact O-N 2.89Å; E1179-D1182 PolarHBondContact O-N 3.39Å; D1182-N1184 VanDerWaalsContact C-N 3.34Å; D1182-K1185 PolarHBondContact O-N 2.89Å; D1182-K1185 WeakPolarHBondContact OD1-CE 3.42Å; D1182-K1185 IonicContact OD1-NZ 2.76Å; D1182-K1185 PolarHBondContact OD1-NZ 3.29Å; D1182-K1186 PolarHBondContact O-N 3.34Å |
| 1183 | L | 82.1 | Confident | 81.8 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 169.8 | -174.7 | 62.1 | 0 | 0 | 0 | 111.7 | E1179 L1180 K1186 Y1187 | E1179-L1183 WeakPolarHBondContact O-CB 3.46Å; E1179-L1183 PolarHBondContact O-N 3.16Å; L1180-L1183 PolarHBondContact O-N 2.85Å; L1183-K1186 WeakPolarHBondContact O-CB 3.26Å; L1183-K1186 PolarHBondContact O-N 3.28Å; L1183-Y1187 PolarHBondContact O-N 3.36Å |
| 1184 | N | 81.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 176.1 | -167.8 | 31.4 | 0 | 0 | 0 | 112.1 | L1180 N1181 D1182 K1186 Y1187 E1188 | L1180-N1184 VanDerWaalsContact O-CB 3.31Å; L1180-N1184 WeakPolarHBondContact O-CB 3.43Å; L1180-N1184 PolarHBondContact O-N 2.9Å; N1181-N1184 PolarHBondContact O-N 3.4Å; D1182-N1184 VanDerWaalsContact C-N 3.34Å; N1184-K1186 VanDerWaalsContact C-N 3.32Å; N1184-K1186 PolarHBondContact O-N 2.88Å; N1184-Y1187 PolarHBondContact O-N 2.86Å; N1184-E1188 PolarHBondContact O-N 3.46Å |
| 1185 | K | 85.4 | Confident | 81.4 | Confident | 133 Ų | 133 | 95.2 Ų | 95.2 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.6 | -42.3 | 170.4 | -69.6 | 167.3 | -159 | 161.8 | 0 | 111.7 | N1181 D1182 M1189 | N1181-K1185 WeakPolarHBondContact O-CG 3.34Å; N1181-K1185 PolarHBondContact O-N 3.33Å; D1182-K1185 PolarHBondContact O-N 2.89Å; D1182-K1185 WeakPolarHBondContact OD1-CE 3.42Å; D1182-K1185 IonicContact OD1-NZ 2.76Å; D1182-K1185 PolarHBondContact OD1-NZ 3.29Å; K1185-M1189 VanDerWaalsContact O-CB 3.28Å; K1185-M1189 WeakPolarHBondContact O-CB 3.36Å; K1185-M1189 PolarHBondContact O-N 2.81Å |
| 1186 | K | 86 | Confident | 81.2 | Confident | 95 Ų | 95 | 98 Ų | 98 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.2 | -177.4 | 178 | 177.1 | -66.5 | 0 | 111.3 | D1182 L1183 N1184 M1189 E1190 | D1182-K1186 PolarHBondContact O-N 3.34Å; L1183-K1186 WeakPolarHBondContact O-CB 3.26Å; L1183-K1186 PolarHBondContact O-N 3.28Å; N1184-K1186 VanDerWaalsContact C-N 3.32Å; N1184-K1186 PolarHBondContact O-N 2.88Å; K1186-M1189 PolarHBondContact O-N 2.81Å; K1186-E1190 VanDerWaalsContact CE-OE1 3.3Å; K1186-E1190 WeakPolarHBondContact CE-OE1 3.46Å; K1186-E1190 IonicContact NZ-OE1 2.65Å; K1186-E1190 PolarHBondContact NZ-OE1 2.89Å; K1186-E1190 IonicContact NZ-OE2 3.56Å; K1186-E1190 PolarHBondContact NZ-OE2 3.31Å; K1186-E1190 WeakPolarHBondContact O-CB 3.49Å; K1186-E1190 WeakPolarHBondContact O-CG 3.4Å; K1186-E1190 PolarHBondContact O-N 2.84Å |
| 1187 | Y | 79.9 | Confident | 81.5 | Confident | 139 Ų | 139 | 97.9 Ų | 97.9 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 176.6 | 175.9 | -101 | 0 | 0 | 0 | 112.4 | L1183 N1184 M1189 E1190 K1191 | L1183-Y1187 PolarHBondContact O-N 3.36Å; N1184-Y1187 PolarHBondContact O-N 2.86Å; Y1187-M1189 VanDerWaalsContact C-N 3.28Å; Y1187-M1189 PolarHBondContact O-N 3.34Å; Y1187-E1190 PolarHBondContact O-N 2.69Å; Y1187-K1191 HydrophobicContact CE1-CD 3.92Å; Y1187-K1191 WeakPolarHBondContact O-CB 3.33Å; Y1187-K1191 PolarHBondContact O-N 2.81Å |
| 1188 | E | 77.9 | Confident | 81.4 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -30 | 178.3 | -72 | -63.2 | 134.3 | 0 | 0 | 112.7 | N1184 K1191 S1192 | N1184-E1188 PolarHBondContact O-N 3.46Å; E1188-K1191 WeakPolarHBondContact OE1-CD 3.4Å; E1188-K1191 IonicContact OE1-NZ 3.86Å; E1188-K1191 PolarHBondContact OE1-NZ 3.25Å; E1188-K1191 IonicContact OE2-NZ 3.17Å; E1188-K1191 PolarHBondContact OE2-NZ 3.5Å; E1188-S1192 VanDerWaalsContact O-CB 3.31Å; E1188-S1192 WeakPolarHBondContact O-CB 3.45Å; E1188-S1192 PolarHBondContact O-N 3.35Å; E1188-S1192 PolarHBondContact O-OG 2.93Å |
| 1189 | M | 82.3 | Confident | 81.2 | Confident | 110 Ų | 110 | 97.2 Ų | 97.2 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -46.6 | 172 | 178.4 | 168.7 | 54.7 | 0 | 0 | 112.4 | K1185 K1186 Y1187 S1192 Q1193 | K1185-M1189 VanDerWaalsContact O-CB 3.28Å; K1185-M1189 WeakPolarHBondContact O-CB 3.36Å; K1185-M1189 PolarHBondContact O-N 2.81Å; K1186-M1189 PolarHBondContact O-N 2.81Å; Y1187-M1189 VanDerWaalsContact C-N 3.28Å; Y1187-M1189 PolarHBondContact O-N 3.34Å; M1189-S1192 WeakPolarHBondContact O-CB 3.1Å; M1189-S1192 PolarHBondContact O-N 3.02Å; M1189-Q1193 WeakPolarHBondContact O-CG 3.29Å; M1189-Q1193 PolarHBondContact O-N 2.71Å |
| 1190 | E | 80.3 | Confident | 81.3 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 177.2 | -73.3 | 173.4 | 163.1 | 0 | 0 | 111.6 | K1186 Y1187 Q1193 C1194 | K1186-E1190 VanDerWaalsContact CE-OE1 3.3Å; K1186-E1190 WeakPolarHBondContact CE-OE1 3.46Å; K1186-E1190 IonicContact NZ-OE1 2.65Å; K1186-E1190 PolarHBondContact NZ-OE1 2.89Å; K1186-E1190 IonicContact NZ-OE2 3.56Å; K1186-E1190 PolarHBondContact NZ-OE2 3.31Å; K1186-E1190 WeakPolarHBondContact O-CB 3.49Å; K1186-E1190 WeakPolarHBondContact O-CG 3.4Å; K1186-E1190 PolarHBondContact O-N 2.84Å; Y1187-E1190 PolarHBondContact O-N 2.69Å; E1190-Q1193 PolarHBondContact O-N 3.3Å; E1190-C1194 WeakPolarHBondContact O-CB 3.38Å; E1190-C1194 PolarHBondContact O-N 2.95Å |
| 1191 | K | 79.5 | Confident | 81.3 | Confident | 83 Ų | 83 | 94.5 Ų | 94.5 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 170.7 | 176 | -175.7 | 167.5 | -153.2 | 0 | 111.9 | Y1187 E1188 C1194 I1195 | Y1187-K1191 HydrophobicContact CE1-CD 3.92Å; Y1187-K1191 WeakPolarHBondContact O-CB 3.33Å; Y1187-K1191 PolarHBondContact O-N 2.81Å; E1188-K1191 WeakPolarHBondContact OE1-CD 3.4Å; E1188-K1191 IonicContact OE1-NZ 3.86Å; E1188-K1191 PolarHBondContact OE1-NZ 3.25Å; E1188-K1191 IonicContact OE2-NZ 3.17Å; E1188-K1191 PolarHBondContact OE2-NZ 3.5Å; K1191-C1194 PolarHBondContact O-N 3.08Å; K1191-I1195 HydrophobicContact CG-CD1 4.17Å; K1191-I1195 VanDerWaalsContact O-CG1 3.29Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.37Å; K1191-I1195 PolarHBondContact O-N 2.82Å |
| 1192 | S | 79.9 | Confident | 81.1 | Confident | 69 Ų | 69 | 96.4 Ų | 96.4 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | E1188 M1189 C1194 I1195 E1196 | E1188-S1192 VanDerWaalsContact O-CB 3.31Å; E1188-S1192 WeakPolarHBondContact O-CB 3.45Å; E1188-S1192 PolarHBondContact O-N 3.35Å; E1188-S1192 PolarHBondContact O-OG 2.93Å; M1189-S1192 WeakPolarHBondContact O-CB 3.1Å; M1189-S1192 PolarHBondContact O-N 3.02Å; S1192-C1194 PolarHBondContact O-N 3.02Å; S1192-I1195 PolarHBondContact O-N 3.43Å; S1192-E1196 PolarHBondContact O-N 2.71Å |
| 1193 | Q | 82.3 | Confident | 80.9 | Confident | 120 Ų | 120 | 98.5 Ų | 98.5 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 174.6 | -73.9 | -178.4 | -24.5 | 0 | 0 | 112.4 | M1189 E1190 E1196 Q1197 | M1189-Q1193 WeakPolarHBondContact O-CG 3.29Å; M1189-Q1193 PolarHBondContact O-N 2.71Å; E1190-Q1193 PolarHBondContact O-N 3.3Å; Q1193-E1196 PolarHBondContact O-N 3.4Å; Q1193-Q1197 WeakPolarHBondContact O-CB 3.41Å; Q1193-Q1197 PolarHBondContact O-N 3.24Å |
| 1194 | C | 74.9 | Confident | 81 | Confident | 76 Ų | 76 | 96.9 Ų | 96.9 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | E1190 K1191 S1192 L1198 | E1190-C1194 WeakPolarHBondContact O-CB 3.38Å; E1190-C1194 PolarHBondContact O-N 2.95Å; K1191-C1194 PolarHBondContact O-N 3.08Å; S1192-C1194 PolarHBondContact O-N 3.02Å; C1194-L1198 WeakPolarHBondContact O-CB 3.43Å; C1194-L1198 PolarHBondContact O-N 2.9Å |
| 1195 | I | 79.9 | Confident | 81 | Confident | 92 Ų | 92 | 95.3 Ų | 95.3 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 174.8 | -69 | 164.2 | 0 | 0 | 0 | 111.1 | K1191 S1192 N1199 | K1191-I1195 HydrophobicContact CG-CD1 4.17Å; K1191-I1195 VanDerWaalsContact O-CG1 3.29Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.37Å; K1191-I1195 PolarHBondContact O-N 2.82Å; S1192-I1195 PolarHBondContact O-N 3.43Å; I1195-N1199 WeakPolarHBondContact O-CB 3.29Å; I1195-N1199 VanDerWaalsContact O-CG 3.26Å; I1195-N1199 PolarHBondContact O-N 2.96Å; I1195-N1199 PolarHBondContact O-ND2 3.15Å; I1195-N1199 VanDerWaalsContact O-ND2 3.07Å |
| 1196 | E | 80.7 | Confident | 80.7 | Confident | 136 Ų | 136 | 95.1 Ų | 95.1 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -46.8 | 177.3 | -170.8 | 167.2 | -147.6 | 0 | 0 | 111.8 | S1192 Q1193 N1199 V1200 | S1192-E1196 PolarHBondContact O-N 2.71Å; Q1193-E1196 PolarHBondContact O-N 3.4Å; E1196-N1199 PolarHBondContact O-N 2.83Å; E1196-V1200 WeakPolarHBondContact O-CG2 3.35Å; E1196-V1200 PolarHBondContact O-N 3.28Å |
| 1197 | Q | 80.2 | Confident | 80.7 | Confident | 105 Ų | 105 | 97.2 Ų | 97.2 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176 | -177.1 | 177.3 | -27.1 | 0 | 0 | 111.9 | Q1193 N1199 V1200 E1201 | Q1193-Q1197 WeakPolarHBondContact O-CB 3.41Å; Q1193-Q1197 PolarHBondContact O-N 3.24Å; Q1197-N1199 VanDerWaalsContact C-N 3.29Å; Q1197-N1199 PolarHBondContact O-N 3.06Å; Q1197-V1200 PolarHBondContact O-N 3.39Å; Q1197-V1200 VanDerWaalsContact O-N 3.1Å; Q1197-E1201 HydrophobicContact CG-CG 4.49Å; Q1197-E1201 PolarHBondContact NE2-OE1 2.88Å; Q1197-E1201 PolarHBondContact O-N 3.45Å |
| 1198 | L | 80.4 | Confident | 80.9 | Confident | 59 Ų | 59 | 95 Ų | 95 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -31.1 | -179.7 | -167.7 | 147.8 | 0 | 0 | 0 | 111.8 | C1194 H1202 F1602 | C1194-L1198 WeakPolarHBondContact O-CB 3.43Å; C1194-L1198 PolarHBondContact O-N 2.9Å; L1198-H1202 VanDerWaalsContact CD2-CE1 3.44Å; L1198-H1202 WeakPolarHBondContact CD2-CE1 3.35Å; L1198-H1202 WeakPolarHBondContact O-CB 3.31Å; L1198-H1202 PolarHBondContact O-N 2.85Å; L1198-F1602 HydrophobicContact CD1-CE1 4.43Å; L1198-F1602 HydrophobicContact CD1-CZ 4.25Å |
| 1199 | N | 81.2 | Confident | 81 | Confident | 85 Ų | 85 | 94.3 Ų | 94.3 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 168.8 | -78.9 | -35.6 | 0 | 0 | 0 | 112.4 | I1195 E1196 Q1197 H1202 Q1203 | I1195-N1199 WeakPolarHBondContact O-CB 3.29Å; I1195-N1199 VanDerWaalsContact O-CG 3.26Å; I1195-N1199 PolarHBondContact O-N 2.96Å; I1195-N1199 PolarHBondContact O-ND2 3.15Å; I1195-N1199 VanDerWaalsContact O-ND2 3.07Å; E1196-N1199 PolarHBondContact O-N 2.83Å; Q1197-N1199 VanDerWaalsContact C-N 3.29Å; Q1197-N1199 PolarHBondContact O-N 3.06Å; N1199-H1202 PolarHBondContact O-N 2.85Å; N1199-Q1203 WeakPolarHBondContact O-CB 3.41Å; N1199-Q1203 WeakPolarHBondContact O-CG 3.24Å; N1199-Q1203 PolarHBondContact O-N 2.8Å |
| 1200 | V | 84.6 | Confident | 80.9 | Confident | 80 Ų | 80 | 92.9 Ų | 92.9 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | E1196 Q1197 Q1203 T1204 | E1196-V1200 WeakPolarHBondContact O-CG2 3.35Å; E1196-V1200 PolarHBondContact O-N 3.28Å; Q1197-V1200 PolarHBondContact O-N 3.39Å; Q1197-V1200 VanDerWaalsContact O-N 3.1Å; V1200-Q1203 PolarHBondContact O-N 3.19Å; V1200-T1204 VanDerWaalsContact O-CB 3.28Å; V1200-T1204 WeakPolarHBondContact O-CB 3.4Å; V1200-T1204 PolarHBondContact O-N 2.83Å; V1200-T1204 PolarHBondContact O-OG1 3.25Å |
| 1201 | E | 79.4 | Confident | 80.9 | Confident | 73 Ų | 73 | 92.7 Ų | 92.7 | 34% | 0.341 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 174.4 | -74.4 | 179.9 | -158.9 | 0 | 0 | 111.3 | Q1197 T1204 A1205 | Q1197-E1201 HydrophobicContact CG-CG 4.49Å; Q1197-E1201 PolarHBondContact NE2-OE1 2.88Å; Q1197-E1201 PolarHBondContact O-N 3.45Å; E1201-T1204 PolarHBondContact O-N 3.28Å; E1201-A1205 VanDerWaalsContact O-CB 3.28Å; E1201-A1205 WeakPolarHBondContact O-CB 3.42Å; E1201-A1205 PolarHBondContact O-N 2.92Å |
| 1202 | H | 80 | Confident | 81.1 | Confident | 116 Ų | 116 | 92.9 Ų | 92.9 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 173.4 | -83.4 | 164 | 0 | 0 | 0 | 112.7 | L1198 N1199 T1204 A1205 L1206 | L1198-H1202 VanDerWaalsContact CD2-CE1 3.44Å; L1198-H1202 WeakPolarHBondContact CD2-CE1 3.35Å; L1198-H1202 WeakPolarHBondContact O-CB 3.31Å; L1198-H1202 PolarHBondContact O-N 2.85Å; N1199-H1202 PolarHBondContact O-N 2.85Å; H1202-T1204 VanDerWaalsContact C-N 3.31Å; H1202-T1204 PolarHBondContact O-N 2.96Å; H1202-A1205 PolarHBondContact O-N 3.42Å; H1202-L1206 WeakPolarHBondContact O-CB 3.38Å; H1202-L1206 PolarHBondContact O-N 3.45Å |
| 1203 | Q | 80.6 | Confident | 81.1 | Confident | 139 Ų | 139 | 92.1 Ų | 92.1 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 176.1 | -75.7 | -179.6 | 1 | 0 | 0 | 111.6 | N1199 V1200 L1206 K1207 | N1199-Q1203 WeakPolarHBondContact O-CB 3.41Å; N1199-Q1203 WeakPolarHBondContact O-CG 3.24Å; N1199-Q1203 PolarHBondContact O-N 2.8Å; V1200-Q1203 PolarHBondContact O-N 3.19Å; Q1203-L1206 PolarHBondContact O-N 2.83Å; Q1203-K1207 WeakPolarHBondContact O-CB 3.42Å; Q1203-K1207 PolarHBondContact O-N 2.88Å |
| 1204 | T | 83.8 | Confident | 80.9 | Confident | 71 Ų | 71 | 90.5 Ų | 90.5 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -43 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | V1200 E1201 H1202 N1208 | V1200-T1204 VanDerWaalsContact O-CB 3.28Å; V1200-T1204 WeakPolarHBondContact O-CB 3.4Å; V1200-T1204 PolarHBondContact O-N 2.83Å; V1200-T1204 PolarHBondContact O-OG1 3.25Å; E1201-T1204 PolarHBondContact O-N 3.28Å; H1202-T1204 VanDerWaalsContact C-N 3.31Å; H1202-T1204 PolarHBondContact O-N 2.96Å; T1204-N1208 WeakPolarHBondContact O-CB 3.36Å; T1204-N1208 PolarHBondContact O-N 3.16Å; T1204-N1208 PolarHBondContact O-ND2 3.47Å |
| 1205 | A | 81 | Confident | 81.2 | Confident | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E1201 H1202 N1208 A1209 | E1201-A1205 VanDerWaalsContact O-CB 3.28Å; E1201-A1205 WeakPolarHBondContact O-CB 3.42Å; E1201-A1205 PolarHBondContact O-N 2.92Å; H1202-A1205 PolarHBondContact O-N 3.42Å; A1205-N1208 PolarHBondContact O-N 3.36Å; A1205-A1209 WeakPolarHBondContact O-CB 3.36Å; A1205-A1209 PolarHBondContact O-N 3.22Å |
| 1206 | L | 80.7 | Confident | 81.3 | Confident | 128 Ų | 128 | 91.8 Ų | 91.8 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 177.3 | -150.4 | 91.3 | 0 | 0 | 0 | 110.8 | H1202 Q1203 A1209 V1210 | H1202-L1206 WeakPolarHBondContact O-CB 3.38Å; H1202-L1206 PolarHBondContact O-N 3.45Å; Q1203-L1206 PolarHBondContact O-N 2.83Å; L1206-A1209 PolarHBondContact O-N 3.41Å; L1206-V1210 WeakPolarHBondContact O-CG2 3.45Å; L1206-V1210 PolarHBondContact O-N 3.09Å |
| 1207 | K | 84.3 | Confident | 81.1 | Confident | 139 Ų | 139 | 91.4 Ų | 91.4 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -50.3 | 176.3 | -177 | 169.1 | -176.1 | 167 | 0 | 111.9 | Q1203 A1209 V1210 D1211 | Q1203-K1207 WeakPolarHBondContact O-CB 3.42Å; Q1203-K1207 PolarHBondContact O-N 2.88Å; K1207-A1209 VanDerWaalsContact C-N 3.26Å; K1207-A1209 PolarHBondContact O-N 3.38Å; K1207-V1210 PolarHBondContact O-N 3.03Å; K1207-D1211 WeakPolarHBondContact O-CB 3.43Å; K1207-D1211 PolarHBondContact O-N 3.37Å |
| 1208 | N | 84 | Confident | 81 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 176.9 | -73.2 | -26.5 | 0 | 0 | 0 | 112.4 | T1204 A1205 T1212 | T1204-N1208 WeakPolarHBondContact O-CB 3.36Å; T1204-N1208 PolarHBondContact O-N 3.16Å; T1204-N1208 PolarHBondContact O-ND2 3.47Å; A1205-N1208 PolarHBondContact O-N 3.36Å; N1208-T1212 VanDerWaalsContact O-CB 3.24Å; N1208-T1212 WeakPolarHBondContact O-CB 3.22Å; N1208-T1212 PolarHBondContact O-N 3.4Å; N1208-T1212 PolarHBondContact O-OG1 3.01Å |
| 1209 | A | 81.3 | Confident | 81.1 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1205 L1206 K1207 T1212 A1213 | A1205-A1209 WeakPolarHBondContact O-CB 3.36Å; A1205-A1209 PolarHBondContact O-N 3.22Å; L1206-A1209 PolarHBondContact O-N 3.41Å; K1207-A1209 VanDerWaalsContact C-N 3.26Å; K1207-A1209 PolarHBondContact O-N 3.38Å; A1209-T1212 PolarHBondContact O-N 2.8Å; A1209-A1213 WeakPolarHBondContact O-CB 3.2Å; A1209-A1213 PolarHBondContact O-N 3.46Å |
| 1210 | V | 79 | Confident | 81 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 174.5 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L1206 K1207 T1212 A1213 V1214 | L1206-V1210 WeakPolarHBondContact O-CG2 3.45Å; L1206-V1210 PolarHBondContact O-N 3.09Å; K1207-V1210 PolarHBondContact O-N 3.03Å; V1210-T1212 VanDerWaalsContact C-N 3.28Å; V1210-T1212 PolarHBondContact O-N 3.07Å; V1210-A1213 PolarHBondContact O-N 2.87Å; V1210-A1213 VanDerWaalsContact O-N 3.11Å; V1210-V1214 HydrophobicContact CG1-CG2 4.35Å; V1210-V1214 WeakPolarHBondContact O-CG2 3.27Å; V1210-V1214 PolarHBondContact O-N 3.45Å |
| 1211 | D | 81.9 | Confident | 80.5 | Confident | 85 Ų | 85 | 93.9 Ų | 93.9 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 178.2 | -74.1 | -27.1 | 0 | 0 | 0 | 111.5 | K1207 F1215 | K1207-D1211 WeakPolarHBondContact O-CB 3.43Å; K1207-D1211 PolarHBondContact O-N 3.37Å; D1211-F1215 VanDerWaalsContact O-CB 3.26Å; D1211-F1215 WeakPolarHBondContact O-CB 3.47Å; D1211-F1215 PolarHBondContact O-N 2.79Å |
| 1212 | T | 82.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 96 Ų | 96 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | N1208 A1209 V1210 T1216 | N1208-T1212 VanDerWaalsContact O-CB 3.24Å; N1208-T1212 WeakPolarHBondContact O-CB 3.22Å; N1208-T1212 PolarHBondContact O-N 3.4Å; N1208-T1212 PolarHBondContact O-OG1 3.01Å; A1209-T1212 PolarHBondContact O-N 2.8Å; V1210-T1212 VanDerWaalsContact C-N 3.28Å; V1210-T1212 PolarHBondContact O-N 3.07Å; T1212-T1216 WeakPolarHBondContact O-CB 3.45Å; T1212-T1216 WeakPolarHBondContact O-CG2 3.48Å; T1212-T1216 PolarHBondContact O-N 3.3Å; T1212-T1216 PolarHBondContact O-OG1 3.44Å |
| 1213 | A | 79.6 | Confident | 80.6 | Confident | 53 Ų | 53 | 95.8 Ų | 95.8 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1209 V1210 T1216 K1217 | A1209-A1213 WeakPolarHBondContact O-CB 3.2Å; A1209-A1213 PolarHBondContact O-N 3.46Å; V1210-A1213 PolarHBondContact O-N 2.87Å; V1210-A1213 VanDerWaalsContact O-N 3.11Å; A1213-T1216 PolarHBondContact O-N 3.3Å; A1213-T1216 PolarHBondContact O-OG1 2.93Å; A1213-T1216 VanDerWaalsContact O-OG1 3.11Å; A1213-K1217 WeakPolarHBondContact O-CB 3.3Å; A1213-K1217 PolarHBondContact O-N 2.85Å |
| 1214 | V | 79.3 | Confident | 80.5 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 53% | 0.527 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 173.9 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | V1210 T1216 K1217 E1218 | V1210-V1214 HydrophobicContact CG1-CG2 4.35Å; V1210-V1214 WeakPolarHBondContact O-CG2 3.27Å; V1210-V1214 PolarHBondContact O-N 3.45Å; V1214-T1216 PolarHBondContact O-N 2.78Å; V1214-K1217 PolarHBondContact O-N 3.5Å; V1214-E1218 WeakPolarHBondContact O-CB 3.42Å; V1214-E1218 PolarHBondContact O-N 2.81Å |
| 1215 | F | 79.5 | Confident | 80.2 | Confident | 127 Ų | 127 | 94.4 Ų | 94.4 | 56% | 0.557 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 179.4 | -179.7 | -104.6 | 0 | 0 | 0 | 113.1 | D1211 E1218 K1219 | D1211-F1215 VanDerWaalsContact O-CB 3.26Å; D1211-F1215 WeakPolarHBondContact O-CB 3.47Å; D1211-F1215 PolarHBondContact O-N 2.79Å; F1215-E1218 PolarHBondContact O-N 3.24Å; F1215-K1219 VanDerWaalsContact O-CB 3.32Å; F1215-K1219 WeakPolarHBondContact O-CB 3.4Å; F1215-K1219 PolarHBondContact O-N 2.91Å |
| 1216 | T | 81.7 | Confident | 80.1 | Confident | 68 Ų | 68 | 94.1 Ų | 94.1 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.3 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | T1212 A1213 V1214 Q1220 | T1212-T1216 WeakPolarHBondContact O-CB 3.45Å; T1212-T1216 WeakPolarHBondContact O-CG2 3.48Å; T1212-T1216 PolarHBondContact O-N 3.3Å; T1212-T1216 PolarHBondContact O-OG1 3.44Å; A1213-T1216 PolarHBondContact O-N 3.3Å; A1213-T1216 PolarHBondContact O-OG1 2.93Å; A1213-T1216 VanDerWaalsContact O-OG1 3.11Å; V1214-T1216 PolarHBondContact O-N 2.78Å; T1216-Q1220 WeakPolarHBondContact O-CG 3.23Å; T1216-Q1220 PolarHBondContact O-N 3.44Å |
| 1217 | K | 78.1 | Confident | 80.1 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 171.7 | -81.6 | -71 | 179.2 | -171 | 0 | 112.8 | A1213 V1214 K1219 Q1220 M1221 | A1213-K1217 WeakPolarHBondContact O-CB 3.3Å; A1213-K1217 PolarHBondContact O-N 2.85Å; V1214-K1217 PolarHBondContact O-N 3.5Å; K1217-K1219 VanDerWaalsContact C-N 3.31Å; K1217-K1219 PolarHBondContact O-N 2.82Å; K1217-Q1220 PolarHBondContact O-N 2.99Å; K1217-M1221 PolarHBondContact O-N 3.39Å |
| 1218 | E | 77.3 | Confident | 79.8 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 177.2 | -158.7 | -144.7 | -166.4 | 0 | 0 | 111.1 | V1214 F1215 M1221 K1222 | V1214-E1218 WeakPolarHBondContact O-CB 3.42Å; V1214-E1218 PolarHBondContact O-N 2.81Å; F1215-E1218 PolarHBondContact O-N 3.24Å; E1218-M1221 PolarHBondContact O-N 2.82Å; E1218-K1222 HydrophobicContact CG-CD 4.33Å; E1218-K1222 WeakPolarHBondContact O-CB 3.28Å; E1218-K1222 VanDerWaalsContact O-CG 3.3Å; E1218-K1222 WeakPolarHBondContact O-CG 3.27Å; E1218-K1222 PolarHBondContact O-N 3.29Å; E1218-K1222 WeakPolarHBondContact OE1-CE 3.4Å; E1218-K1222 IonicContact OE1-NZ 3Å; E1218-K1222 PolarHBondContact OE1-NZ 3.27Å; E1218-K1222 WeakPolarHBondContact OE2-CE 3.19Å; E1218-K1222 IonicContact OE2-NZ 2.75Å; E1218-K1222 PolarHBondContact OE2-NZ 3.29Å |
| 1219 | K | 82.8 | Confident | 79.4 | Confident | 133 Ų | 133 | 91.8 Ų | 91.8 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 173.5 | -173.2 | 178.1 | 179.2 | -178.2 | 0 | 112.5 | F1215 K1217 K1222 Q1223 | F1215-K1219 VanDerWaalsContact O-CB 3.32Å; F1215-K1219 WeakPolarHBondContact O-CB 3.4Å; F1215-K1219 PolarHBondContact O-N 2.91Å; K1217-K1219 VanDerWaalsContact C-N 3.31Å; K1217-K1219 PolarHBondContact O-N 2.82Å; K1219-K1222 PolarHBondContact O-N 3.07Å; K1219-Q1223 PolarHBondContact O-N 3.23Å |
| 1220 | Q | 78.4 | Confident | 79.4 | Confident | 109 Ų | 109 | 93.6 Ų | 93.6 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 174.7 | -75.8 | 178.3 | -5.9 | 0 | 0 | 111.7 | T1216 K1217 K1222 Q1223 Q1224 | T1216-Q1220 WeakPolarHBondContact O-CG 3.23Å; T1216-Q1220 PolarHBondContact O-N 3.44Å; K1217-Q1220 PolarHBondContact O-N 2.99Å; Q1220-K1222 PolarHBondContact O-N 2.8Å; Q1220-Q1223 PolarHBondContact O-N 2.67Å; Q1220-Q1224 PolarHBondContact O-N 2.98Å |
| 1221 | M | 75.3 | Confident | 79.4 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 29% | 0.286 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 178.8 | -70.8 | -167.5 | -69 | 0 | 0 | 112.8 | K1217 E1218 Q1223 N1225 Y1274 | K1217-M1221 PolarHBondContact O-N 3.39Å; E1218-M1221 PolarHBondContact O-N 2.82Å; M1221-Q1223 VanDerWaalsContact C-N 3.35Å; M1221-N1225 VanDerWaalsContact O-CB 3.31Å; M1221-N1225 WeakPolarHBondContact O-CB 3.48Å; M1221-N1225 PolarHBondContact O-N 3.05Å; M1221-N1225 PolarHBondContact O-ND2 2.8Å; M1221-Y1274 HydrophobicContact CE-CE2 4.26Å; M1221-Y1274 HydrophobicContact SD-CD2 4.08Å; M1221-Y1274 HydrophobicContact SD-CE2 4.27Å |
| 1222 | K | 79.8 | Confident | 79.1 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.5 | -79.5 | 172.3 | 175.5 | 170.3 | 0 | 111.5 | E1218 K1219 Q1220 S1226 | E1218-K1222 HydrophobicContact CG-CD 4.33Å; E1218-K1222 WeakPolarHBondContact O-CB 3.28Å; E1218-K1222 VanDerWaalsContact O-CG 3.3Å; E1218-K1222 WeakPolarHBondContact O-CG 3.27Å; E1218-K1222 PolarHBondContact O-N 3.29Å; E1218-K1222 WeakPolarHBondContact OE1-CE 3.4Å; E1218-K1222 IonicContact OE1-NZ 3Å; E1218-K1222 PolarHBondContact OE1-NZ 3.27Å; E1218-K1222 WeakPolarHBondContact OE2-CE 3.19Å; E1218-K1222 IonicContact OE2-NZ 2.75Å; E1218-K1222 PolarHBondContact OE2-NZ 3.29Å; K1219-K1222 PolarHBondContact O-N 3.07Å; Q1220-K1222 PolarHBondContact O-N 2.8Å; K1222-S1226 PolarHBondContact O-N 2.9Å; K1222-S1226 VanDerWaalsContact O-N 3.13Å |
| 1223 | Q | 81.5 | Confident | 79 | Confident | 111 Ų | 111 | 98.9 Ų | 98.9 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -50.6 | 176.6 | -179.4 | 171 | -22.2 | 0 | 0 | 112 | K1219 Q1220 M1221 N1225 S1226 E1227 | K1219-Q1223 PolarHBondContact O-N 3.23Å; Q1220-Q1223 PolarHBondContact O-N 2.67Å; M1221-Q1223 VanDerWaalsContact C-N 3.35Å; Q1223-N1225 VanDerWaalsContact C-N 3.28Å; Q1223-N1225 PolarHBondContact O-N 3.35Å; Q1223-S1226 WeakPolarHBondContact O-CA 3.49Å; Q1223-S1226 WeakPolarHBondContact O-CB 3.14Å; Q1223-S1226 PolarHBondContact O-N 2.98Å; Q1223-S1226 PolarHBondContact O-OG 3.29Å; Q1223-E1227 WeakPolarHBondContact CG-OE1 3.37Å; Q1223-E1227 PolarHBondContact NE2-OE1 3.34Å; Q1223-E1227 PolarHBondContact O-N 2.84Å |
| 1224 | Q | 78.1 | Confident | 79 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 177.2 | -71.5 | 177.6 | -25.8 | 0 | 0 | 112 | Q1220 S1226 E1227 L1228 | Q1220-Q1224 PolarHBondContact O-N 2.98Å; Q1224-S1226 PolarHBondContact O-N 3.38Å; Q1224-E1227 PolarHBondContact O-N 2.88Å; Q1224-L1228 WeakPolarHBondContact O-CG 3.41Å; Q1224-L1228 PolarHBondContact O-N 3.02Å |
| 1225 | N | 76.7 | Confident | 78.9 | Confident | 70 Ų | 70 | 98.3 Ų | 98.3 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.9 | -19.1 | 174 | -87.5 | -72.4 | 0 | 0 | 0 | 114.1 | M1221 Q1223 R1229 | M1221-N1225 VanDerWaalsContact O-CB 3.31Å; M1221-N1225 WeakPolarHBondContact O-CB 3.48Å; M1221-N1225 PolarHBondContact O-N 3.05Å; M1221-N1225 PolarHBondContact O-ND2 2.8Å; Q1223-N1225 VanDerWaalsContact C-N 3.28Å; Q1223-N1225 PolarHBondContact O-N 3.35Å; N1225-R1229 WeakPolarHBondContact O-CB 3.42Å; N1225-R1229 WeakPolarHBondContact O-CG 3.48Å; N1225-R1229 PolarHBondContact O-N 2.89Å; N1225-R1229 PolarHBondContact O-NE 3.27Å |
| 1226 | S | 79.8 | Confident | 78.7 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -80.5 | -42.7 | 172.4 | 81.1 | 0 | 0 | 0 | 0 | 111.1 | K1222 Q1223 Q1224 R1229 N1230 | K1222-S1226 PolarHBondContact O-N 2.9Å; K1222-S1226 VanDerWaalsContact O-N 3.13Å; Q1223-S1226 WeakPolarHBondContact O-CA 3.49Å; Q1223-S1226 WeakPolarHBondContact O-CB 3.14Å; Q1223-S1226 PolarHBondContact O-N 2.98Å; Q1223-S1226 PolarHBondContact O-OG 3.29Å; Q1224-S1226 PolarHBondContact O-N 3.38Å; S1226-R1229 PolarHBondContact O-N 3.33Å; S1226-N1230 WeakPolarHBondContact O-CB 3.48Å; S1226-N1230 VanDerWaalsContact O-CG 3.26Å; S1226-N1230 PolarHBondContact O-N 3.19Å; S1226-N1230 PolarHBondContact O-ND2 2.83Å |
| 1227 | E | 80.9 | Confident | 78.6 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 178.7 | -67.9 | 171.3 | -163.2 | 0 | 0 | 111.1 | Q1223 Q1224 N1230 R1231 | Q1223-E1227 WeakPolarHBondContact CG-OE1 3.37Å; Q1223-E1227 PolarHBondContact NE2-OE1 3.34Å; Q1223-E1227 PolarHBondContact O-N 2.84Å; Q1224-E1227 PolarHBondContact O-N 2.88Å; E1227-N1230 PolarHBondContact O-N 2.83Å; E1227-R1231 WeakPolarHBondContact O-CG 3.44Å; E1227-R1231 PolarHBondContact O-N 2.7Å |
| 1228 | L | 76.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 97 Ų | 97 | 32% | 0.319 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 173.4 | -71.5 | 171.9 | 0 | 0 | 0 | 112.2 | Q1224 N1230 R1231 L1232 L1270 | Q1224-L1228 WeakPolarHBondContact O-CG 3.41Å; Q1224-L1228 PolarHBondContact O-N 3.02Å; L1228-N1230 PolarHBondContact O-N 2.82Å; L1228-R1231 PolarHBondContact O-N 2.92Å; L1228-L1232 WeakPolarHBondContact O-CB 3.23Å; L1228-L1232 PolarHBondContact O-N 2.94Å; L1228-L1270 HydrophobicContact CD1-CD1 3.77Å |
| 1229 | R | 75.6 | Confident | 78 | Confident | 154 Ų | 154 | 94 Ų | 94 | 58% | 0.581 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.5 | -33.2 | 176.4 | -81.4 | -176.4 | -83.1 | -153.5 | -0 | 112.9 | N1225 S1226 K1233 | N1225-R1229 WeakPolarHBondContact O-CB 3.42Å; N1225-R1229 WeakPolarHBondContact O-CG 3.48Å; N1225-R1229 PolarHBondContact O-N 2.89Å; N1225-R1229 PolarHBondContact O-NE 3.27Å; S1226-R1229 PolarHBondContact O-N 3.33Å; R1229-K1233 WeakPolarHBondContact O-CG 3.15Å; R1229-K1233 PolarHBondContact O-N 2.75Å |
| 1230 | N | 81.4 | Confident | 77.5 | Confident | 98 Ų | 98 | 92.8 Ų | 92.8 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 173.9 | -71.4 | -20 | 0 | 0 | 0 | 111.5 | S1226 E1227 L1228 K1233 Q1234 | S1226-N1230 WeakPolarHBondContact O-CB 3.48Å; S1226-N1230 VanDerWaalsContact O-CG 3.26Å; S1226-N1230 PolarHBondContact O-N 3.19Å; S1226-N1230 PolarHBondContact O-ND2 2.83Å; E1227-N1230 PolarHBondContact O-N 2.83Å; L1228-N1230 PolarHBondContact O-N 2.82Å; N1230-K1233 PolarHBondContact O-N 2.96Å; N1230-Q1234 PolarHBondContact O-N 2.9Å |
| 1231 | R | 79.1 | Confident | 77.1 | Confident | 162 Ų | 162 | 91.5 Ų | 91.5 | 61% | 0.611 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 173 | -70.8 | 176.5 | 69.6 | 171.5 | 4 | 112.2 | E1227 L1228 Q1234 V1235 | E1227-R1231 WeakPolarHBondContact O-CG 3.44Å; E1227-R1231 PolarHBondContact O-N 2.7Å; L1228-R1231 PolarHBondContact O-N 2.92Å; R1231-Q1234 PolarHBondContact O-N 3.17Å; R1231-V1235 WeakPolarHBondContact O-CG2 3.46Å; R1231-V1235 PolarHBondContact O-N 2.8Å |
| 1232 | L | 76.4 | Confident | 76.5 | Confident | 58 Ų | 58 | 89.8 Ų | 89.8 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.9 | -176.1 | 63.5 | 0 | 0 | 0 | 111.7 | L1228 Q1234 V1235 L1236 L1260 | L1228-L1232 WeakPolarHBondContact O-CB 3.23Å; L1228-L1232 PolarHBondContact O-N 2.94Å; L1232-Q1234 VanDerWaalsContact C-N 3.33Å; L1232-Q1234 PolarHBondContact O-N 3.01Å; L1232-V1235 PolarHBondContact O-N 3.27Å; L1232-L1236 HydrophobicContact CD1-CD1 4.44Å; L1232-L1236 HydrophobicContact CD1-CG 4.46Å; L1232-L1236 HydrophobicContact CG-CD1 4.1Å; L1232-L1236 WeakPolarHBondContact O-CB 3.27Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 2.8Å; L1232-L1260 HydrophobicContact CD1-CD1 3.83Å |
| 1233 | K | 80.7 | Confident | 75.7 | Confident | 144 Ų | 144 | 89.3 Ų | 89.3 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.8 | -44 | 172.8 | -79.2 | 179 | 176.9 | -179.8 | 0 | 112.1 | R1229 N1230 L1236 Q1237 | R1229-K1233 WeakPolarHBondContact O-CG 3.15Å; R1229-K1233 PolarHBondContact O-N 2.75Å; N1230-K1233 PolarHBondContact O-N 2.96Å; K1233-L1236 PolarHBondContact O-N 3.41Å; K1233-Q1237 WeakPolarHBondContact O-CB 3.33Å; K1233-Q1237 PolarHBondContact O-N 3.5Å |
| 1234 | Q | 79.7 | Confident | 74.8 | Confident | 110 Ų | 110 | 91.2 Ų | 91.2 | 51% | 0.514 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -50 | 177.4 | -177.5 | -178.2 | -15.8 | 0 | 0 | 111.6 | N1230 R1231 L1232 L1236 Q1237 E1238 | N1230-Q1234 PolarHBondContact O-N 2.9Å; R1231-Q1234 PolarHBondContact O-N 3.17Å; L1232-Q1234 VanDerWaalsContact C-N 3.33Å; L1232-Q1234 PolarHBondContact O-N 3.01Å; Q1234-L1236 VanDerWaalsContact C-N 3.32Å; Q1234-L1236 PolarHBondContact O-N 2.81Å; Q1234-Q1237 PolarHBondContact O-N 3.05Å; Q1234-Q1237 VanDerWaalsContact O-N 3.1Å; Q1234-E1238 VanDerWaalsContact CG-OE1 3.32Å; Q1234-E1238 WeakPolarHBondContact CG-OE1 3.44Å; Q1234-E1238 PolarHBondContact NE2-OE1 2.82Å; Q1234-E1238 WeakPolarHBondContact O-CG 3.37Å; Q1234-E1238 PolarHBondContact O-N 3.16Å |
| 1235 | V | 77.4 | Confident | 73.9 | Confident | 19 Ų | 19 | 93.1 Ų | 93.1 | 12% | 0.115 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | R1231 L1232 E1238 L1239 I1259 L1260 | R1231-V1235 WeakPolarHBondContact O-CG2 3.46Å; R1231-V1235 PolarHBondContact O-N 2.8Å; L1232-V1235 PolarHBondContact O-N 3.27Å; V1235-E1238 PolarHBondContact O-N 2.78Å; V1235-L1239 VanDerWaalsContact O-CB 3.26Å; V1235-L1239 WeakPolarHBondContact O-CB 3.43Å; V1235-L1239 PolarHBondContact O-N 3.35Å; V1235-I1259 HydrophobicContact CG2-CG2 4.29Å; V1235-L1260 HydrophobicContact CG1-CB 4.29Å; V1235-L1260 HydrophobicContact CG1-CD1 4.12Å |
| 1236 | L | 75.3 | Confident | 72.6 | Confident | 85 Ų | 85 | 92.4 Ų | 92.4 | 45% | 0.445 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 174.1 | -71.9 | 170.4 | 0 | 0 | 0 | 112.2 | L1232 K1233 Q1234 L1239 E1240 L1260 | L1232-L1236 HydrophobicContact CD1-CD1 4.44Å; L1232-L1236 HydrophobicContact CD1-CG 4.46Å; L1232-L1236 HydrophobicContact CG-CD1 4.1Å; L1232-L1236 WeakPolarHBondContact O-CB 3.27Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 2.8Å; K1233-L1236 PolarHBondContact O-N 3.41Å; Q1234-L1236 VanDerWaalsContact C-N 3.32Å; Q1234-L1236 PolarHBondContact O-N 2.81Å; L1236-L1239 PolarHBondContact O-N 3.46Å; L1236-E1240 WeakPolarHBondContact O-CB 3.16Å; L1236-E1240 PolarHBondContact O-N 3.39Å; L1236-L1260 HydrophobicContact CD2-CD1 4.44Å |
| 1237 | Q | 79.5 | Confident | 71.6 | Confident | 141 Ų | 141 | 95.4 Ų | 95.4 | 66% | 0.659 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.4 | -37.3 | 177.6 | -169.7 | 171.6 | 0.3 | 0 | 0 | 112.4 | K1233 Q1234 T1241 | K1233-Q1237 WeakPolarHBondContact O-CB 3.33Å; K1233-Q1237 PolarHBondContact O-N 3.5Å; Q1234-Q1237 PolarHBondContact O-N 3.05Å; Q1234-Q1237 VanDerWaalsContact O-N 3.1Å; Q1237-T1241 WeakPolarHBondContact O-CB 3.29Å; Q1237-T1241 WeakPolarHBondContact O-CG2 3.46Å; Q1237-T1241 PolarHBondContact O-N 3.15Å; Q1237-T1241 PolarHBondContact O-OG1 3.38Å |
| 1238 | E | 74.1 | Confident | 70.5 | Confident | 70 Ų | 70 | 95.6 Ų | 95.6 | 33% | 0.327 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 172.2 | -71.5 | -179.6 | -153.3 | 0 | 0 | 112.2 | Q1234 V1235 T1241 S1242 L1256 | Q1234-E1238 VanDerWaalsContact CG-OE1 3.32Å; Q1234-E1238 WeakPolarHBondContact CG-OE1 3.44Å; Q1234-E1238 PolarHBondContact NE2-OE1 2.82Å; Q1234-E1238 WeakPolarHBondContact O-CG 3.37Å; Q1234-E1238 PolarHBondContact O-N 3.16Å; V1235-E1238 PolarHBondContact O-N 2.78Å; E1238-T1241 WeakPolarHBondContact CA-OG1 3.39Å; E1238-T1241 PolarHBondContact O-OG1 2.83Å; E1238-T1241 VanDerWaalsContact O-OG1 3.08Å; E1238-S1242 WeakPolarHBondContact O-CB 3.23Å; E1238-S1242 PolarHBondContact O-N 3.3Å; E1238-S1242 VanDerWaalsContact O-N 3.09Å; E1238-S1242 PolarHBondContact O-OG 2.92Å; E1238-L1256 HydrophobicContact CB-CD1 4.46Å; E1238-L1256 HydrophobicContact CB-CD2 4.3Å |
| 1239 | L | 68.7 | Low | 69.5 | Low | 15 Ų | 15 | 97 Ų | 97 | 8% | 0.079 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -74.9 | -39.2 | 176.9 | -168.5 | 146.9 | 0 | 0 | 0 | 112.1 | V1235 L1236 S1242 K1243 L1256 Q1257 L1260 | V1235-L1239 VanDerWaalsContact O-CB 3.26Å; V1235-L1239 WeakPolarHBondContact O-CB 3.43Å; V1235-L1239 PolarHBondContact O-N 3.35Å; L1236-L1239 PolarHBondContact O-N 3.46Å; L1239-S1242 PolarHBondContact O-N 2.82Å; L1239-K1243 HydrophobicContact CD2-CD 3.84Å; L1239-K1243 HydrophobicContact CD2-CG 4.4Å; L1239-K1243 WeakPolarHBondContact O-CG 3.36Å; L1239-K1243 PolarHBondContact O-N 2.83Å; L1239-L1256 HydrophobicContact CD1-CB 4.29Å; L1239-Q1257 HydrophobicContact CD1-CG 4.23Å; L1239-L1260 HydrophobicContact CD1-CD2 4.27Å |
| 1240 | E | 71.6 | Confident | 69 | Low | 109 Ų | 109 | 91.9 Ų | 91.9 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73 | -34.5 | 176.8 | -162.2 | -174 | 141.9 | 0 | 0 | 112.6 | L1236 K1243 K1244 | L1236-E1240 WeakPolarHBondContact O-CB 3.16Å; L1236-E1240 PolarHBondContact O-N 3.39Å; E1240-K1243 PolarHBondContact O-N 2.81Å; E1240-K1244 WeakPolarHBondContact O-CG 3.26Å; E1240-K1244 PolarHBondContact O-N 2.82Å; E1240-K1244 VanDerWaalsContact OE1-CE 3.29Å; E1240-K1244 WeakPolarHBondContact OE1-CE 3.32Å; E1240-K1244 IonicContact OE1-NZ 2.67Å; E1240-K1244 PolarHBondContact OE1-NZ 2.81Å |
| 1241 | T | 70.9 | Confident | 68.6 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 170.4 | 47 | 0 | 0 | 0 | 0 | 111.8 | Q1237 E1238 K1244 | Q1237-T1241 WeakPolarHBondContact O-CB 3.29Å; Q1237-T1241 WeakPolarHBondContact O-CG2 3.46Å; Q1237-T1241 PolarHBondContact O-N 3.15Å; Q1237-T1241 PolarHBondContact O-OG1 3.38Å; E1238-T1241 WeakPolarHBondContact CA-OG1 3.39Å; E1238-T1241 PolarHBondContact O-OG1 2.83Å; E1238-T1241 VanDerWaalsContact O-OG1 3.08Å; T1241-K1244 PolarHBondContact O-N 3.44Å |
| 1242 | S | 62.4 | Low | 68.2 | Low | 23 Ų | 23 | 96.7 Ų | 96.7 | 16% | 0.161 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 173 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | E1238 L1239 K1244 L1245 | E1238-S1242 WeakPolarHBondContact O-CB 3.23Å; E1238-S1242 PolarHBondContact O-N 3.3Å; E1238-S1242 VanDerWaalsContact O-N 3.09Å; E1238-S1242 PolarHBondContact O-OG 2.92Å; L1239-S1242 PolarHBondContact O-N 2.82Å; S1242-K1244 PolarHBondContact O-N 2.72Å; S1242-L1245 PolarHBondContact O-N 3.35Å; S1242-L1245 VanDerWaalsContact O-N 3.16Å |
| 1243 | K | 62.3 | Low | 67.8 | Low | 108 Ų | 108 | 94.8 Ų | 94.8 | 47% | 0.47 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -22.4 | 179.4 | -82 | -176.5 | 173.3 | 176.4 | 0 | 114.7 | L1239 E1240 L1245 E1253 | L1239-K1243 HydrophobicContact CD2-CD 3.84Å; L1239-K1243 HydrophobicContact CD2-CG 4.4Å; L1239-K1243 WeakPolarHBondContact O-CG 3.36Å; L1239-K1243 PolarHBondContact O-N 2.83Å; E1240-K1243 PolarHBondContact O-N 2.81Å; K1243-L1245 PolarHBondContact O-N 3.13Å; K1243-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1243-E1253 WeakPolarHBondContact CG-OE1 3.27Å; K1243-E1253 IonicContact NZ-OE1 3.74Å |
| 1244 | K | 63.7 | Low | 67.6 | Low | 150 Ų | 150 | 92 Ų | 92 | 65% | 0.652 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -1.5 | 177.4 | -73.5 | 169.3 | -174.9 | 167.7 | 0 | 113.9 | E1240 T1241 S1242 | E1240-K1244 WeakPolarHBondContact O-CG 3.26Å; E1240-K1244 PolarHBondContact O-N 2.82Å; E1240-K1244 VanDerWaalsContact OE1-CE 3.29Å; E1240-K1244 WeakPolarHBondContact OE1-CE 3.32Å; E1240-K1244 IonicContact OE1-NZ 2.67Å; E1240-K1244 PolarHBondContact OE1-NZ 2.81Å; T1241-K1244 PolarHBondContact O-N 3.44Å; S1242-K1244 PolarHBondContact O-N 2.72Å |
| 1245 | L | 58.7 | Low | 67.4 | Low | 152 Ų | 152 | 90.7 Ų | 90.7 | 80% | 0.796 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -114.2 | -8.1 | -174.4 | -67.9 | 170.3 | 0 | 0 | 0 | 115.3 | S1242 K1243 | S1242-L1245 PolarHBondContact O-N 3.35Å; S1242-L1245 VanDerWaalsContact O-N 3.16Å; K1243-L1245 PolarHBondContact O-N 3.13Å |
| 1246 | S | 50.6 | Low | 67.3 | Low | 54 Ų | 54 | 90.3 Ų | 90.3 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | trans | -152.9 | 142.6 | -178.8 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | T1248 | S1246-T1248 WeakPolarHBondContact CB-O 3.45Å; S1246-T1248 PolarHBondContact OG-N 3Å; S1246-T1248 VanDerWaalsContact OG-N 3.15Å; S1246-T1248 PolarHBondContact OG-O 2.95Å | ||
| 1247 | A | 57.5 | Low | 67.3 | Low | 113 Ų | 113 | 90.5 Ų | 90.5 | 93% | 0.934 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -87.6 | -6.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1248 | T | 57.8 | Low | 67.5 | Low | 101 Ų | 101 | 88.9 Ų | 88.9 | 62% | 0.62 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -120.1 | 140.3 | 173.7 | 27.1 | 0 | 0 | 0 | 0 | 110.4 | S1246 S1250 | S1246-T1248 WeakPolarHBondContact CB-O 3.45Å; S1246-T1248 PolarHBondContact OG-N 3Å; S1246-T1248 VanDerWaalsContact OG-N 3.15Å; S1246-T1248 PolarHBondContact OG-O 2.95Å; T1248-S1250 PolarHBondContact O-N 2.89Å; T1248-S1250 VanDerWaalsContact O-N 3.14Å |
| 1249 | P | 55.9 | Low | 67.7 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | trans | -58.3 | 120.3 | -178.5 | -24.4 | 34.1 | 0 | 0 | 0 | 111.4 | E1253 | P1249-E1253 WeakPolarHBondContact CA-OE2 3.16Š| ||
| 1250 | S | 64.5 | Low | 68.1 | Low | 46 Ų | 46 | 90.4 Ų | 90.4 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | trans | -76.6 | 157.2 | 175.1 | 78.3 | 0 | 0 | 0 | 0 | 110.2 | T1248 R1252 E1253 I1254 | T1248-S1250 PolarHBondContact O-N 2.89Å; T1248-S1250 VanDerWaalsContact O-N 3.14Å; S1250-R1252 PolarHBondContact O-N 2.68Å; S1250-R1252 VanDerWaalsContact O-N 3.15Å; S1250-R1252 PolarHBondContact OG-N 3.33Å; S1250-E1253 WeakPolarHBondContact O-CA 3.32Å; S1250-E1253 WeakPolarHBondContact O-CB 3.2Å; S1250-E1253 PolarHBondContact O-N 3.03Å; S1250-E1253 PolarHBondContact OG-N 3.29Å; S1250-E1253 VanDerWaalsContact OG-N 3.07Å; S1250-I1254 PolarHBondContact O-N 3.2Å; S1250-I1254 VanDerWaalsContact O-N 3.11Å | ||
| 1251 | R | 73.3 | Confident | 68.6 | Low | 196 Ų | 196 | 90 Ų | 90 | 74% | 0.74 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -52.7 | -36.5 | 171.1 | 176.1 | 176.8 | 167.6 | 161.8 | 2.3 | 112.1 | E1253 I1254 E1255 | R1251-E1253 VanDerWaalsContact C-N 3.34Å; R1251-I1254 PolarHBondContact O-N 2.92Å; R1251-E1255 IonicContact CZ-OE1 3.46Å; R1251-E1255 IonicContact NE-OE1 2.77Å; R1251-E1255 PolarHBondContact NE-OE1 3.2Å; R1251-E1255 IonicContact NH2-OE1 3.22Å; R1251-E1255 PolarHBondContact NH2-OE1 3.17Å; R1251-E1255 WeakPolarHBondContact O-CG 3.18Å; R1251-E1255 PolarHBondContact O-N 3.45Å |
| 1252 | R | 72.3 | Confident | 69.1 | Low | 166 Ų | 166 | 87.8 Ų | 87.8 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.3 | -29 | 177.1 | -166.8 | 174.6 | -176.6 | 118.7 | 1.7 | 112.7 | S1250 L1256 | S1250-R1252 PolarHBondContact O-N 2.68Å; S1250-R1252 VanDerWaalsContact O-N 3.15Å; S1250-R1252 PolarHBondContact OG-N 3.33Å; R1252-L1256 HydrophobicContact CG-CD1 4.44Å; R1252-L1256 WeakPolarHBondContact O-CB 3.39Å; R1252-L1256 VanDerWaalsContact O-CG 3.26Å; R1252-L1256 WeakPolarHBondContact O-CG 3.14Å; R1252-L1256 PolarHBondContact O-N 2.8Å |
| 1253 | E | 66.4 | Low | 69.8 | Low | 18 Ų | 18 | 88.8 Ų | 88.8 | 8% | 0.084 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 172.2 | -170.2 | 175.4 | 178 | 0 | 0 | 111.1 | K1243 P1249 S1250 R1251 L1256 Q1257 | K1243-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1243-E1253 WeakPolarHBondContact CG-OE1 3.27Å; K1243-E1253 IonicContact NZ-OE1 3.74Å; P1249-E1253 WeakPolarHBondContact CA-OE2 3.16Å; S1250-E1253 WeakPolarHBondContact O-CA 3.32Å; S1250-E1253 WeakPolarHBondContact O-CB 3.2Å; S1250-E1253 PolarHBondContact O-N 3.03Å; S1250-E1253 PolarHBondContact OG-N 3.29Å; S1250-E1253 VanDerWaalsContact OG-N 3.07Å; R1251-E1253 VanDerWaalsContact C-N 3.34Å; E1253-L1256 CarbonylContact O-C 3.58Å; E1253-L1256 PolarHBondContact O-N 3.45Å; E1253-Q1257 WeakPolarHBondContact O-CB 3.46Å; E1253-Q1257 VanDerWaalsContact O-CG 3.3Å; E1253-Q1257 WeakPolarHBondContact O-CG 3.13Å; E1253-Q1257 PolarHBondContact O-N 2.77Å |
| 1254 | I | 76.1 | Confident | 70.5 | Confident | 85 Ų | 85 | 87.5 Ų | 87.5 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 173.2 | -61 | 171.4 | 0 | 0 | 0 | 110.7 | S1250 R1251 Q1257 N1258 | S1250-I1254 PolarHBondContact O-N 3.2Å; S1250-I1254 VanDerWaalsContact O-N 3.11Å; R1251-I1254 PolarHBondContact O-N 2.92Å; I1254-Q1257 PolarHBondContact O-N 2.8Å; I1254-N1258 VanDerWaalsContact O-CG 3.3Å; I1254-N1258 PolarHBondContact O-N 2.96Å; I1254-N1258 PolarHBondContact O-ND2 2.97Å |
| 1255 | E | 77.2 | Confident | 71.4 | Confident | 83 Ų | 83 | 85.6 Ų | 85.6 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.7 | -72.7 | 165.2 | 179.9 | 0 | 0 | 111.4 | R1251 N1258 I1259 | R1251-E1255 IonicContact CZ-OE1 3.46Å; R1251-E1255 IonicContact NE-OE1 2.77Å; R1251-E1255 PolarHBondContact NE-OE1 3.2Å; R1251-E1255 IonicContact NH2-OE1 3.22Å; R1251-E1255 PolarHBondContact NH2-OE1 3.17Å; R1251-E1255 WeakPolarHBondContact O-CG 3.18Å; R1251-E1255 PolarHBondContact O-N 3.45Å; E1255-N1258 PolarHBondContact O-N 3.46Å; E1255-I1259 VanDerWaalsContact O-CG1 3.3Å; E1255-I1259 WeakPolarHBondContact O-CG1 3.27Å; E1255-I1259 PolarHBondContact O-N 3.27Å |
| 1256 | L | 74.5 | Confident | 72.4 | Confident | 10 Ų | 10 | 85.2 Ų | 85.2 | 5% | 0.052 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 173.2 | -75.7 | 169.4 | 0 | 0 | 0 | 113.3 | E1238 L1239 R1252 E1253 I1259 L1260 | E1238-L1256 HydrophobicContact CB-CD1 4.46Å; E1238-L1256 HydrophobicContact CB-CD2 4.3Å; L1239-L1256 HydrophobicContact CD1-CB 4.29Å; R1252-L1256 HydrophobicContact CG-CD1 4.44Å; R1252-L1256 WeakPolarHBondContact O-CB 3.39Å; R1252-L1256 VanDerWaalsContact O-CG 3.26Å; R1252-L1256 WeakPolarHBondContact O-CG 3.14Å; R1252-L1256 PolarHBondContact O-N 2.8Å; E1253-L1256 CarbonylContact O-C 3.58Å; E1253-L1256 PolarHBondContact O-N 3.45Å; L1256-I1259 PolarHBondContact O-N 3.1Å; L1256-L1260 VanDerWaalsContact O-CB 3.32Å; L1256-L1260 WeakPolarHBondContact O-CB 3.31Å; L1256-L1260 PolarHBondContact O-N 3.18Å |
| 1257 | Q | 76.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 42% | 0.416 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 173.9 | -77.7 | 179.8 | -59.7 | 0 | 0 | 111.7 | L1239 E1253 I1254 L1260 H1261 | L1239-Q1257 HydrophobicContact CD1-CG 4.23Å; E1253-Q1257 WeakPolarHBondContact O-CB 3.46Å; E1253-Q1257 VanDerWaalsContact O-CG 3.3Å; E1253-Q1257 WeakPolarHBondContact O-CG 3.13Å; E1253-Q1257 PolarHBondContact O-N 2.77Å; I1254-Q1257 PolarHBondContact O-N 2.8Å; Q1257-L1260 PolarHBondContact O-N 3.02Å; Q1257-H1261 WeakPolarHBondContact O-CB 3.44Å; Q1257-H1261 PolarHBondContact O-N 3Å |
| 1258 | N | 82 | Confident | 74.8 | Confident | 108 Ų | 108 | 86.2 Ų | 86.2 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.8 | -38 | 173.5 | -70.5 | -17.5 | 0 | 0 | 0 | 111.8 | I1254 E1255 G1262 | I1254-N1258 VanDerWaalsContact O-CG 3.3Å; I1254-N1258 PolarHBondContact O-N 2.96Å; I1254-N1258 PolarHBondContact O-ND2 2.97Å; E1255-N1258 PolarHBondContact O-N 3.46Å; N1258-G1262 PolarHBondContact O-N 3.01Å |
| 1259 | I | 79.5 | Confident | 75.9 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 172.6 | -70.4 | 165 | 0 | 0 | 0 | 110.8 | V1235 E1255 L1256 G1262 T1263 | V1235-I1259 HydrophobicContact CG2-CG2 4.29Å; E1255-I1259 VanDerWaalsContact O-CG1 3.3Å; E1255-I1259 WeakPolarHBondContact O-CG1 3.27Å; E1255-I1259 PolarHBondContact O-N 3.27Å; L1256-I1259 PolarHBondContact O-N 3.1Å; I1259-G1262 PolarHBondContact O-N 3.02Å; I1259-T1263 PolarHBondContact O-N 3.12Å; I1259-T1263 PolarHBondContact O-OG1 3.48Å |
| 1260 | L | 76.8 | Confident | 76.9 | Confident | 27 Ų | 27 | 87 Ų | 87 | 14% | 0.141 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.5 | -51.3 | 176.4 | -177.3 | 69.5 | 0 | 0 | 0 | 110.6 | L1232 V1235 L1236 L1239 L1256 Q1257 G1262 T1263 E1264 | L1232-L1260 HydrophobicContact CD1-CD1 3.83Å; V1235-L1260 HydrophobicContact CG1-CB 4.29Å; V1235-L1260 HydrophobicContact CG1-CD1 4.12Å; L1236-L1260 HydrophobicContact CD2-CD1 4.44Å; L1239-L1260 HydrophobicContact CD1-CD2 4.27Å; L1256-L1260 VanDerWaalsContact O-CB 3.32Å; L1256-L1260 WeakPolarHBondContact O-CB 3.31Å; L1256-L1260 PolarHBondContact O-N 3.18Å; Q1257-L1260 PolarHBondContact O-N 3.02Å; L1260-G1262 VanDerWaalsContact C-N 3.33Å; L1260-G1262 PolarHBondContact O-N 3.45Å; L1260-T1263 CarbonylContact O-C 3.59Å; L1260-T1263 WeakPolarHBondContact O-CA 3.4Å; L1260-T1263 PolarHBondContact O-N 2.67Å; L1260-T1263 PolarHBondContact O-OG1 3.11Å; L1260-E1264 WeakPolarHBondContact O-CG 3.37Å; L1260-E1264 PolarHBondContact O-N 2.93Å |
| 1261 | H | 82 | Confident | 77.6 | Confident | 100 Ų | 100 | 90.3 Ų | 90.3 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.5 | -167.3 | 48.7 | 0 | 0 | 0 | 112.1 | Q1257 T1263 E1264 E1265 | Q1257-H1261 WeakPolarHBondContact O-CB 3.44Å; Q1257-H1261 PolarHBondContact O-N 3Å; H1261-T1263 VanDerWaalsContact C-N 3.26Å; H1261-T1263 PolarHBondContact O-N 3.33Å; H1261-E1264 IonicContact ND1-OE2 3.16Å; H1261-E1264 PolarHBondContact O-N 3.09Å; H1261-E1265 WeakPolarHBondContact O-CB 3.45Å; H1261-E1265 WeakPolarHBondContact O-CG 3.49Å; H1261-E1265 PolarHBondContact O-N 3.1Å |
| 1262 | G | 82.2 | Confident | 78 | Confident | 35 Ų | 35 | 86.4 Ų | 86.4 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.6 | -20.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1258 I1259 L1260 K1266 | N1258-G1262 PolarHBondContact O-N 3.01Å; I1259-G1262 PolarHBondContact O-N 3.02Å; L1260-G1262 VanDerWaalsContact C-N 3.33Å; L1260-G1262 PolarHBondContact O-N 3.45Å; G1262-K1266 WeakPolarHBondContact O-CG 3.44Å |
| 1263 | T | 76.7 | Confident | 78.3 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -87.1 | -31.9 | 168.2 | 56.4 | 0 | 0 | 0 | 0 | 113 | I1259 L1260 H1261 L1267 | I1259-T1263 PolarHBondContact O-N 3.12Å; I1259-T1263 PolarHBondContact O-OG1 3.48Å; L1260-T1263 CarbonylContact O-C 3.59Å; L1260-T1263 WeakPolarHBondContact O-CA 3.4Å; L1260-T1263 PolarHBondContact O-N 2.67Å; L1260-T1263 PolarHBondContact O-OG1 3.11Å; H1261-T1263 VanDerWaalsContact C-N 3.26Å; H1261-T1263 PolarHBondContact O-N 3.33Å; T1263-L1267 WeakPolarHBondContact O-CB 3.35Å; T1263-L1267 PolarHBondContact O-N 2.91Å |
| 1264 | E | 77.3 | Confident | 78.7 | Confident | 81 Ų | 81 | 88.9 Ų | 88.9 | 38% | 0.379 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 174.1 | -71.6 | 173.5 | 168.5 | 0 | 0 | 112.1 | L1260 H1261 L1267 K1268 | L1260-E1264 WeakPolarHBondContact O-CG 3.37Å; L1260-E1264 PolarHBondContact O-N 2.93Å; H1261-E1264 IonicContact ND1-OE2 3.16Å; H1261-E1264 PolarHBondContact O-N 3.09Å; E1264-L1267 PolarHBondContact O-N 3.44Å; E1264-K1268 WeakPolarHBondContact O-CG 3.44Å; E1264-K1268 PolarHBondContact O-N 2.93Å |
| 1265 | E | 81.9 | Confident | 78.9 | Confident | 109 Ų | 109 | 86.9 Ų | 86.9 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 172.2 | -76.2 | -94.7 | 101.7 | 0 | 0 | 110.9 | H1261 L1267 K1268 Q1269 | H1261-E1265 WeakPolarHBondContact O-CB 3.45Å; H1261-E1265 WeakPolarHBondContact O-CG 3.49Å; H1261-E1265 PolarHBondContact O-N 3.1Å; E1265-L1267 VanDerWaalsContact C-N 3.32Å; E1265-L1267 PolarHBondContact O-N 3.35Å; E1265-K1268 PolarHBondContact O-N 3.35Å; E1265-Q1269 PolarHBondContact O-N 3.36Å |
| 1266 | K | 80.4 | Confident | 79.1 | Confident | 145 Ų | 145 | 86.5 Ų | 86.5 | 63% | 0.63 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.2 | -34 | 177.9 | -72.5 | -178 | 178.5 | -172.5 | 0 | 112.9 | G1262 Q1269 L1270 | G1262-K1266 WeakPolarHBondContact O-CG 3.44Å; K1266-Q1269 PolarHBondContact O-N 2.93Å; K1266-L1270 WeakPolarHBondContact O-CB 3.41Å; K1266-L1270 PolarHBondContact O-N 3.43Å |
| 1267 | L | 76.2 | Confident | 79.1 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 173.8 | -170.1 | 73.7 | 0 | 0 | 0 | 111.1 | T1263 E1264 E1265 Q1269 Q1271 | T1263-L1267 WeakPolarHBondContact O-CB 3.35Å; T1263-L1267 PolarHBondContact O-N 2.91Å; E1264-L1267 PolarHBondContact O-N 3.44Å; E1265-L1267 VanDerWaalsContact C-N 3.32Å; E1265-L1267 PolarHBondContact O-N 3.35Å; L1267-Q1269 PolarHBondContact O-N 2.62Å; L1267-Q1271 WeakPolarHBondContact O-CB 3.45Å; L1267-Q1271 VanDerWaalsContact O-CG 3.27Å; L1267-Q1271 WeakPolarHBondContact O-CG 3.34Å; L1267-Q1271 PolarHBondContact O-N 2.9Å |
| 1268 | K | 82.6 | Confident | 79.2 | Confident | 123 Ų | 123 | 89 Ų | 89 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 175 | -73.4 | 174.3 | -177.7 | 172.5 | 0 | 112.1 | E1264 E1265 Q1271 L1272 | E1264-K1268 WeakPolarHBondContact O-CG 3.44Å; E1264-K1268 PolarHBondContact O-N 2.93Å; E1265-K1268 PolarHBondContact O-N 3.35Å; K1268-Q1271 WeakPolarHBondContact O-CB 3.21Å; K1268-Q1271 PolarHBondContact O-N 3.1Å; K1268-L1272 PolarHBondContact O-N 3.4Å |
| 1269 | Q | 79.9 | Confident | 79.1 | Confident | 128 Ų | 128 | 89 Ų | 89 | 60% | 0.598 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.9 | -42.6 | -178.7 | -163.9 | 160.5 | 13.5 | 0 | 0 | 111.6 | E1265 K1266 L1267 Q1271 L1272 E1273 | E1265-Q1269 PolarHBondContact O-N 3.36Å; K1266-Q1269 PolarHBondContact O-N 2.93Å; L1267-Q1269 PolarHBondContact O-N 2.62Å; Q1269-Q1271 VanDerWaalsContact C-N 3.32Å; Q1269-Q1271 PolarHBondContact O-N 2.88Å; Q1269-L1272 WeakPolarHBondContact O-CB 3.49Å; Q1269-L1272 PolarHBondContact O-N 2.65Å; Q1269-L1272 VanDerWaalsContact O-N 3.17Å; Q1269-E1273 PolarHBondContact O-N 2.74Å |
| 1270 | L | 76.2 | Confident | 79 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 41% | 0.408 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 170.5 | -86 | 161 | 0 | 0 | 0 | 113.2 | L1228 K1266 L1272 Y1274 | L1228-L1270 HydrophobicContact CD1-CD1 3.77Å; K1266-L1270 WeakPolarHBondContact O-CB 3.41Å; K1266-L1270 PolarHBondContact O-N 3.43Å; L1270-L1272 VanDerWaalsContact C-N 3.35Å; L1270-Y1274 VanDerWaalsContact O-CB 3.3Å; L1270-Y1274 WeakPolarHBondContact O-CB 3.41Å; L1270-Y1274 PolarHBondContact O-N 3.18Å |
| 1271 | Q | 79.1 | Confident | 79 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.2 | -33.7 | 172.9 | -78 | 176.6 | -33.2 | 0 | 0 | 112.4 | L1267 K1268 Q1269 A1275 | L1267-Q1271 WeakPolarHBondContact O-CB 3.45Å; L1267-Q1271 VanDerWaalsContact O-CG 3.27Å; L1267-Q1271 WeakPolarHBondContact O-CG 3.34Å; L1267-Q1271 PolarHBondContact O-N 2.9Å; K1268-Q1271 WeakPolarHBondContact O-CB 3.21Å; K1268-Q1271 PolarHBondContact O-N 3.1Å; Q1269-Q1271 VanDerWaalsContact C-N 3.32Å; Q1269-Q1271 PolarHBondContact O-N 2.88Å; Q1271-A1275 WeakPolarHBondContact O-CB 3.41Å; Q1271-A1275 PolarHBondContact O-N 3.23Å |
| 1272 | L | 82 | Confident | 78.9 | Confident | 113 Ų | 113 | 93.1 Ų | 93.1 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70 | -49.2 | 174.7 | -150.5 | 81.8 | 0 | 0 | 0 | 110.9 | K1268 Q1269 L1270 Y1274 A1275 D1276 | K1268-L1272 PolarHBondContact O-N 3.4Å; Q1269-L1272 WeakPolarHBondContact O-CB 3.49Å; Q1269-L1272 PolarHBondContact O-N 2.65Å; Q1269-L1272 VanDerWaalsContact O-N 3.17Å; L1270-L1272 VanDerWaalsContact C-N 3.35Å; L1272-Y1274 VanDerWaalsContact C-N 3.28Å; L1272-Y1274 PolarHBondContact O-N 3.18Å; L1272-A1275 PolarHBondContact O-N 3.41Å; L1272-A1275 VanDerWaalsContact O-N 3.1Å; L1272-D1276 PolarHBondContact O-N 3.38Å |
| 1273 | E | 79.4 | Confident | 78.8 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 175.4 | -72.3 | -179.8 | 154.1 | 0 | 0 | 112 | Q1269 Q1277 | Q1269-E1273 PolarHBondContact O-N 2.74Å; E1273-Q1277 WeakPolarHBondContact O-CB 3.41Å; E1273-Q1277 VanDerWaalsContact O-CG 3.24Å; E1273-Q1277 WeakPolarHBondContact O-CG 3.42Å; E1273-Q1277 PolarHBondContact O-N 2.77Å |
| 1274 | Y | 74.2 | Confident | 78.8 | Confident | 134 Ų | 134 | 99.3 Ų | 99.3 | 53% | 0.525 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -43 | 174.6 | -179.1 | -107.6 | 0 | 0 | 0 | 112.3 | M1221 L1270 L1272 Q1277 C1278 | M1221-Y1274 HydrophobicContact CE-CE2 4.26Å; M1221-Y1274 HydrophobicContact SD-CD2 4.08Å; M1221-Y1274 HydrophobicContact SD-CE2 4.27Å; L1270-Y1274 VanDerWaalsContact O-CB 3.3Å; L1270-Y1274 WeakPolarHBondContact O-CB 3.41Å; L1270-Y1274 PolarHBondContact O-N 3.18Å; L1272-Y1274 VanDerWaalsContact C-N 3.28Å; L1272-Y1274 PolarHBondContact O-N 3.18Å; Y1274-Q1277 PolarHBondContact O-N 2.85Å; Y1274-C1278 WeakPolarHBondContact O-CB 3.38Å; Y1274-C1278 PolarHBondContact O-N 3.15Å; Y1274-C1278 PolarHBondContact O-SG 3.45Å |
| 1275 | A | 81.1 | Confident | 79 | Confident | 43 Ų | 43 | 100.2 Ų | 100.2 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1271 L1272 C1278 K1279 | Q1271-A1275 WeakPolarHBondContact O-CB 3.41Å; Q1271-A1275 PolarHBondContact O-N 3.23Å; L1272-A1275 PolarHBondContact O-N 3.41Å; L1272-A1275 VanDerWaalsContact O-N 3.1Å; A1275-C1278 PolarHBondContact O-N 2.73Å; A1275-K1279 PolarHBondContact O-N 3.31Å; A1275-K1279 VanDerWaalsContact O-N 3.13Å |
| 1276 | D | 80.3 | Confident | 79 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 40% | 0.401 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.4 | -30.6 | 178.3 | -67.8 | -29.8 | 0 | 0 | 0 | 112.2 | L1272 K1279 S1280 | L1272-D1276 PolarHBondContact O-N 3.38Å; D1276-K1279 IonicContact OD1-NZ 2.82Å; D1276-K1279 PolarHBondContact OD1-NZ 3.2Å; D1276-S1280 WeakPolarHBondContact O-CB 3.29Å; D1276-S1280 PolarHBondContact O-N 2.77Å |
| 1277 | Q | 75.8 | Confident | 79 | Confident | 110 Ų | 110 | 97.6 Ų | 97.6 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 167.6 | -76.5 | 175.5 | 24.5 | 0 | 0 | 112.3 | E1273 Y1274 S1280 L1281 | E1273-Q1277 WeakPolarHBondContact O-CB 3.41Å; E1273-Q1277 VanDerWaalsContact O-CG 3.24Å; E1273-Q1277 WeakPolarHBondContact O-CG 3.42Å; E1273-Q1277 PolarHBondContact O-N 2.77Å; Y1274-Q1277 PolarHBondContact O-N 2.85Å; Q1277-S1280 PolarHBondContact O-N 2.81Å; Q1277-L1281 WeakPolarHBondContact O-CG 3.33Å; Q1277-L1281 PolarHBondContact O-N 2.9Å |
| 1278 | C | 77.1 | Confident | 79 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 29% | 0.291 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.7 | -74.4 | 0 | 0 | 0 | 0 | 112.1 | Y1274 A1275 S1280 L1281 E1282 | Y1274-C1278 WeakPolarHBondContact O-CB 3.38Å; Y1274-C1278 PolarHBondContact O-N 3.15Å; Y1274-C1278 PolarHBondContact O-SG 3.45Å; A1275-C1278 PolarHBondContact O-N 2.73Å; C1278-S1280 PolarHBondContact O-N 3.39Å; C1278-L1281 PolarHBondContact O-N 3.48Å; C1278-E1282 PolarHBondContact O-N 3.2Å |
| 1279 | K | 81.4 | Confident | 78.9 | Confident | 108 Ų | 108 | 97.4 Ų | 97.4 | 47% | 0.47 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.7 | -68.8 | 175 | -164.7 | 151 | 0 | 112.6 | A1275 D1276 L1281 E1282 E1283 | A1275-K1279 PolarHBondContact O-N 3.31Å; A1275-K1279 VanDerWaalsContact O-N 3.13Å; D1276-K1279 IonicContact OD1-NZ 2.82Å; D1276-K1279 PolarHBondContact OD1-NZ 3.2Å; K1279-L1281 PolarHBondContact O-N 2.76Å; K1279-E1282 PolarHBondContact O-N 2.77Å; K1279-E1282 VanDerWaalsContact O-N 3.14Å; K1279-E1283 PolarHBondContact O-N 3.43Å |
| 1280 | S | 76.9 | Confident | 78.8 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 178.3 | -172.9 | 0 | 0 | 0 | 0 | 112 | D1276 Q1277 C1278 L1284 | D1276-S1280 WeakPolarHBondContact O-CB 3.29Å; D1276-S1280 PolarHBondContact O-N 2.77Å; Q1277-S1280 PolarHBondContact O-N 2.81Å; C1278-S1280 PolarHBondContact O-N 3.39Å; S1280-L1284 WeakPolarHBondContact O-CB 3.37Å; S1280-L1284 WeakPolarHBondContact O-CD1 3.49Å; S1280-L1284 VanDerWaalsContact O-CG 3.25Å; S1280-L1284 WeakPolarHBondContact O-CG 3.29Å; S1280-L1284 PolarHBondContact O-N 2.7Å; S1280-L1284 VanDerWaalsContact O-N 3.1Å |
| 1281 | L | 76.4 | Confident | 78.7 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.2 | -40.8 | 171 | -71.9 | 168.7 | 0 | 0 | 0 | 112.5 | Q1277 C1278 K1279 L1284 Q1285 | Q1277-L1281 WeakPolarHBondContact O-CG 3.33Å; Q1277-L1281 PolarHBondContact O-N 2.9Å; C1278-L1281 PolarHBondContact O-N 3.48Å; K1279-L1281 PolarHBondContact O-N 2.76Å; L1281-L1284 PolarHBondContact O-N 3.25Å; L1281-Q1285 VanDerWaalsContact O-CB 3.29Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.48Å; L1281-Q1285 PolarHBondContact O-N 2.85Å |
| 1282 | E | 80.2 | Confident | 78.4 | Confident | 128 Ų | 128 | 99 Ų | 99 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 173.6 | -71.6 | 177.4 | 145.7 | 0 | 0 | 111.9 | C1278 K1279 L1284 Q1285 I1286 | C1278-E1282 PolarHBondContact O-N 3.2Å; K1279-E1282 PolarHBondContact O-N 2.77Å; K1279-E1282 VanDerWaalsContact O-N 3.14Å; E1282-L1284 VanDerWaalsContact C-N 3.32Å; E1282-L1284 PolarHBondContact O-N 2.9Å; E1282-Q1285 PolarHBondContact O-N 3.37Å; E1282-I1286 VanDerWaalsContact O-CG1 3.28Å; E1282-I1286 WeakPolarHBondContact O-CG1 3.42Å; E1282-I1286 PolarHBondContact O-N 2.8Å |
| 1283 | E | 79.6 | Confident | 78.1 | Confident | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 175.1 | -75.1 | -175.6 | -154.2 | 0 | 0 | 113.4 | K1279 K1287 | K1279-E1283 PolarHBondContact O-N 3.43Å; E1283-K1287 WeakPolarHBondContact O-CD 3.47Å; E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 3.32Å |
| 1284 | L | 77 | Confident | 77.8 | Confident | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.4 | -39.3 | 173.1 | -75.5 | 169.4 | 0 | 0 | 0 | 111.8 | S1280 L1281 E1282 K1287 I1288 | S1280-L1284 WeakPolarHBondContact O-CB 3.37Å; S1280-L1284 WeakPolarHBondContact O-CD1 3.49Å; S1280-L1284 VanDerWaalsContact O-CG 3.25Å; S1280-L1284 WeakPolarHBondContact O-CG 3.29Å; S1280-L1284 PolarHBondContact O-N 2.7Å; S1280-L1284 VanDerWaalsContact O-N 3.1Å; L1281-L1284 PolarHBondContact O-N 3.25Å; E1282-L1284 VanDerWaalsContact C-N 3.32Å; E1282-L1284 PolarHBondContact O-N 2.9Å; L1284-K1287 PolarHBondContact O-N 2.93Å; L1284-I1288 WeakPolarHBondContact O-CG1 3.35Å; L1284-I1288 PolarHBondContact O-N 3.48Å |
| 1285 | Q | 80.8 | Confident | 77.5 | Confident | 101 Ų | 101 | 96.7 Ų | 96.7 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 175.1 | -175.1 | 66.4 | 36.6 | 0 | 0 | 110.7 | L1281 E1282 K1287 I1288 E1289 | L1281-Q1285 VanDerWaalsContact O-CB 3.29Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.48Å; L1281-Q1285 PolarHBondContact O-N 2.85Å; E1282-Q1285 PolarHBondContact O-N 3.37Å; Q1285-K1287 VanDerWaalsContact C-N 3.33Å; Q1285-K1287 PolarHBondContact O-N 3.5Å; Q1285-I1288 PolarHBondContact O-N 2.71Å; Q1285-I1288 VanDerWaalsContact O-N 3.16Å; Q1285-E1289 WeakPolarHBondContact CG-OE1 3.48Å; Q1285-E1289 PolarHBondContact NE2-OE1 3.43Å; Q1285-E1289 WeakPolarHBondContact O-CG 3.36Å; Q1285-E1289 PolarHBondContact O-N 2.86Å |
| 1286 | I | 82.7 | Confident | 76.8 | Confident | 91 Ų | 91 | 100.4 Ų | 100.4 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.6 | -69.4 | 164.3 | 0 | 0 | 0 | 111.1 | E1282 I1288 E1289 E1290 | E1282-I1286 VanDerWaalsContact O-CG1 3.28Å; E1282-I1286 WeakPolarHBondContact O-CG1 3.42Å; E1282-I1286 PolarHBondContact O-N 2.8Å; I1286-I1288 VanDerWaalsContact C-N 3.34Å; I1286-I1288 PolarHBondContact O-N 3.49Å; I1286-E1289 PolarHBondContact O-N 2.84Å; I1286-E1290 HydrophobicContact CG2-CG 4.34Å; I1286-E1290 WeakPolarHBondContact O-CB 3.44Å; I1286-E1290 WeakPolarHBondContact O-CG 3.35Å; I1286-E1290 PolarHBondContact O-N 2.84Å |
| 1287 | K | 80.4 | Confident | 75.9 | Confident | 107 Ų | 107 | 103 Ų | 103 | 47% | 0.465 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -31.4 | 177.2 | -79.4 | 169 | -176.9 | 144.8 | 0 | 113.6 | E1283 L1284 Q1285 L1291 | E1283-K1287 WeakPolarHBondContact O-CD 3.47Å; E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 3.32Å; L1284-K1287 PolarHBondContact O-N 2.93Å; Q1285-K1287 VanDerWaalsContact C-N 3.33Å; Q1285-K1287 PolarHBondContact O-N 3.5Å; K1287-L1291 WeakPolarHBondContact O-CB 3.4Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.28Å; K1287-L1291 WeakPolarHBondContact O-CG 3.23Å; K1287-L1291 PolarHBondContact O-N 3.27Å |
| 1288 | I | 76.6 | Confident | 75.1 | Confident | 82 Ų | 82 | 103 Ų | 103 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 172.5 | -70.2 | 164.2 | 0 | 0 | 0 | 109.4 | L1284 Q1285 I1286 E1290 L1291 E1292 | L1284-I1288 WeakPolarHBondContact O-CG1 3.35Å; L1284-I1288 PolarHBondContact O-N 3.48Å; Q1285-I1288 PolarHBondContact O-N 2.71Å; Q1285-I1288 VanDerWaalsContact O-N 3.16Å; I1286-I1288 VanDerWaalsContact C-N 3.34Å; I1286-I1288 PolarHBondContact O-N 3.49Å; I1288-E1290 PolarHBondContact O-N 2.88Å; I1288-L1291 PolarHBondContact O-N 3.1Å; I1288-E1292 HydrophobicContact CG2-CG 4.33Å; I1288-E1292 WeakPolarHBondContact O-CB 3.43Å; I1288-E1292 WeakPolarHBondContact O-CG 3.1Å; I1288-E1292 PolarHBondContact O-N 3.02Å |
| 1289 | E | 80.2 | Confident | 73.9 | Confident | 102 Ų | 102 | 105.1 Ų | 105.1 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 177.4 | -70.5 | 170 | -160.4 | 0 | 0 | 112.5 | Q1285 I1286 S1293 | Q1285-E1289 WeakPolarHBondContact CG-OE1 3.48Å; Q1285-E1289 PolarHBondContact NE2-OE1 3.43Å; Q1285-E1289 WeakPolarHBondContact O-CG 3.36Å; Q1285-E1289 PolarHBondContact O-N 2.86Å; I1286-E1289 PolarHBondContact O-N 2.84Å; E1289-S1293 VanDerWaalsContact O-CB 3.29Å; E1289-S1293 WeakPolarHBondContact O-CB 3.34Å; E1289-S1293 PolarHBondContact O-N 3.45Å |
| 1290 | E | 78.5 | Confident | 72.5 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 170.8 | -76.2 | 176.5 | 163.4 | 0 | 0 | 111.9 | I1286 I1288 M1294 | I1286-E1290 HydrophobicContact CG2-CG 4.34Å; I1286-E1290 WeakPolarHBondContact O-CB 3.44Å; I1286-E1290 WeakPolarHBondContact O-CG 3.35Å; I1286-E1290 PolarHBondContact O-N 2.84Å; I1288-E1290 PolarHBondContact O-N 2.88Å; E1290-M1294 WeakPolarHBondContact O-CB 3.38Å; E1290-M1294 PolarHBondContact O-N 3.46Å |
| 1291 | L | 73.1 | Confident | 71.4 | Confident | 118 Ų | 118 | 107 Ų | 107 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.6 | -41.3 | 177.8 | -75.2 | 169 | 0 | 0 | 0 | 112.1 | K1287 I1288 M1294 N1295 | K1287-L1291 WeakPolarHBondContact O-CB 3.4Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.28Å; K1287-L1291 WeakPolarHBondContact O-CG 3.23Å; K1287-L1291 PolarHBondContact O-N 3.27Å; I1288-L1291 PolarHBondContact O-N 3.1Å; L1291-M1294 PolarHBondContact O-N 2.88Å; L1291-N1295 WeakPolarHBondContact O-CB 3.13Å; L1291-N1295 PolarHBondContact O-N 3.31Å |
| 1292 | E | 72.9 | Confident | 70 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 174.8 | -75 | -179.5 | 173.7 | 0 | 0 | 111.1 | I1288 N1295 M1296 | I1288-E1292 HydrophobicContact CG2-CG 4.33Å; I1288-E1292 WeakPolarHBondContact O-CB 3.43Å; I1288-E1292 WeakPolarHBondContact O-CG 3.1Å; I1288-E1292 PolarHBondContact O-N 3.02Å; E1292-N1295 PolarHBondContact O-N 3.27Å; E1292-M1296 WeakPolarHBondContact O-CG 3.26Å; E1292-M1296 PolarHBondContact O-N 3.43Å |
| 1293 | S | 75.9 | Confident | 68.6 | Low | 71 Ų | 71 | 106.2 Ų | 106.2 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175 | -169.4 | 0 | 0 | 0 | 0 | 112.4 | E1289 M1296 E1297 | E1289-S1293 VanDerWaalsContact O-CB 3.29Å; E1289-S1293 WeakPolarHBondContact O-CB 3.34Å; E1289-S1293 PolarHBondContact O-N 3.45Å; S1293-M1296 WeakPolarHBondContact O-CB 3.33Å; S1293-M1296 PolarHBondContact O-N 3.28Å; S1293-E1297 PolarHBondContact O-N 3.35Å |
| 1294 | M | 72.7 | Confident | 67.1 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 177.3 | -167.7 | 176 | -63.2 | 0 | 0 | 111.7 | E1290 L1291 M1296 E1297 I1298 | E1290-M1294 WeakPolarHBondContact O-CB 3.38Å; E1290-M1294 PolarHBondContact O-N 3.46Å; L1291-M1294 PolarHBondContact O-N 2.88Å; M1294-M1296 VanDerWaalsContact C-N 3.34Å; M1294-E1297 PolarHBondContact O-N 2.86Å; M1294-I1298 HydrophobicContact CG-CD1 4.17Å; M1294-I1298 WeakPolarHBondContact O-CD1 3.17Å; M1294-I1298 VanDerWaalsContact O-CG1 3.27Å; M1294-I1298 WeakPolarHBondContact O-CG1 3.19Å; M1294-I1298 PolarHBondContact O-N 3.49Å |
| 1295 | N | 68 | Low | 65.6 | Low | 118 Ų | 118 | 110.1 Ų | 110.1 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.7 | -36.6 | 175.3 | -133.9 | 10.7 | 0 | 0 | 0 | 111.6 | L1291 E1292 N1299 | L1291-N1295 WeakPolarHBondContact O-CB 3.13Å; L1291-N1295 PolarHBondContact O-N 3.31Å; E1292-N1295 PolarHBondContact O-N 3.27Å; N1295-N1299 WeakPolarHBondContact O-CB 3.5Å; N1295-N1299 PolarHBondContact O-N 3.39Å; N1295-N1299 VanDerWaalsContact O-N 3.09Å |
| 1296 | M | 67.3 | Low | 63.6 | Low | 122 Ų | 122 | 112.4 Ų | 112.4 | 60% | 0.601 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.9 | -49.4 | 171.9 | -75.2 | -73.5 | -66.9 | 0 | 0 | 111.9 | E1292 S1293 M1294 I1298 N1299 D1300 | E1292-M1296 WeakPolarHBondContact O-CG 3.26Å; E1292-M1296 PolarHBondContact O-N 3.43Å; S1293-M1296 WeakPolarHBondContact O-CB 3.33Å; S1293-M1296 PolarHBondContact O-N 3.28Å; M1294-M1296 VanDerWaalsContact C-N 3.34Å; M1296-I1298 VanDerWaalsContact C-N 3.32Å; M1296-I1298 PolarHBondContact O-N 3.25Å; M1296-N1299 PolarHBondContact O-N 3.49Å; M1296-D1300 PolarHBondContact O-N 3.37Å |
| 1297 | E | 60.3 | Low | 61.7 | Low | 129 Ų | 129 | 116.2 Ų | 116.2 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62 | -36.8 | 178.2 | -76.2 | -163.3 | 133.9 | 0 | 0 | 112.9 | S1293 M1294 N1301 | S1293-E1297 PolarHBondContact O-N 3.35Å; M1294-E1297 PolarHBondContact O-N 2.86Å; E1297-N1301 WeakPolarHBondContact O-CB 3.24Å; E1297-N1301 PolarHBondContact O-N 3.08Å; E1297-N1301 PolarHBondContact O-ND2 3.29Å |
| 1298 | I | 58.9 | Low | 60.1 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 57% | 0.569 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -43 | 175.8 | -70.4 | 166.2 | 0 | 0 | 0 | 110.9 | M1294 M1296 S1302 | M1294-I1298 HydrophobicContact CG-CD1 4.17Å; M1294-I1298 WeakPolarHBondContact O-CD1 3.17Å; M1294-I1298 VanDerWaalsContact O-CG1 3.27Å; M1294-I1298 WeakPolarHBondContact O-CG1 3.19Å; M1294-I1298 PolarHBondContact O-N 3.49Å; M1296-I1298 VanDerWaalsContact C-N 3.32Å; M1296-I1298 PolarHBondContact O-N 3.25Å; I1298-S1302 PolarHBondContact O-N 2.87Å |
| 1299 | N | 52.9 | Low | 58.5 | Low | 86 Ų | 86 | 121 Ų | 121 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.7 | -45.3 | -178.3 | -162.5 | -9.2 | 0 | 0 | 0 | 112 | N1295 M1296 S1302 K1303 | N1295-N1299 WeakPolarHBondContact O-CB 3.5Å; N1295-N1299 PolarHBondContact O-N 3.39Å; N1295-N1299 VanDerWaalsContact O-N 3.09Å; M1296-N1299 PolarHBondContact O-N 3.49Å; N1299-S1302 PolarHBondContact O-N 3.43Å; N1299-S1302 PolarHBondContact O-OG 3.33Å; N1299-K1303 PolarHBondContact OD1-NZ 2.87Å |
| 1300 | D | 51.9 | Low | 56.6 | Low | 113 Ų | 113 | 125 Ų | 125 | 60% | 0.604 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.1 | -38.7 | -178.5 | -89.4 | -13.1 | 0 | 0 | 0 | 113.3 | M1296 S1302 K1303 | M1296-D1300 PolarHBondContact O-N 3.37Å; D1300-S1302 VanDerWaalsContact C-N 3.27Å; D1300-S1302 PolarHBondContact O-N 3.42Å; D1300-K1303 PolarHBondContact O-N 3.11Å |
| 1301 | N | 53.5 | Low | 55 | Low | 98 Ų | 98 | 126 Ų | 126 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.4 | -27.4 | 178.3 | -79.2 | -65.7 | 0 | 0 | 0 | 112.9 | E1297 K1303 | E1297-N1301 WeakPolarHBondContact O-CB 3.24Å; E1297-N1301 PolarHBondContact O-N 3.08Å; E1297-N1301 PolarHBondContact O-ND2 3.29Å; N1301-K1303 PolarHBondContact O-N 3.28Å |
| 1302 | S | 47.1 | Very low | 53.9 | Low | 61 Ų | 61 | 129 Ų | 129 | 43% | 0.427 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.2 | -28.5 | -179.5 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | I1298 N1299 D1300 | I1298-S1302 PolarHBondContact O-N 2.87Å; N1299-S1302 PolarHBondContact O-N 3.43Å; N1299-S1302 PolarHBondContact O-OG 3.33Å; D1300-S1302 VanDerWaalsContact C-N 3.27Å; D1300-S1302 PolarHBondContact O-N 3.42Å |
| 1303 | K | 50 | Low | 52.9 | Low | 163 Ų | 163 | 127.8 Ų | 127.8 | 71% | 0.709 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 6.5 | -168 | -77.3 | 165.1 | -178.8 | 152.7 | 0 | 115.4 | N1299 D1300 N1301 | N1299-K1303 PolarHBondContact OD1-NZ 2.87Å; D1300-K1303 PolarHBondContact O-N 3.11Å; N1301-K1303 PolarHBondContact O-N 3.28Å |
| 1304 | K | 49.6 | Very low | 51.5 | Low | 180 Ų | 180 | 127.2 Ų | 127.2 | 78% | 0.783 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | -20.6 | -168 | -138.1 | 168.3 | -172.5 | 171.2 | 0 | 119 | ||
| 1305 | N | 44.4 | Very low | 50.3 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -114.3 | 2.7 | -172 | -72.6 | -11.2 | 0 | 0 | 0 | 115.3 | Q1307 | N1305-Q1307 VanDerWaalsContact C-N 3.29Å; N1305-Q1307 PolarHBondContact O-N 3.22Å |
| 1306 | Q | 39.6 | Very low | 49.8 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -3.8 | -174.8 | -83.8 | -169.9 | -16.7 | 0 | 0 | 115.7 | W1310 | Q1306-W1310 VanDerWaalsContact O-CD1 3.28Å; Q1306-W1310 PolarHBondContact O-NE1 3.01Å |
| 1307 | Q | 42.4 | Very low | 49.2 | Very low | 171 Ų | 171 | 125 Ų | 125 | 80% | 0.799 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -37.1 | -177.6 | -157.5 | 72.6 | 49 | 0 | 0 | 113.9 | N1305 | N1305-Q1307 VanDerWaalsContact C-N 3.29Å; N1305-Q1307 PolarHBondContact O-N 3.22Å |
| 1308 | D | 46 | Very low | 49.3 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -1.2 | -161.5 | -64.8 | -19.4 | 0 | 0 | 0 | 114.9 | ||
| 1309 | L | 43 | Very low | 49.8 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 71% | 0.707 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -104.3 | 0.1 | -171.6 | -137.2 | 79.6 | 0 | 0 | 0 | 115.6 | ||
| 1310 | W | 41.3 | Very low | 50.7 | Low | 187 Ų | 187 | 124.5 Ų | 124.5 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -74.8 | -26.3 | -169.6 | -73.8 | 50.4 | 0 | 0 | 0 | 113.8 | Q1306 H1312 C1314 | Q1306-W1310 VanDerWaalsContact O-CD1 3.28Å; Q1306-W1310 PolarHBondContact O-NE1 3.01Å; W1310-H1312 PolarHBondContact O-N 2.81Å; W1310-C1314 PolarHBondContact O-SG 2.95Å |
| 1311 | D | 44.7 | Very low | 51.6 | Low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -81.2 | -5.9 | -168.6 | -73.7 | -7.3 | 0 | 0 | 0 | 115.7 | ||
| 1312 | H | 48.9 | Very low | 52.5 | Low | 183 Ų | 183 | 126.2 Ų | 126.2 | 85% | 0.847 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -130.3 | 8.5 | -163.8 | -87.3 | 18.6 | 0 | 0 | 0 | 116.7 | W1310 | W1310-H1312 PolarHBondContact O-N 2.81Š|
| 1313 | N | 51.8 | Low | 53.8 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 51% | 0.508 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -136.5 | 26.3 | 170.9 | -162.3 | 31.8 | 0 | 0 | 0 | 112.2 | D1315 I1317 | N1313-D1315 PolarHBondContact O-N 3.48Å; N1313-I1317 HydrophobicContact CB-CD1 3.83Å; N1313-I1317 HydrophobicContact CB-CG1 4.29Å; N1313-I1317 WeakPolarHBondContact O-CB 3.18Å; N1313-I1317 WeakPolarHBondContact O-CG1 3.32Å; N1313-I1317 PolarHBondContact O-N 3.27Å; N1313-I1317 VanDerWaalsContact O-N 3.15Å |
| 1314 | C | 46.2 | Very low | 55 | Low | 58 Ų | 58 | 126.2 Ų | 126.2 | 39% | 0.392 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -58.1 | -47.4 | -166.9 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | W1310 S1316 I1317 S1318 | W1310-C1314 PolarHBondContact O-SG 2.95Å; C1314-S1316 PolarHBondContact O-N 2.94Å; C1314-I1317 CarbonylContact O-C 3.57Å; C1314-I1317 PolarHBondContact O-N 3.46Å; C1314-S1318 VanDerWaalsContact O-CB 3.24Å; C1314-S1318 WeakPolarHBondContact O-CB 3.44Å; C1314-S1318 PolarHBondContact O-N 2.8Å; C1314-S1318 PolarHBondContact O-OG 2.79Å |
| 1315 | D | 47.5 | Very low | 56.2 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 78% | 0.775 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.3 | -49 | -170.4 | -58.5 | -11.2 | 0 | 0 | 0 | 113.3 | N1313 S1318 E1319 | N1313-D1315 PolarHBondContact O-N 3.48Å; D1315-S1318 PolarHBondContact O-N 3.45Å; D1315-E1319 PolarHBondContact O-N 3.34Å |
| 1316 | S | 58.1 | Low | 58.1 | Low | 72 Ų | 72 | 121.8 Ų | 121.8 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.5 | -24.9 | 177.9 | -62 | 0 | 0 | 0 | 0 | 113.6 | C1314 I1320 | C1314-S1316 PolarHBondContact O-N 2.94Å; S1316-I1320 WeakPolarHBondContact O-CG1 3.34Å; S1316-I1320 PolarHBondContact O-N 2.92Å |
| 1317 | I | 55.3 | Low | 59.8 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.1 | -35.3 | 170 | -69.4 | -179.8 | 0 | 0 | 0 | 110.3 | N1313 C1314 I1320 H1321 | N1313-I1317 HydrophobicContact CB-CD1 3.83Å; N1313-I1317 HydrophobicContact CB-CG1 4.29Å; N1313-I1317 WeakPolarHBondContact O-CB 3.18Å; N1313-I1317 WeakPolarHBondContact O-CG1 3.32Å; N1313-I1317 PolarHBondContact O-N 3.27Å; N1313-I1317 VanDerWaalsContact O-N 3.15Å; C1314-I1317 CarbonylContact O-C 3.57Å; C1314-I1317 PolarHBondContact O-N 3.46Å; I1317-I1320 PolarHBondContact O-N 3.07Å; I1317-H1321 WeakPolarHBondContact O-CA 3.46Å; I1317-H1321 WeakPolarHBondContact O-CB 3.26Å; I1317-H1321 PolarHBondContact O-N 3.43Å |
| 1318 | S | 61.3 | Low | 61.5 | Low | 65 Ų | 65 | 114.7 Ų | 114.7 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -44.4 | 176.6 | -82.5 | 0 | 0 | 0 | 0 | 111.7 | C1314 D1315 I1320 H1321 E1322 | C1314-S1318 VanDerWaalsContact O-CB 3.24Å; C1314-S1318 WeakPolarHBondContact O-CB 3.44Å; C1314-S1318 PolarHBondContact O-N 2.8Å; C1314-S1318 PolarHBondContact O-OG 2.79Å; D1315-S1318 PolarHBondContact O-N 3.45Å; S1318-I1320 VanDerWaalsContact C-N 3.32Å; S1318-I1320 PolarHBondContact O-N 2.95Å; S1318-H1321 PolarHBondContact O-N 2.85Å; S1318-E1322 WeakPolarHBondContact O-CB 3.49Å; S1318-E1322 WeakPolarHBondContact O-CG 3.45Å; S1318-E1322 PolarHBondContact O-N 3.48Å |
| 1319 | E | 70.5 | Confident | 62.8 | Low | 148 Ų | 148 | 111.1 Ų | 111.1 | 69% | 0.692 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 177.6 | -166.6 | 174.9 | -136.6 | 0 | 0 | 112.1 | D1315 N1323 | D1315-E1319 PolarHBondContact O-N 3.34Å; E1319-N1323 WeakPolarHBondContact O-CB 3.38Å; E1319-N1323 PolarHBondContact O-N 3.34Å |
| 1320 | I | 71.2 | Confident | 64.6 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 173.8 | -67.6 | 172.4 | 0 | 0 | 0 | 111.2 | S1316 I1317 S1318 N1323 Y1324 | S1316-I1320 WeakPolarHBondContact O-CG1 3.34Å; S1316-I1320 PolarHBondContact O-N 2.92Å; I1317-I1320 PolarHBondContact O-N 3.07Å; S1318-I1320 VanDerWaalsContact C-N 3.32Å; S1318-I1320 PolarHBondContact O-N 2.95Å; I1320-N1323 PolarHBondContact O-N 3.4Å; I1320-Y1324 HydrophobicContact CG2-CD2 3.74Å; I1320-Y1324 HydrophobicContact CG2-CE2 3.83Å; I1320-Y1324 WeakPolarHBondContact O-CD2 3.4Å; I1320-Y1324 PolarHBondContact O-N 2.76Å |
| 1321 | H | 70.5 | Confident | 66.4 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 180 | -170.7 | -23.1 | 0 | 0 | 0 | 111 | I1317 S1318 N1323 Y1324 Q1325 | I1317-H1321 WeakPolarHBondContact O-CA 3.46Å; I1317-H1321 WeakPolarHBondContact O-CB 3.26Å; I1317-H1321 PolarHBondContact O-N 3.43Å; S1318-H1321 PolarHBondContact O-N 2.85Å; H1321-N1323 VanDerWaalsContact C-N 3.32Å; H1321-N1323 PolarHBondContact O-N 3.19Å; H1321-Y1324 PolarHBondContact O-N 2.82Å; H1321-Q1325 PolarHBondContact CE1-OE1 2.87Å; H1321-Q1325 WeakPolarHBondContact O-CA 3.34Å; H1321-Q1325 WeakPolarHBondContact O-CB 3.44Å; H1321-Q1325 PolarHBondContact O-N 3.3Å |
| 1322 | E | 72.3 | Confident | 68.1 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 172.5 | -77.5 | -171.7 | 150.9 | 0 | 0 | 111.1 | S1318 Q1325 M1326 | S1318-E1322 WeakPolarHBondContact O-CB 3.49Å; S1318-E1322 WeakPolarHBondContact O-CG 3.45Å; S1318-E1322 PolarHBondContact O-N 3.48Å; E1322-Q1325 PolarHBondContact O-N 3.2Å; E1322-M1326 WeakPolarHBondContact O-CB 3.19Å; E1322-M1326 PolarHBondContact O-N 3.23Å |
| 1323 | N | 76.1 | Confident | 69.5 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 177.9 | -162 | -18.2 | 0 | 0 | 0 | 112.1 | E1319 I1320 H1321 M1326 Q1327 | E1319-N1323 WeakPolarHBondContact O-CB 3.38Å; E1319-N1323 PolarHBondContact O-N 3.34Å; I1320-N1323 PolarHBondContact O-N 3.4Å; H1321-N1323 VanDerWaalsContact C-N 3.32Å; H1321-N1323 PolarHBondContact O-N 3.19Å; N1323-M1326 PolarHBondContact O-N 2.86Å; N1323-Q1327 WeakPolarHBondContact O-CG 3.45Å; N1323-Q1327 PolarHBondContact O-N 2.72Å; N1323-Q1327 PolarHBondContact OD1-NE2 3.4Å; N1323-Q1327 VanDerWaalsContact OD1-NE2 3.08Å |
| 1324 | Y | 75.3 | Confident | 70.8 | Confident | 142 Ų | 142 | 99.3 Ų | 99.3 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | 171.7 | -83.1 | -63.7 | 0 | 0 | 0 | 112.8 | I1320 H1321 M1326 Q1327 I1328 | I1320-Y1324 HydrophobicContact CG2-CD2 3.74Å; I1320-Y1324 HydrophobicContact CG2-CE2 3.83Å; I1320-Y1324 WeakPolarHBondContact O-CD2 3.4Å; I1320-Y1324 PolarHBondContact O-N 2.76Å; H1321-Y1324 PolarHBondContact O-N 2.82Å; Y1324-M1326 VanDerWaalsContact C-N 3.33Å; Y1324-M1326 PolarHBondContact O-N 2.86Å; Y1324-Q1327 PolarHBondContact O-N 2.78Å; Y1324-I1328 WeakPolarHBondContact O-CB 3.42Å; Y1324-I1328 VanDerWaalsContact O-CG1 3.22Å; Y1324-I1328 WeakPolarHBondContact O-CG1 3.29Å; Y1324-I1328 PolarHBondContact O-N 2.92Å |
| 1325 | Q | 74.5 | Confident | 72.3 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.9 | -165.8 | 78.1 | -0.3 | 0 | 0 | 110 | H1321 E1322 I1328 E1329 | H1321-Q1325 PolarHBondContact CE1-OE1 2.87Å; H1321-Q1325 WeakPolarHBondContact O-CA 3.34Å; H1321-Q1325 WeakPolarHBondContact O-CB 3.44Å; H1321-Q1325 PolarHBondContact O-N 3.3Å; E1322-Q1325 PolarHBondContact O-N 3.2Å; Q1325-I1328 CarbonylContact O-C 3.51Å; Q1325-I1328 PolarHBondContact O-N 2.7Å; Q1325-E1329 WeakPolarHBondContact O-CG 3.48Å; Q1325-E1329 PolarHBondContact O-N 3.46Å |
| 1326 | M | 83.1 | Confident | 73.8 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 176.1 | -177.1 | 168 | 55.8 | 0 | 0 | 112.2 | E1322 N1323 Y1324 L1330 | E1322-M1326 WeakPolarHBondContact O-CB 3.19Å; E1322-M1326 PolarHBondContact O-N 3.23Å; N1323-M1326 PolarHBondContact O-N 2.86Å; Y1324-M1326 VanDerWaalsContact C-N 3.33Å; Y1324-M1326 PolarHBondContact O-N 2.86Å; M1326-L1330 WeakPolarHBondContact O-CB 3.28Å; M1326-L1330 PolarHBondContact O-N 3.29Å |
| 1327 | Q | 76.2 | Confident | 74.9 | Confident | 94 Ų | 94 | 98.7 Ų | 98.7 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 170.9 | -73.5 | 174.9 | 50.2 | 0 | 0 | 112.4 | N1323 Y1324 L1330 L1331 | N1323-Q1327 WeakPolarHBondContact O-CG 3.45Å; N1323-Q1327 PolarHBondContact O-N 2.72Å; N1323-Q1327 PolarHBondContact OD1-NE2 3.4Å; N1323-Q1327 VanDerWaalsContact OD1-NE2 3.08Å; Y1324-Q1327 PolarHBondContact O-N 2.78Å; Q1327-L1330 PolarHBondContact O-N 2.95Å; Q1327-L1331 WeakPolarHBondContact O-CB 3.36Å; Q1327-L1331 WeakPolarHBondContact O-CG 3.33Å; Q1327-L1331 PolarHBondContact O-N 2.66Å |
| 1328 | I | 77.5 | Confident | 76 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 174.7 | -72.2 | 167.3 | 0 | 0 | 0 | 110.9 | Y1324 Q1325 L1331 K1332 | Y1324-I1328 WeakPolarHBondContact O-CB 3.42Å; Y1324-I1328 VanDerWaalsContact O-CG1 3.22Å; Y1324-I1328 WeakPolarHBondContact O-CG1 3.29Å; Y1324-I1328 PolarHBondContact O-N 2.92Å; Q1325-I1328 CarbonylContact O-C 3.51Å; Q1325-I1328 PolarHBondContact O-N 2.7Å; I1328-L1331 PolarHBondContact O-N 3.03Å; I1328-K1332 HydrophobicContact CG2-CD 4.05Å; I1328-K1332 HydrophobicContact CG2-CG 4.47Å; I1328-K1332 WeakPolarHBondContact O-CB 3.18Å; I1328-K1332 WeakPolarHBondContact O-CG 3.24Å; I1328-K1332 PolarHBondContact O-N 3.37Å |
| 1329 | E | 74.3 | Confident | 76.7 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -31.8 | 174 | -65.4 | -47.4 | 136.7 | 0 | 0 | 112.3 | Q1325 K1332 T1333 | Q1325-E1329 WeakPolarHBondContact O-CG 3.48Å; Q1325-E1329 PolarHBondContact O-N 3.46Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.34Å; E1329-K1332 IonicContact OE1-NZ 2.62Å; E1329-K1332 PolarHBondContact OE1-NZ 2.92Å; E1329-K1332 VanDerWaalsContact OE2-CD 3.27Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.34Å; E1329-K1332 IonicContact OE2-NZ 2.66Å; E1329-T1333 WeakPolarHBondContact O-CB 3.45Å; E1329-T1333 WeakPolarHBondContact O-CG2 3.24Å; E1329-T1333 PolarHBondContact O-N 3.4Å; E1329-T1333 PolarHBondContact O-OG1 3.39Å |
| 1330 | L | 80 | Confident | 77.1 | Confident | 95 Ų | 95 | 98.1 Ų | 98.1 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -51 | 168.2 | -97.4 | 161.2 | 0 | 0 | 0 | 111.3 | M1326 Q1327 K1332 T1333 E1334 | M1326-L1330 WeakPolarHBondContact O-CB 3.28Å; M1326-L1330 PolarHBondContact O-N 3.29Å; Q1327-L1330 PolarHBondContact O-N 2.95Å; L1330-K1332 VanDerWaalsContact C-N 3.33Å; L1330-K1332 PolarHBondContact O-N 3.47Å; L1330-T1333 WeakPolarHBondContact CA-OG1 3.36Å; L1330-T1333 PolarHBondContact O-N 3.33Å; L1330-T1333 VanDerWaalsContact O-N 3.15Å; L1330-T1333 PolarHBondContact O-OG1 2.87Å; L1330-T1333 VanDerWaalsContact O-OG1 3.06Å; L1330-E1334 WeakPolarHBondContact O-CB 3.44Å; L1330-E1334 WeakPolarHBondContact O-CG 3.18Å; L1330-E1334 PolarHBondContact O-N 2.79Å |
| 1331 | L | 79.3 | Confident | 77.4 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63 | -37 | 177 | -76 | 167.1 | 0 | 0 | 0 | 112.4 | Q1327 I1328 Q1335 | Q1327-L1331 WeakPolarHBondContact O-CB 3.36Å; Q1327-L1331 WeakPolarHBondContact O-CG 3.33Å; Q1327-L1331 PolarHBondContact O-N 2.66Å; I1328-L1331 PolarHBondContact O-N 3.03Å; L1331-Q1335 WeakPolarHBondContact O-CB 3.2Å; L1331-Q1335 PolarHBondContact O-N 2.73Å |
| 1332 | K | 80 | Confident | 77.6 | Confident | 96 Ų | 96 | 97.7 Ų | 97.7 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 172.3 | -76.6 | 167.1 | 177.8 | 178.5 | 0 | 112.3 | I1328 E1329 L1330 A1336 | I1328-K1332 HydrophobicContact CG2-CD 4.05Å; I1328-K1332 HydrophobicContact CG2-CG 4.47Å; I1328-K1332 WeakPolarHBondContact O-CB 3.18Å; I1328-K1332 WeakPolarHBondContact O-CG 3.24Å; I1328-K1332 PolarHBondContact O-N 3.37Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.34Å; E1329-K1332 IonicContact OE1-NZ 2.62Å; E1329-K1332 PolarHBondContact OE1-NZ 2.92Å; E1329-K1332 VanDerWaalsContact OE2-CD 3.27Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.34Å; E1329-K1332 IonicContact OE2-NZ 2.66Å; L1330-K1332 VanDerWaalsContact C-N 3.33Å; L1330-K1332 PolarHBondContact O-N 3.47Å; K1332-A1336 WeakPolarHBondContact O-CB 3.22Å; K1332-A1336 PolarHBondContact O-N 2.79Å |
| 1333 | T | 78.5 | Confident | 77.8 | Confident | 71 Ų | 71 | 95.3 Ų | 95.3 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.3 | -34.1 | 178.5 | 46.1 | 0 | 0 | 0 | 0 | 112 | E1329 L1330 A1336 N1337 | E1329-T1333 WeakPolarHBondContact O-CB 3.45Å; E1329-T1333 WeakPolarHBondContact O-CG2 3.24Å; E1329-T1333 PolarHBondContact O-N 3.4Å; E1329-T1333 PolarHBondContact O-OG1 3.39Å; L1330-T1333 WeakPolarHBondContact CA-OG1 3.36Å; L1330-T1333 PolarHBondContact O-N 3.33Å; L1330-T1333 VanDerWaalsContact O-N 3.15Å; L1330-T1333 PolarHBondContact O-OG1 2.87Å; L1330-T1333 VanDerWaalsContact O-OG1 3.06Å; T1333-A1336 PolarHBondContact O-N 3.02Å; T1333-N1337 VanDerWaalsContact O-CB 3.23Å; T1333-N1337 WeakPolarHBondContact O-CB 3.29Å; T1333-N1337 PolarHBondContact O-N 2.64Å; T1333-N1337 PolarHBondContact O-ND2 3.27Å |
| 1334 | E | 78.5 | Confident | 78 | Confident | 119 Ų | 119 | 96.7 Ų | 96.7 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 167.7 | -73.4 | -176.5 | 165.6 | 0 | 0 | 111.6 | L1330 N1337 C1338 | L1330-E1334 WeakPolarHBondContact O-CB 3.44Å; L1330-E1334 WeakPolarHBondContact O-CG 3.18Å; L1330-E1334 PolarHBondContact O-N 2.79Å; E1334-N1337 PolarHBondContact O-N 3.47Å; E1334-C1338 VanDerWaalsContact O-CB 3.27Å; E1334-C1338 WeakPolarHBondContact O-CB 3.25Å; E1334-C1338 PolarHBondContact O-N 2.85Å |
| 1335 | Q | 78.9 | Confident | 78 | Confident | 128 Ų | 128 | 94.2 Ų | 94.2 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 175.2 | -172.1 | 178.2 | 10 | 0 | 0 | 111.7 | L1331 C1338 I1339 | L1331-Q1335 WeakPolarHBondContact O-CB 3.2Å; L1331-Q1335 PolarHBondContact O-N 2.73Å; Q1335-C1338 PolarHBondContact O-N 3.42Å; Q1335-I1339 HydrophobicContact CG-CD1 4.03Å; Q1335-I1339 WeakPolarHBondContact O-CB 3.42Å; Q1335-I1339 VanDerWaalsContact O-CG1 3.26Å; Q1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; Q1335-I1339 PolarHBondContact O-N 3.43Å |
| 1336 | A | 78.9 | Confident | 78 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 34% | 0.339 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1332 T1333 I1339 Q1340 | K1332-A1336 WeakPolarHBondContact O-CB 3.22Å; K1332-A1336 PolarHBondContact O-N 2.79Å; T1333-A1336 PolarHBondContact O-N 3.02Å; A1336-I1339 PolarHBondContact O-N 3.08Å; A1336-Q1340 WeakPolarHBondContact O-CB 3.46Å; A1336-Q1340 WeakPolarHBondContact O-CG 3.48Å; A1336-Q1340 PolarHBondContact O-N 3.18Å |
| 1337 | N | 80 | Confident | 77.7 | Confident | 92 Ų | 92 | 93 Ų | 93 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.3 | -72.8 | -20.2 | 0 | 0 | 0 | 111 | T1333 E1334 I1339 Q1340 E1341 | T1333-N1337 VanDerWaalsContact O-CB 3.23Å; T1333-N1337 WeakPolarHBondContact O-CB 3.29Å; T1333-N1337 PolarHBondContact O-N 2.64Å; T1333-N1337 PolarHBondContact O-ND2 3.27Å; E1334-N1337 PolarHBondContact O-N 3.47Å; N1337-I1339 VanDerWaalsContact C-N 3.35Å; N1337-I1339 PolarHBondContact O-N 3.16Å; N1337-Q1340 CarbonylContact O-C 3.57Å; N1337-Q1340 PolarHBondContact O-N 3.17Å; N1337-E1341 WeakPolarHBondContact O-CB 3.49Å; N1337-E1341 WeakPolarHBondContact O-CG 3.19Å; N1337-E1341 PolarHBondContact O-N 3.49Å |
| 1338 | C | 78.7 | Confident | 77.8 | Confident | 70 Ų | 70 | 93.5 Ų | 93.5 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | E1334 Q1335 E1341 M1342 | E1334-C1338 VanDerWaalsContact O-CB 3.27Å; E1334-C1338 WeakPolarHBondContact O-CB 3.25Å; E1334-C1338 PolarHBondContact O-N 2.85Å; Q1335-C1338 PolarHBondContact O-N 3.42Å; C1338-E1341 PolarHBondContact O-N 2.99Å; C1338-M1342 WeakPolarHBondContact O-CB 3.47Å; C1338-M1342 WeakPolarHBondContact O-CG 3.12Å; C1338-M1342 PolarHBondContact O-N 2.95Å |
| 1339 | I | 77 | Confident | 77.9 | Confident | 85 Ų | 85 | 95 Ų | 95 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 172.5 | -69.9 | 165.8 | 0 | 0 | 0 | 110.7 | Q1335 A1336 N1337 E1341 M1342 T1343 | Q1335-I1339 HydrophobicContact CG-CD1 4.03Å; Q1335-I1339 WeakPolarHBondContact O-CB 3.42Å; Q1335-I1339 VanDerWaalsContact O-CG1 3.26Å; Q1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; Q1335-I1339 PolarHBondContact O-N 3.43Å; A1336-I1339 PolarHBondContact O-N 3.08Å; N1337-I1339 VanDerWaalsContact C-N 3.35Å; N1337-I1339 PolarHBondContact O-N 3.16Å; I1339-E1341 VanDerWaalsContact C-N 3.34Å; I1339-E1341 PolarHBondContact O-N 2.83Å; I1339-M1342 HydrophobicContact CG1-CE 4.3Å; I1339-M1342 PolarHBondContact O-N 3.17Å; I1339-T1343 WeakPolarHBondContact O-CB 3.45Å; I1339-T1343 PolarHBondContact O-N 3.45Å; I1339-T1343 PolarHBondContact O-OG1 3.33Å; I1339-T1343 VanDerWaalsContact O-OG1 3.07Å |
| 1340 | Q | 78.6 | Confident | 77.7 | Confident | 133 Ų | 133 | 96.4 Ų | 96.4 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 176.3 | -76.6 | -176.7 | 13.7 | 0 | 0 | 112.5 | A1336 N1337 T1343 R1344 | A1336-Q1340 WeakPolarHBondContact O-CB 3.46Å; A1336-Q1340 WeakPolarHBondContact O-CG 3.48Å; A1336-Q1340 PolarHBondContact O-N 3.18Å; N1337-Q1340 CarbonylContact O-C 3.57Å; N1337-Q1340 PolarHBondContact O-N 3.17Å; Q1340-T1343 PolarHBondContact O-N 3.05Å; Q1340-R1344 WeakPolarHBondContact O-CB 3.33Å; Q1340-R1344 PolarHBondContact O-N 3.32Å |
| 1341 | E | 76.8 | Confident | 77.6 | Confident | 106 Ų | 106 | 94.2 Ų | 94.2 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.9 | -70 | -111.4 | 90.1 | 0 | 0 | 111.4 | N1337 C1338 I1339 R1344 E1345 | N1337-E1341 WeakPolarHBondContact O-CB 3.49Å; N1337-E1341 WeakPolarHBondContact O-CG 3.19Å; N1337-E1341 PolarHBondContact O-N 3.49Å; C1338-E1341 PolarHBondContact O-N 2.99Å; I1339-E1341 VanDerWaalsContact C-N 3.34Å; I1339-E1341 PolarHBondContact O-N 2.83Å; E1341-R1344 WeakPolarHBondContact O-CB 3.49Å; E1341-R1344 PolarHBondContact O-N 3.27Å; E1341-R1344 IonicContact OE1-CZ 2.68Å; E1341-R1344 IonicContact OE1-NE 2.65Å; E1341-R1344 PolarHBondContact OE1-NE 3.37Å; E1341-R1344 IonicContact OE1-NH2 3.64Å; E1341-R1344 PolarHBondContact OE1-NH2 2.94Å; E1341-E1345 PolarHBondContact O-N 3.49Å |
| 1342 | M | 74.6 | Confident | 77.5 | Confident | 94 Ų | 94 | 91.8 Ų | 91.8 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.6 | -75 | -172.4 | -70.9 | 0 | 0 | 111.6 | C1338 I1339 R1344 E1345 F1346 | C1338-M1342 WeakPolarHBondContact O-CB 3.47Å; C1338-M1342 WeakPolarHBondContact O-CG 3.12Å; C1338-M1342 PolarHBondContact O-N 2.95Å; I1339-M1342 HydrophobicContact CG1-CE 4.3Å; I1339-M1342 PolarHBondContact O-N 3.17Å; M1342-R1344 VanDerWaalsContact C-N 3.31Å; M1342-R1344 PolarHBondContact O-N 2.93Å; M1342-E1345 PolarHBondContact O-N 2.87Å; M1342-F1346 WeakPolarHBondContact O-CB 3.42Å; M1342-F1346 WeakPolarHBondContact O-CD2 3.46Å; M1342-F1346 PolarHBondContact O-N 2.95Å |
| 1343 | T | 77.1 | Confident | 77.4 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 175.1 | -62 | 0 | 0 | 0 | 0 | 111.6 | I1339 Q1340 F1346 G1347 | I1339-T1343 WeakPolarHBondContact O-CB 3.45Å; I1339-T1343 PolarHBondContact O-N 3.45Å; I1339-T1343 PolarHBondContact O-OG1 3.33Å; I1339-T1343 VanDerWaalsContact O-OG1 3.07Å; Q1340-T1343 PolarHBondContact O-N 3.05Å; T1343-F1346 PolarHBondContact O-N 2.68Å; T1343-G1347 PolarHBondContact O-N 3.4Å |
| 1344 | R | 80.2 | Confident | 77.1 | Confident | 109 Ų | 109 | 94.9 Ų | 94.9 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.8 | -176.8 | -175.8 | 62.2 | 62.3 | -4.9 | 111.3 | Q1340 E1341 M1342 Q1348 | Q1340-R1344 WeakPolarHBondContact O-CB 3.33Å; Q1340-R1344 PolarHBondContact O-N 3.32Å; E1341-R1344 WeakPolarHBondContact O-CB 3.49Å; E1341-R1344 PolarHBondContact O-N 3.27Å; E1341-R1344 IonicContact OE1-CZ 2.68Å; E1341-R1344 IonicContact OE1-NE 2.65Å; E1341-R1344 PolarHBondContact OE1-NE 3.37Å; E1341-R1344 IonicContact OE1-NH2 3.64Å; E1341-R1344 PolarHBondContact OE1-NH2 2.94Å; M1342-R1344 VanDerWaalsContact C-N 3.31Å; M1342-R1344 PolarHBondContact O-N 2.93Å; R1344-Q1348 VanDerWaalsContact NH1-OE1 3.09Å; R1344-Q1348 WeakPolarHBondContact O-CB 3.32Å; R1344-Q1348 VanDerWaalsContact O-CG 3.27Å; R1344-Q1348 WeakPolarHBondContact O-CG 3.34Å; R1344-Q1348 PolarHBondContact O-N 2.92Å |
| 1345 | E | 75.5 | Confident | 77.1 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 174.2 | -82.6 | -153.7 | -174.4 | 0 | 0 | 112.7 | E1341 M1342 Q1348 K1349 | E1341-E1345 PolarHBondContact O-N 3.49Å; M1342-E1345 PolarHBondContact O-N 2.87Å; E1345-Q1348 PolarHBondContact O-N 2.92Å; E1345-K1349 WeakPolarHBondContact O-CB 3.18Å; E1345-K1349 WeakPolarHBondContact O-CD 3.44Å; E1345-K1349 VanDerWaalsContact O-CG 3.23Å; E1345-K1349 WeakPolarHBondContact O-CG 3.27Å; E1345-K1349 PolarHBondContact O-N 2.64Å; E1345-K1349 WeakPolarHBondContact OE2-CE 3.31Å; E1345-K1349 IonicContact OE2-NZ 2.64Å; E1345-K1349 PolarHBondContact OE2-NZ 3.16Å |
| 1346 | F | 75.1 | Confident | 77 | Confident | 133 Ų | 133 | 94.5 Ų | 94.5 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 176 | -81.4 | -64.5 | 0 | 0 | 0 | 111.3 | M1342 T1343 K1349 L1350 | M1342-F1346 WeakPolarHBondContact O-CB 3.42Å; M1342-F1346 WeakPolarHBondContact O-CD2 3.46Å; M1342-F1346 PolarHBondContact O-N 2.95Å; T1343-F1346 PolarHBondContact O-N 2.68Å; F1346-K1349 PolarHBondContact O-N 2.85Å; F1346-L1350 WeakPolarHBondContact O-CB 3.49Å; F1346-L1350 WeakPolarHBondContact O-CG 3.49Å; F1346-L1350 PolarHBondContact O-N 3.33Å |
| 1347 | G | 77 | Confident | 76.8 | Confident | 37 Ų | 37 | 96.9 Ų | 96.9 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1343 S1351 | T1343-G1347 PolarHBondContact O-N 3.4Å; G1347-S1351 WeakPolarHBondContact O-CB 3.4Å; G1347-S1351 PolarHBondContact O-N 2.83Å |
| 1348 | Q | 78.2 | Confident | 76.7 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -36.5 | 174 | -76.1 | 174.4 | -14.3 | 0 | 0 | 112.5 | R1344 E1345 T1352 | R1344-Q1348 VanDerWaalsContact NH1-OE1 3.09Å; R1344-Q1348 WeakPolarHBondContact O-CB 3.32Å; R1344-Q1348 VanDerWaalsContact O-CG 3.27Å; R1344-Q1348 WeakPolarHBondContact O-CG 3.34Å; R1344-Q1348 PolarHBondContact O-N 2.92Å; E1345-Q1348 PolarHBondContact O-N 2.92Å; Q1348-T1352 WeakPolarHBondContact O-CB 3.39Å; Q1348-T1352 PolarHBondContact O-N 3.17Å; Q1348-T1352 PolarHBondContact O-OG1 3.27Å |
| 1349 | K | 79.6 | Confident | 76.7 | Confident | 111 Ų | 111 | 97.1 Ų | 97.1 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.9 | -43.7 | 175.4 | -72.5 | 162.5 | -171.4 | 165.2 | 0 | 111.3 | E1345 F1346 T1352 K1353 | E1345-K1349 WeakPolarHBondContact O-CB 3.18Å; E1345-K1349 WeakPolarHBondContact O-CD 3.44Å; E1345-K1349 VanDerWaalsContact O-CG 3.23Å; E1345-K1349 WeakPolarHBondContact O-CG 3.27Å; E1345-K1349 PolarHBondContact O-N 2.64Å; E1345-K1349 WeakPolarHBondContact OE2-CE 3.31Å; E1345-K1349 IonicContact OE2-NZ 2.64Å; E1345-K1349 PolarHBondContact OE2-NZ 3.16Å; F1346-K1349 PolarHBondContact O-N 2.85Å; K1349-T1352 PolarHBondContact O-N 3.02Å; K1349-K1353 PolarHBondContact O-N 3.05Å |
| 1350 | L | 70 | Confident | 76.4 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.3 | -55.2 | 171.5 | -78.1 | 166.1 | 0 | 0 | 0 | 110.9 | F1346 T1352 K1353 E1354 | F1346-L1350 WeakPolarHBondContact O-CB 3.49Å; F1346-L1350 WeakPolarHBondContact O-CG 3.49Å; F1346-L1350 PolarHBondContact O-N 3.33Å; L1350-T1352 PolarHBondContact O-N 3.3Å; L1350-T1352 VanDerWaalsContact O-N 3.09Å; L1350-K1353 CarbonylContact O-C 3.57Å; L1350-K1353 WeakPolarHBondContact O-CA 3.4Å; L1350-K1353 PolarHBondContact O-N 2.92Å; L1350-E1354 WeakPolarHBondContact O-CG 3.33Å; L1350-E1354 PolarHBondContact O-N 2.71Å |
| 1351 | S | 77.1 | Confident | 76.3 | Confident | 50 Ų | 50 | 97.2 Ų | 97.2 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -22.2 | 178 | -176 | 0 | 0 | 0 | 0 | 113.8 | G1347 E1354 R1355 | G1347-S1351 WeakPolarHBondContact O-CB 3.4Å; G1347-S1351 PolarHBondContact O-N 2.83Å; S1351-E1354 WeakPolarHBondContact CA-OE2 3.24Å; S1351-R1355 WeakPolarHBondContact O-CG 3.29Å; S1351-R1355 PolarHBondContact O-N 2.83Å; S1351-R1355 PolarHBondContact O-NE 3.24Å; S1351-R1355 PolarHBondContact O-NH2 2.77Å |
| 1352 | T | 78.2 | Confident | 76.5 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.3 | -44.2 | 170.3 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | Q1348 K1349 L1350 R1355 E1356 | Q1348-T1352 WeakPolarHBondContact O-CB 3.39Å; Q1348-T1352 PolarHBondContact O-N 3.17Å; Q1348-T1352 PolarHBondContact O-OG1 3.27Å; K1349-T1352 PolarHBondContact O-N 3.02Å; L1350-T1352 PolarHBondContact O-N 3.3Å; L1350-T1352 VanDerWaalsContact O-N 3.09Å; T1352-R1355 PolarHBondContact O-N 3.26Å; T1352-R1355 PolarHBondContact OG1-NH2 3.49Å; T1352-E1356 WeakPolarHBondContact O-CG 3.28Å; T1352-E1356 PolarHBondContact O-N 3.44Å |
| 1353 | K | 76.3 | Confident | 76.9 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 174.7 | -85.8 | -72 | 171 | -161.2 | 0 | 113.8 | K1349 L1350 E1356 V1357 | K1349-K1353 PolarHBondContact O-N 3.05Å; L1350-K1353 CarbonylContact O-C 3.57Å; L1350-K1353 WeakPolarHBondContact O-CA 3.4Å; L1350-K1353 PolarHBondContact O-N 2.92Å; K1353-E1356 WeakPolarHBondContact CD-OE2 3.33Å; K1353-E1356 VanDerWaalsContact CE-OE2 3.26Å; K1353-E1356 WeakPolarHBondContact CE-OE2 3.29Å; K1353-E1356 IonicContact NZ-OE2 2.66Å; K1353-E1356 PolarHBondContact NZ-OE2 3.5Å; K1353-E1356 PolarHBondContact O-N 2.9Å; K1353-V1357 WeakPolarHBondContact O-CB 3.04Å; K1353-V1357 VanDerWaalsContact O-CG2 3.32Å; K1353-V1357 WeakPolarHBondContact O-CG2 3.07Å; K1353-V1357 PolarHBondContact O-N 2.92Å |
| 1354 | E | 71.9 | Confident | 76.7 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 170.2 | -72.3 | 166.4 | 177.5 | 0 | 0 | 110.6 | L1350 S1351 E1356 V1357 I1358 | L1350-E1354 WeakPolarHBondContact O-CG 3.33Å; L1350-E1354 PolarHBondContact O-N 2.71Å; S1351-E1354 WeakPolarHBondContact CA-OE2 3.24Å; E1354-E1356 PolarHBondContact O-N 3.27Å; E1354-V1357 PolarHBondContact O-N 2.98Å; E1354-I1358 WeakPolarHBondContact O-CB 3.36Å; E1354-I1358 WeakPolarHBondContact O-CD1 3.44Å; E1354-I1358 WeakPolarHBondContact O-CG1 3.48Å; E1354-I1358 PolarHBondContact O-N 3.28Å |
| 1355 | R | 80.2 | Confident | 76.4 | Confident | 147 Ų | 147 | 97.4 Ų | 97.4 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.6 | -34.8 | 176.2 | -77.7 | 178.1 | -70.8 | 141.5 | 5.4 | 113 | S1351 T1352 A1359 | S1351-R1355 WeakPolarHBondContact O-CG 3.29Å; S1351-R1355 PolarHBondContact O-N 2.83Å; S1351-R1355 PolarHBondContact O-NE 3.24Å; S1351-R1355 PolarHBondContact O-NH2 2.77Å; T1352-R1355 PolarHBondContact O-N 3.26Å; T1352-R1355 PolarHBondContact OG1-NH2 3.49Å; R1355-A1359 VanDerWaalsContact O-CB 3.23Å; R1355-A1359 WeakPolarHBondContact O-CB 3.23Å; R1355-A1359 PolarHBondContact O-N 3.38Å |
| 1356 | E | 76.4 | Confident | 76.5 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 43% | 0.425 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 171.9 | -73.4 | 173.2 | -154.2 | 0 | 0 | 111.9 | T1352 K1353 E1354 A1359 Q1360 | T1352-E1356 WeakPolarHBondContact O-CG 3.28Å; T1352-E1356 PolarHBondContact O-N 3.44Å; K1353-E1356 WeakPolarHBondContact CD-OE2 3.33Å; K1353-E1356 VanDerWaalsContact CE-OE2 3.26Å; K1353-E1356 WeakPolarHBondContact CE-OE2 3.29Å; K1353-E1356 IonicContact NZ-OE2 2.66Å; K1353-E1356 PolarHBondContact NZ-OE2 3.5Å; K1353-E1356 PolarHBondContact O-N 2.9Å; E1354-E1356 PolarHBondContact O-N 3.27Å; E1356-A1359 PolarHBondContact O-N 3.49Å; E1356-Q1360 WeakPolarHBondContact O-CB 3.48Å; E1356-Q1360 PolarHBondContact O-N 3.18Å |
| 1357 | V | 75 | Confident | 76.6 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | K1353 E1354 A1359 Q1360 Q1361 | K1353-V1357 WeakPolarHBondContact O-CB 3.04Å; K1353-V1357 VanDerWaalsContact O-CG2 3.32Å; K1353-V1357 WeakPolarHBondContact O-CG2 3.07Å; K1353-V1357 PolarHBondContact O-N 2.92Å; E1354-V1357 PolarHBondContact O-N 2.98Å; V1357-A1359 VanDerWaalsContact C-N 3.32Å; V1357-A1359 PolarHBondContact O-N 2.74Å; V1357-Q1360 PolarHBondContact O-N 3.45Å; V1357-Q1361 VanDerWaalsContact O-CB 3.31Å; V1357-Q1361 WeakPolarHBondContact O-CB 3.48Å; V1357-Q1361 PolarHBondContact O-N 2.78Å |
| 1358 | I | 77.2 | Confident | 76.6 | Confident | 117 Ų | 117 | 96.7 Ų | 96.7 | 60% | 0.6 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | 174.6 | -69.1 | 163.7 | 0 | 0 | 0 | 110.9 | E1354 K1362 | E1354-I1358 WeakPolarHBondContact O-CB 3.36Å; E1354-I1358 WeakPolarHBondContact O-CD1 3.44Å; E1354-I1358 WeakPolarHBondContact O-CG1 3.48Å; E1354-I1358 PolarHBondContact O-N 3.28Å; I1358-K1362 VanDerWaalsContact O-CB 3.29Å; I1358-K1362 WeakPolarHBondContact O-CB 3.47Å; I1358-K1362 PolarHBondContact O-N 2.94Å |
| 1359 | A | 78 | Confident | 76.6 | Confident | 49 Ų | 49 | 95.7 Ų | 95.7 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1355 E1356 V1357 K1362 I1363 | R1355-A1359 VanDerWaalsContact O-CB 3.23Å; R1355-A1359 WeakPolarHBondContact O-CB 3.23Å; R1355-A1359 PolarHBondContact O-N 3.38Å; E1356-A1359 PolarHBondContact O-N 3.49Å; V1357-A1359 VanDerWaalsContact C-N 3.32Å; V1357-A1359 PolarHBondContact O-N 2.74Å; A1359-K1362 PolarHBondContact O-N 3.01Å; A1359-I1363 WeakPolarHBondContact O-CG1 3.37Å; A1359-I1363 PolarHBondContact O-N 3.13Å |
| 1360 | Q | 71.1 | Confident | 76.6 | Confident | 128 Ų | 128 | 94.1 Ų | 94.1 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66 | -45.6 | 177.2 | -164.4 | 69.9 | 22.9 | 0 | 0 | 111.3 | E1356 V1357 K1362 I1363 E1364 | E1356-Q1360 WeakPolarHBondContact O-CB 3.48Å; E1356-Q1360 PolarHBondContact O-N 3.18Å; V1357-Q1360 PolarHBondContact O-N 3.45Å; Q1360-K1362 VanDerWaalsContact C-N 3.3Å; Q1360-K1362 PolarHBondContact O-N 3.25Å; Q1360-I1363 PolarHBondContact O-N 3.01Å; Q1360-E1364 PolarHBondContact O-N 3.21Å |
| 1361 | Q | 77.7 | Confident | 77 | Confident | 92 Ų | 92 | 95 Ų | 95 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.1 | -171.2 | 65.9 | 65.6 | 0 | 0 | 111.2 | V1357 E1364 N1365 | V1357-Q1361 VanDerWaalsContact O-CB 3.31Å; V1357-Q1361 WeakPolarHBondContact O-CB 3.48Å; V1357-Q1361 PolarHBondContact O-N 2.78Å; Q1361-E1364 PolarHBondContact O-N 3.18Å; Q1361-N1365 PolarHBondContact NE2-OD1 3.4Å; Q1361-N1365 VanDerWaalsContact O-CB 3.3Å; Q1361-N1365 WeakPolarHBondContact O-CB 3.4Å; Q1361-N1365 PolarHBondContact O-N 3.41Å; Q1361-N1365 PolarHBondContact O-OD1 3.07Å; Q1361-N1365 VanDerWaalsContact O-OD1 3.1Å |
| 1362 | K | 80.6 | Confident | 76.8 | Confident | 130 Ų | 130 | 96.7 Ų | 96.7 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -44.2 | 173.1 | -176 | 175 | 178.3 | -177.4 | 0 | 111.5 | I1358 A1359 Q1360 E1364 N1365 D1366 | I1358-K1362 VanDerWaalsContact O-CB 3.29Å; I1358-K1362 WeakPolarHBondContact O-CB 3.47Å; I1358-K1362 PolarHBondContact O-N 2.94Å; A1359-K1362 PolarHBondContact O-N 3.01Å; Q1360-K1362 VanDerWaalsContact C-N 3.3Å; Q1360-K1362 PolarHBondContact O-N 3.25Å; K1362-E1364 VanDerWaalsContact C-N 3.3Å; K1362-E1364 PolarHBondContact O-N 2.86Å; K1362-N1365 PolarHBondContact O-N 2.87Å; K1362-D1366 WeakPolarHBondContact CE-OD2 3.43Å; K1362-D1366 WeakPolarHBondContact O-CB 3.1Å; K1362-D1366 VanDerWaalsContact O-CG 3.23Å; K1362-D1366 PolarHBondContact O-N 3.06Å |
| 1363 | I | 82.4 | Confident | 76.9 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 43% | 0.431 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 176 | -69.7 | 163.1 | 0 | 0 | 0 | 111 | A1359 Q1360 Q1367 | A1359-I1363 WeakPolarHBondContact O-CG1 3.37Å; A1359-I1363 PolarHBondContact O-N 3.13Å; Q1360-I1363 PolarHBondContact O-N 3.01Å; I1363-Q1367 WeakPolarHBondContact O-CB 3.38Å; I1363-Q1367 VanDerWaalsContact O-CG 3.27Å; I1363-Q1367 WeakPolarHBondContact O-CG 3.29Å; I1363-Q1367 PolarHBondContact O-N 3.27Å |
| 1364 | E | 73.8 | Confident | 76.8 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 175.3 | -173 | 159.8 | -154.1 | 0 | 0 | 111.9 | Q1360 Q1361 K1362 Q1367 T1368 | Q1360-E1364 PolarHBondContact O-N 3.21Å; Q1361-E1364 PolarHBondContact O-N 3.18Å; K1362-E1364 VanDerWaalsContact C-N 3.3Å; K1362-E1364 PolarHBondContact O-N 2.86Å; E1364-Q1367 CarbonylContact O-C 3.58Å; E1364-Q1367 WeakPolarHBondContact O-CB 3.44Å; E1364-Q1367 PolarHBondContact O-N 2.92Å; E1364-Q1367 VanDerWaalsContact O-N 3.16Å; E1364-T1368 PolarHBondContact O-N 2.87Å; E1364-T1368 PolarHBondContact O-OG1 3.26Å |
| 1365 | N | 72.6 | Confident | 76.9 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.6 | -70.8 | 10.9 | 0 | 0 | 0 | 112.3 | Q1361 K1362 Q1367 T1368 L1369 | Q1361-N1365 PolarHBondContact NE2-OD1 3.4Å; Q1361-N1365 VanDerWaalsContact O-CB 3.3Å; Q1361-N1365 WeakPolarHBondContact O-CB 3.4Å; Q1361-N1365 PolarHBondContact O-N 3.41Å; Q1361-N1365 PolarHBondContact O-OD1 3.07Å; Q1361-N1365 VanDerWaalsContact O-OD1 3.1Å; K1362-N1365 PolarHBondContact O-N 2.87Å; N1365-Q1367 VanDerWaalsContact C-N 3.28Å; N1365-Q1367 PolarHBondContact O-N 3.42Å; N1365-T1368 WeakPolarHBondContact CA-OG1 3.48Å; N1365-T1368 PolarHBondContact O-N 3.33Å; N1365-T1368 PolarHBondContact O-OG1 2.82Å; N1365-T1368 VanDerWaalsContact O-OG1 3.05Å; N1365-L1369 WeakPolarHBondContact O-CB 3.35Å; N1365-L1369 PolarHBondContact O-N 2.76Å |
| 1366 | D | 78.7 | Confident | 76.6 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -35 | 174.5 | -71.3 | -24.9 | 0 | 0 | 0 | 110.1 | K1362 T1370 | K1362-D1366 WeakPolarHBondContact CE-OD2 3.43Å; K1362-D1366 WeakPolarHBondContact O-CB 3.1Å; K1362-D1366 VanDerWaalsContact O-CG 3.23Å; K1362-D1366 PolarHBondContact O-N 3.06Å; D1366-T1370 WeakPolarHBondContact O-CB 3.39Å; D1366-T1370 PolarHBondContact O-N 3.3Å; D1366-T1370 PolarHBondContact O-OG1 2.87Å |
| 1367 | Q | 77.1 | Confident | 76.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 173.1 | -75.7 | 178.5 | 35.1 | 0 | 0 | 113.4 | I1363 E1364 N1365 T1370 K1371 | I1363-Q1367 WeakPolarHBondContact O-CB 3.38Å; I1363-Q1367 VanDerWaalsContact O-CG 3.27Å; I1363-Q1367 WeakPolarHBondContact O-CG 3.29Å; I1363-Q1367 PolarHBondContact O-N 3.27Å; E1364-Q1367 CarbonylContact O-C 3.58Å; E1364-Q1367 WeakPolarHBondContact O-CB 3.44Å; E1364-Q1367 PolarHBondContact O-N 2.92Å; E1364-Q1367 VanDerWaalsContact O-N 3.16Å; N1365-Q1367 VanDerWaalsContact C-N 3.28Å; N1365-Q1367 PolarHBondContact O-N 3.42Å; Q1367-T1370 PolarHBondContact O-N 3.29Å; Q1367-K1371 WeakPolarHBondContact O-CG 3.27Å; Q1367-K1371 PolarHBondContact O-N 3.21Å |
| 1368 | T | 76.2 | Confident | 76.9 | Confident | 64 Ų | 64 | 96.3 Ų | 96.3 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | E1364 N1365 T1370 K1371 L1372 | E1364-T1368 PolarHBondContact O-N 2.87Å; E1364-T1368 PolarHBondContact O-OG1 3.26Å; N1365-T1368 WeakPolarHBondContact CA-OG1 3.48Å; N1365-T1368 PolarHBondContact O-N 3.33Å; N1365-T1368 PolarHBondContact O-OG1 2.82Å; N1365-T1368 VanDerWaalsContact O-OG1 3.05Å; T1368-T1370 VanDerWaalsContact C-N 3.32Å; T1368-T1370 PolarHBondContact O-N 3.38Å; T1368-K1371 PolarHBondContact O-N 3.27Å; T1368-L1372 WeakPolarHBondContact O-CB 3.42Å; T1368-L1372 PolarHBondContact O-N 2.86Å |
| 1369 | L | 79.1 | Confident | 76.9 | Confident | 85 Ų | 85 | 95.1 Ų | 95.1 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 172.4 | -177.1 | 62.6 | 0 | 0 | 0 | 111.6 | N1365 L1372 K1373 | N1365-L1369 WeakPolarHBondContact O-CB 3.35Å; N1365-L1369 PolarHBondContact O-N 2.76Å; L1369-L1372 PolarHBondContact O-N 3.29Å; L1369-K1373 WeakPolarHBondContact O-CG 3.26Å; L1369-K1373 PolarHBondContact O-N 3.11Å |
| 1370 | T | 78.7 | Confident | 77 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 173.4 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | D1366 Q1367 T1368 K1373 Q1374 | D1366-T1370 WeakPolarHBondContact O-CB 3.39Å; D1366-T1370 PolarHBondContact O-N 3.3Å; D1366-T1370 PolarHBondContact O-OG1 2.87Å; Q1367-T1370 PolarHBondContact O-N 3.29Å; T1368-T1370 VanDerWaalsContact C-N 3.32Å; T1368-T1370 PolarHBondContact O-N 3.38Å; T1370-K1373 PolarHBondContact O-N 2.88Å; T1370-Q1374 WeakPolarHBondContact O-CG 3.19Å; T1370-Q1374 PolarHBondContact O-N 3.34Å |
| 1371 | K | 80 | Confident | 77.4 | Confident | 124 Ų | 124 | 95.5 Ų | 95.5 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 174.6 | -70.7 | 167.1 | -175.5 | 168.8 | 0 | 112.3 | Q1367 T1368 Q1374 M1375 | Q1367-K1371 WeakPolarHBondContact O-CG 3.27Å; Q1367-K1371 PolarHBondContact O-N 3.21Å; T1368-K1371 PolarHBondContact O-N 3.27Å; K1371-Q1374 PolarHBondContact O-N 3.4Å; K1371-M1375 WeakPolarHBondContact O-CB 3.35Å; K1371-M1375 PolarHBondContact O-N 3.02Å |
| 1372 | L | 72.4 | Confident | 77.4 | Confident | 86 Ų | 86 | 96 Ų | 96 | 45% | 0.45 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -50.6 | 172.7 | -93.1 | 162.7 | 0 | 0 | 0 | 110.5 | T1368 L1369 Q1374 M1375 E1376 | T1368-L1372 WeakPolarHBondContact O-CB 3.42Å; T1368-L1372 PolarHBondContact O-N 2.86Å; L1369-L1372 PolarHBondContact O-N 3.29Å; L1372-Q1374 VanDerWaalsContact C-N 3.28Å; L1372-Q1374 PolarHBondContact O-N 3.48Å; L1372-M1375 CarbonylContact O-C 3.57Å; L1372-M1375 WeakPolarHBondContact O-CA 3.39Å; L1372-M1375 WeakPolarHBondContact O-CB 3.3Å; L1372-M1375 PolarHBondContact O-N 3.5Å; L1372-E1376 WeakPolarHBondContact O-CG 3.25Å; L1372-E1376 PolarHBondContact O-N 2.69Å |
| 1373 | K | 78.7 | Confident | 77.2 | Confident | 124 Ų | 124 | 94.6 Ų | 94.6 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -34.5 | 176.5 | -73.6 | -173.8 | 175.9 | -165.7 | 0 | 113.8 | L1369 T1370 E1376 Q1377 | L1369-K1373 WeakPolarHBondContact O-CG 3.26Å; L1369-K1373 PolarHBondContact O-N 3.11Å; T1370-K1373 PolarHBondContact O-N 2.88Å; K1373-E1376 WeakPolarHBondContact CA-OE2 3.43Å; K1373-Q1377 VanDerWaalsContact O-CB 3.26Å; K1373-Q1377 WeakPolarHBondContact O-CB 3.31Å; K1373-Q1377 PolarHBondContact O-N 2.88Å |
| 1374 | Q | 75 | Confident | 77.1 | Confident | 124 Ų | 124 | 93.1 Ų | 93.1 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.9 | -35.2 | 171.6 | -74 | 173.2 | -10.8 | 0 | 0 | 112.5 | T1370 K1371 L1372 S1378 | T1370-Q1374 WeakPolarHBondContact O-CG 3.19Å; T1370-Q1374 PolarHBondContact O-N 3.34Å; K1371-Q1374 PolarHBondContact O-N 3.4Å; L1372-Q1374 VanDerWaalsContact C-N 3.28Å; L1372-Q1374 PolarHBondContact O-N 3.48Å; Q1374-S1378 WeakPolarHBondContact O-CB 3.29Å; Q1374-S1378 PolarHBondContact O-N 3.14Å |
| 1375 | M | 74.1 | Confident | 77.4 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 51% | 0.507 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.9 | -44.1 | 175.7 | -161.3 | -173.2 | -50.8 | 0 | 0 | 111.7 | K1371 L1372 S1378 H1379 | K1371-M1375 WeakPolarHBondContact O-CB 3.35Å; K1371-M1375 PolarHBondContact O-N 3.02Å; L1372-M1375 CarbonylContact O-C 3.57Å; L1372-M1375 WeakPolarHBondContact O-CA 3.39Å; L1372-M1375 WeakPolarHBondContact O-CB 3.3Å; L1372-M1375 PolarHBondContact O-N 3.5Å; M1375-S1378 CarbonylContact O-C 3.57Å; M1375-S1378 PolarHBondContact O-N 3.43Å; M1375-H1379 WeakPolarHBondContact O-CB 3.48Å; M1375-H1379 VanDerWaalsContact O-CG 3.23Å; M1375-H1379 PolarHBondContact O-N 2.92Å |
| 1376 | E | 74 | Confident | 77.7 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 171.6 | -71 | 170.4 | 161.6 | 0 | 0 | 110.6 | L1372 K1373 S1378 H1379 S1380 | L1372-E1376 WeakPolarHBondContact O-CG 3.25Å; L1372-E1376 PolarHBondContact O-N 2.69Å; K1373-E1376 WeakPolarHBondContact CA-OE2 3.43Å; E1376-S1378 PolarHBondContact O-N 3.1Å; E1376-H1379 CarbonylContact O-C 3.56Å; E1376-H1379 WeakPolarHBondContact O-CA 3.49Å; E1376-H1379 PolarHBondContact O-N 3.36Å; E1376-S1380 PolarHBondContact O-N 3.31Å; E1376-S1380 PolarHBondContact O-OG 2.82Å |
| 1377 | Q | 77.4 | Confident | 77.8 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 175.7 | -174.2 | -179.9 | -24.9 | 0 | 0 | 111.4 | K1373 H1379 S1380 E1381 | K1373-Q1377 VanDerWaalsContact O-CB 3.26Å; K1373-Q1377 WeakPolarHBondContact O-CB 3.31Å; K1373-Q1377 PolarHBondContact O-N 2.88Å; Q1377-H1379 PolarHBondContact O-N 2.9Å; Q1377-S1380 PolarHBondContact O-N 2.86Å; Q1377-E1381 WeakPolarHBondContact CG-OE1 3.26Å; Q1377-E1381 PolarHBondContact NE2-OE1 3.44Å; Q1377-E1381 WeakPolarHBondContact O-CB 3.36Å; Q1377-E1381 WeakPolarHBondContact O-CG 3.47Å; Q1377-E1381 PolarHBondContact O-N 3.32Å |
| 1378 | S | 79.7 | Confident | 78 | Confident | 41 Ų | 41 | 100.5 Ų | 100.5 | 29% | 0.287 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -27.7 | 174.6 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | Q1374 M1375 E1376 K1382 | Q1374-S1378 WeakPolarHBondContact O-CB 3.29Å; Q1374-S1378 PolarHBondContact O-N 3.14Å; M1375-S1378 CarbonylContact O-C 3.57Å; M1375-S1378 PolarHBondContact O-N 3.43Å; E1376-S1378 PolarHBondContact O-N 3.1Å; S1378-K1382 VanDerWaalsContact O-CD 3.26Å; S1378-K1382 WeakPolarHBondContact O-CD 3.18Å; S1378-K1382 WeakPolarHBondContact O-CG 3.32Å; S1378-K1382 PolarHBondContact O-N 3.11Å; S1378-K1382 PolarHBondContact OG-NZ 2.92Å |
| 1379 | H | 78.1 | Confident | 78.3 | Confident | 92 Ų | 92 | 99.7 Ų | 99.7 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78.8 | -40 | 174.2 | -69.5 | 172.5 | 0 | 0 | 0 | 111.8 | M1375 E1376 Q1377 K1382 L1383 | M1375-H1379 WeakPolarHBondContact O-CB 3.48Å; M1375-H1379 VanDerWaalsContact O-CG 3.23Å; M1375-H1379 PolarHBondContact O-N 2.92Å; E1376-H1379 CarbonylContact O-C 3.56Å; E1376-H1379 WeakPolarHBondContact O-CA 3.49Å; E1376-H1379 PolarHBondContact O-N 3.36Å; Q1377-H1379 PolarHBondContact O-N 2.9Å; H1379-K1382 CarbonylContact O-C 3.58Å; H1379-K1382 PolarHBondContact O-N 2.92Å; H1379-L1383 WeakPolarHBondContact O-CB 3.18Å; H1379-L1383 VanDerWaalsContact O-CG 3.3Å; H1379-L1383 WeakPolarHBondContact O-CG 3.04Å; H1379-L1383 PolarHBondContact O-N 3.48Å |
| 1380 | S | 79.2 | Confident | 78.2 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 171.6 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | E1376 Q1377 L1383 A1384 | E1376-S1380 PolarHBondContact O-N 3.31Å; E1376-S1380 PolarHBondContact O-OG 2.82Å; Q1377-S1380 PolarHBondContact O-N 2.86Å; S1380-L1383 PolarHBondContact O-N 2.97Å; S1380-A1384 WeakPolarHBondContact O-CB 3.42Å; S1380-A1384 PolarHBondContact O-N 2.8Å |
| 1381 | E | 79.8 | Confident | 78.3 | Confident | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 173.4 | -74 | 169.1 | -169.4 | 0 | 0 | 111.8 | Q1377 Y1385 | Q1377-E1381 WeakPolarHBondContact CG-OE1 3.26Å; Q1377-E1381 PolarHBondContact NE2-OE1 3.44Å; Q1377-E1381 WeakPolarHBondContact O-CB 3.36Å; Q1377-E1381 WeakPolarHBondContact O-CG 3.47Å; Q1377-E1381 PolarHBondContact O-N 3.32Å; E1381-Y1385 WeakPolarHBondContact O-CB 3.44Å; E1381-Y1385 PolarHBondContact O-N 2.9Å; E1381-Y1385 VanDerWaalsContact O-N 3.13Å |
| 1382 | K | 78.7 | Confident | 78.3 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 173.3 | -71.5 | 162.6 | -168.9 | 152.6 | 0 | 112.5 | S1378 H1379 Y1385 F1386 | S1378-K1382 VanDerWaalsContact O-CD 3.26Å; S1378-K1382 WeakPolarHBondContact O-CD 3.18Å; S1378-K1382 WeakPolarHBondContact O-CG 3.32Å; S1378-K1382 PolarHBondContact O-N 3.11Å; S1378-K1382 PolarHBondContact OG-NZ 2.92Å; H1379-K1382 CarbonylContact O-C 3.58Å; H1379-K1382 PolarHBondContact O-N 2.92Å; K1382-Y1385 PolarHBondContact O-N 3.29Å; K1382-F1386 HydrophobicContact CB-CE2 4.34Å; K1382-F1386 WeakPolarHBondContact O-CD2 3.31Å; K1382-F1386 WeakPolarHBondContact O-CG 3.35Å; K1382-F1386 PolarHBondContact O-N 2.77Å |
| 1383 | L | 75.5 | Confident | 78.7 | Confident | 102 Ų | 102 | 98.8 Ų | 98.8 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -46 | 177.5 | -75.8 | 169.2 | 0 | 0 | 0 | 110.7 | H1379 S1380 Y1385 F1386 E1387 | H1379-L1383 WeakPolarHBondContact O-CB 3.18Å; H1379-L1383 VanDerWaalsContact O-CG 3.3Å; H1379-L1383 WeakPolarHBondContact O-CG 3.04Å; H1379-L1383 PolarHBondContact O-N 3.48Å; S1380-L1383 PolarHBondContact O-N 2.97Å; L1383-Y1385 VanDerWaalsContact C-N 3.29Å; L1383-Y1385 PolarHBondContact O-N 3.28Å; L1383-F1386 CarbonylContact O-C 3.58Å; L1383-F1386 WeakPolarHBondContact O-CA 3.39Å; L1383-F1386 PolarHBondContact O-N 2.72Å; L1383-E1387 WeakPolarHBondContact O-CG 3.45Å; L1383-E1387 PolarHBondContact O-N 3.5Å |
| 1384 | A | 79.3 | Confident | 78.7 | Confident | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1380 E1387 E1388 | S1380-A1384 WeakPolarHBondContact O-CB 3.42Å; S1380-A1384 PolarHBondContact O-N 2.8Å; A1384-E1387 PolarHBondContact O-N 2.79Å; A1384-E1388 WeakPolarHBondContact O-CB 3.31Å; A1384-E1388 PolarHBondContact O-N 3.25Å |
| 1385 | Y | 81.5 | Confident | 79.1 | Confident | 145 Ų | 145 | 98.7 Ų | 98.7 | 57% | 0.569 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 172.5 | 176.4 | -104 | 0 | 0 | 0 | 112.7 | E1381 K1382 L1383 T1389 | E1381-Y1385 WeakPolarHBondContact O-CB 3.44Å; E1381-Y1385 PolarHBondContact O-N 2.9Å; E1381-Y1385 VanDerWaalsContact O-N 3.13Å; K1382-Y1385 PolarHBondContact O-N 3.29Å; L1383-Y1385 VanDerWaalsContact C-N 3.29Å; L1383-Y1385 PolarHBondContact O-N 3.28Å; Y1385-T1389 VanDerWaalsContact O-CB 3.31Å; Y1385-T1389 WeakPolarHBondContact O-CB 3.41Å; Y1385-T1389 PolarHBondContact O-N 3.39Å; Y1385-T1389 PolarHBondContact O-OG1 2.82Å |
| 1386 | F | 78.9 | Confident | 79.5 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 174 | -67.9 | -46.9 | 0 | 0 | 0 | 112.6 | K1382 L1383 T1389 I1390 | K1382-F1386 HydrophobicContact CB-CE2 4.34Å; K1382-F1386 WeakPolarHBondContact O-CD2 3.31Å; K1382-F1386 WeakPolarHBondContact O-CG 3.35Å; K1382-F1386 PolarHBondContact O-N 2.77Å; L1383-F1386 CarbonylContact O-C 3.58Å; L1383-F1386 WeakPolarHBondContact O-CA 3.39Å; L1383-F1386 PolarHBondContact O-N 2.72Å; F1386-T1389 PolarHBondContact O-N 2.81Å; F1386-I1390 WeakPolarHBondContact O-CB 3.24Å; F1386-I1390 WeakPolarHBondContact O-CD1 3.33Å; F1386-I1390 WeakPolarHBondContact O-CG1 3.32Å; F1386-I1390 PolarHBondContact O-N 2.88Å |
| 1387 | E | 79.7 | Confident | 79.6 | Confident | 127 Ų | 127 | 97.8 Ų | 97.8 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 174.8 | -73.7 | -179.2 | 161.9 | 0 | 0 | 112.3 | L1383 A1384 I1390 S1391 | L1383-E1387 WeakPolarHBondContact O-CG 3.45Å; L1383-E1387 PolarHBondContact O-N 3.5Å; A1384-E1387 PolarHBondContact O-N 2.79Å; E1387-I1390 PolarHBondContact O-N 3.47Å; E1387-S1391 VanDerWaalsContact O-CB 3.27Å; E1387-S1391 WeakPolarHBondContact O-CB 3.28Å; E1387-S1391 PolarHBondContact O-N 2.78Å; E1387-S1391 PolarHBondContact O-OG 2.9Å |
| 1388 | E | 82.1 | Confident | 79.9 | Confident | 139 Ų | 139 | 95.8 Ų | 95.8 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 171.6 | -175.7 | 170.6 | -146.5 | 0 | 0 | 110.6 | A1384 I1390 S1391 D1392 | A1384-E1388 WeakPolarHBondContact O-CB 3.31Å; A1384-E1388 PolarHBondContact O-N 3.25Å; E1388-I1390 PolarHBondContact O-N 2.78Å; E1388-S1391 WeakPolarHBondContact O-CB 3.47Å; E1388-S1391 PolarHBondContact O-N 3.49Å; E1388-D1392 PolarHBondContact O-N 3.09Å |
| 1389 | T | 81.8 | Confident | 79.9 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 28% | 0.282 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | Y1385 F1386 D1392 Y1393 | Y1385-T1389 VanDerWaalsContact O-CB 3.31Å; Y1385-T1389 WeakPolarHBondContact O-CB 3.41Å; Y1385-T1389 PolarHBondContact O-N 3.39Å; Y1385-T1389 PolarHBondContact O-OG1 2.82Å; F1386-T1389 PolarHBondContact O-N 2.81Å; T1389-D1392 PolarHBondContact O-N 2.83Å; T1389-Y1393 HydrophobicContact CG2-CD2 3.91Å; T1389-Y1393 HydrophobicContact CG2-CE2 3.69Å; T1389-Y1393 WeakPolarHBondContact O-CD2 3.49Å; T1389-Y1393 PolarHBondContact O-N 3.41Å |
| 1390 | I | 76.8 | Confident | 80 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.4 | -72 | 164.3 | 0 | 0 | 0 | 110.2 | F1386 E1387 E1388 D1392 Y1393 D1394 | F1386-I1390 WeakPolarHBondContact O-CB 3.24Å; F1386-I1390 WeakPolarHBondContact O-CD1 3.33Å; F1386-I1390 WeakPolarHBondContact O-CG1 3.32Å; F1386-I1390 PolarHBondContact O-N 2.88Å; E1387-I1390 PolarHBondContact O-N 3.47Å; E1388-I1390 PolarHBondContact O-N 2.78Å; I1390-D1392 VanDerWaalsContact C-N 3.27Å; I1390-D1392 PolarHBondContact O-N 3.38Å; I1390-Y1393 CarbonylContact O-C 3.56Å; I1390-Y1393 WeakPolarHBondContact O-CA 3.35Å; I1390-Y1393 WeakPolarHBondContact O-CB 3.37Å; I1390-Y1393 PolarHBondContact O-N 2.76Å; I1390-Y1393 VanDerWaalsContact O-N 3.14Å; I1390-D1394 PolarHBondContact O-N 3.47Å |
| 1391 | S | 81.1 | Confident | 80.1 | Confident | 70 Ų | 70 | 106.4 Ų | 106.4 | 49% | 0.49 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | E1387 E1388 D1394 R1395 | E1387-S1391 VanDerWaalsContact O-CB 3.27Å; E1387-S1391 WeakPolarHBondContact O-CB 3.28Å; E1387-S1391 PolarHBondContact O-N 2.78Å; E1387-S1391 PolarHBondContact O-OG 2.9Å; E1388-S1391 WeakPolarHBondContact O-CB 3.47Å; E1388-S1391 PolarHBondContact O-N 3.49Å; S1391-D1394 PolarHBondContact O-N 3.05Å; S1391-R1395 WeakPolarHBondContact O-CB 3.22Å; S1391-R1395 VanDerWaalsContact O-CG 3.31Å; S1391-R1395 WeakPolarHBondContact O-CG 3.1Å; S1391-R1395 PolarHBondContact O-N 3.1Å |
| 1392 | D | 80 | Confident | 80.3 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.6 | -29.4 | 176.8 | -131.6 | 38.9 | 0 | 0 | 0 | 112.5 | E1388 T1389 I1390 R1395 Q1396 | E1388-D1392 PolarHBondContact O-N 3.09Å; T1389-D1392 PolarHBondContact O-N 2.83Å; I1390-D1392 VanDerWaalsContact C-N 3.27Å; I1390-D1392 PolarHBondContact O-N 3.38Å; D1392-R1395 WeakPolarHBondContact OD1-CD 3.07Å; D1392-R1395 IonicContact OD1-NH1 3.05Å; D1392-Q1396 WeakPolarHBondContact O-CG 3.41Å; D1392-Q1396 PolarHBondContact O-N 2.95Å |
| 1393 | Y | 80.4 | Confident | 80.5 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 165 | -83.4 | -59.6 | 0 | 0 | 0 | 112.4 | T1389 I1390 Q1396 N1397 | T1389-Y1393 HydrophobicContact CG2-CD2 3.91Å; T1389-Y1393 HydrophobicContact CG2-CE2 3.69Å; T1389-Y1393 WeakPolarHBondContact O-CD2 3.49Å; T1389-Y1393 PolarHBondContact O-N 3.41Å; I1390-Y1393 CarbonylContact O-C 3.56Å; I1390-Y1393 WeakPolarHBondContact O-CA 3.35Å; I1390-Y1393 WeakPolarHBondContact O-CB 3.37Å; I1390-Y1393 PolarHBondContact O-N 2.76Å; I1390-Y1393 VanDerWaalsContact O-N 3.14Å; Y1393-Q1396 CarbonylContact O-C 3.58Å; Y1393-Q1396 WeakPolarHBondContact O-CA 3.21Å; Y1393-Q1396 WeakPolarHBondContact O-CB 3.45Å; Y1393-Q1396 PolarHBondContact O-N 3.22Å; Y1393-Q1396 VanDerWaalsContact O-N 3.1Å; Y1393-N1397 PolarHBondContact O-N 2.76Å; Y1393-N1397 PolarHBondContact O-ND2 3.04Å |
| 1394 | D | 80 | Confident | 80.7 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.7 | -28.7 | 176.6 | -87.1 | -20.2 | 0 | 0 | 0 | 113.1 | I1390 S1391 Q1396 N1397 T1398 | I1390-D1394 PolarHBondContact O-N 3.47Å; S1391-D1394 PolarHBondContact O-N 3.05Å; D1394-Q1396 VanDerWaalsContact C-N 3.34Å; D1394-N1397 PolarHBondContact O-N 2.71Å; D1394-N1397 PolarHBondContact OD1-ND2 3.45Å; D1394-T1398 VanDerWaalsContact O-CB 3.23Å; D1394-T1398 WeakPolarHBondContact O-CB 3.38Å; D1394-T1398 PolarHBondContact O-N 3.41Å; D1394-T1398 PolarHBondContact O-OG1 3.13Å |
| 1395 | R | 82.7 | Confident | 80.9 | Confident | 158 Ų | 158 | 106.7 Ų | 106.7 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 163.6 | -77.7 | 171.3 | 164.7 | -169.8 | 0.1 | 111.9 | S1391 D1392 R1399 | S1391-R1395 WeakPolarHBondContact O-CB 3.22Å; S1391-R1395 VanDerWaalsContact O-CG 3.31Å; S1391-R1395 WeakPolarHBondContact O-CG 3.1Å; S1391-R1395 PolarHBondContact O-N 3.1Å; D1392-R1395 WeakPolarHBondContact OD1-CD 3.07Å; D1392-R1395 IonicContact OD1-NH1 3.05Å; R1395-R1399 WeakPolarHBondContact O-CB 3.5Å; R1395-R1399 WeakPolarHBondContact O-CD 3.36Å; R1395-R1399 VanDerWaalsContact O-CG 3.22Å; R1395-R1399 WeakPolarHBondContact O-CG 3.42Å; R1395-R1399 PolarHBondContact O-N 2.95Å |
| 1396 | Q | 82.8 | Confident | 80.7 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 173 | -74.2 | -176.7 | 59.4 | 0 | 0 | 112.1 | D1392 Y1393 D1394 T1398 R1399 L1400 | D1392-Q1396 WeakPolarHBondContact O-CG 3.41Å; D1392-Q1396 PolarHBondContact O-N 2.95Å; Y1393-Q1396 CarbonylContact O-C 3.58Å; Y1393-Q1396 WeakPolarHBondContact O-CA 3.21Å; Y1393-Q1396 WeakPolarHBondContact O-CB 3.45Å; Y1393-Q1396 PolarHBondContact O-N 3.22Å; Y1393-Q1396 VanDerWaalsContact O-N 3.1Å; D1394-Q1396 VanDerWaalsContact C-N 3.34Å; Q1396-T1398 VanDerWaalsContact C-N 3.33Å; Q1396-T1398 PolarHBondContact O-N 2.91Å; Q1396-R1399 WeakPolarHBondContact O-CB 3.3Å; Q1396-R1399 PolarHBondContact O-N 3.44Å; Q1396-L1400 WeakPolarHBondContact O-CB 3.42Å; Q1396-L1400 WeakPolarHBondContact O-CG 3.41Å; Q1396-L1400 PolarHBondContact O-N 2.74Å |
| 1397 | N | 76.2 | Confident | 80.6 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 174.9 | -73.3 | -32.1 | 0 | 0 | 0 | 111.2 | Y1393 D1394 L1400 K1401 | Y1393-N1397 PolarHBondContact O-N 2.76Å; Y1393-N1397 PolarHBondContact O-ND2 3.04Å; D1394-N1397 PolarHBondContact O-N 2.71Å; D1394-N1397 PolarHBondContact OD1-ND2 3.45Å; N1397-L1400 PolarHBondContact O-N 3.36Å; N1397-K1401 VanDerWaalsContact O-CB 3.24Å; N1397-K1401 WeakPolarHBondContact O-CB 3.34Å; N1397-K1401 PolarHBondContact O-N 3.29Å |
| 1398 | T | 82.7 | Confident | 80.4 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | D1394 Q1396 K1401 N1402 | D1394-T1398 VanDerWaalsContact O-CB 3.23Å; D1394-T1398 WeakPolarHBondContact O-CB 3.38Å; D1394-T1398 PolarHBondContact O-N 3.41Å; D1394-T1398 PolarHBondContact O-OG1 3.13Å; Q1396-T1398 VanDerWaalsContact C-N 3.33Å; Q1396-T1398 PolarHBondContact O-N 2.91Å; T1398-K1401 PolarHBondContact O-N 2.87Å; T1398-N1402 WeakPolarHBondContact O-CB 3.27Å; T1398-N1402 PolarHBondContact O-N 2.98Å |
| 1399 | R | 81.5 | Confident | 80.2 | Confident | 168 Ų | 168 | 100.5 Ų | 100.5 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 172.6 | -75.6 | 168 | 177.4 | 164 | 1.5 | 111.9 | R1395 Q1396 R1403 | R1395-R1399 WeakPolarHBondContact O-CB 3.5Å; R1395-R1399 WeakPolarHBondContact O-CD 3.36Å; R1395-R1399 VanDerWaalsContact O-CG 3.22Å; R1395-R1399 WeakPolarHBondContact O-CG 3.42Å; R1395-R1399 PolarHBondContact O-N 2.95Å; Q1396-R1399 WeakPolarHBondContact O-CB 3.3Å; Q1396-R1399 PolarHBondContact O-N 3.44Å; R1399-R1403 VanDerWaalsContact O-CB 3.32Å; R1399-R1403 WeakPolarHBondContact O-CB 3.48Å; R1399-R1403 PolarHBondContact O-N 3.21Å |
| 1400 | L | 78.3 | Confident | 79.9 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 177.6 | -72.5 | 170.1 | 0 | 0 | 0 | 112.1 | Q1396 N1397 R1403 I1404 | Q1396-L1400 WeakPolarHBondContact O-CB 3.42Å; Q1396-L1400 WeakPolarHBondContact O-CG 3.41Å; Q1396-L1400 PolarHBondContact O-N 2.74Å; N1397-L1400 PolarHBondContact O-N 3.36Å; L1400-R1403 CarbonylContact O-C 3.58Å; L1400-R1403 PolarHBondContact O-N 3.02Å; L1400-I1404 VanDerWaalsContact O-CG1 3.31Å; L1400-I1404 WeakPolarHBondContact O-CG1 3.13Å; L1400-I1404 PolarHBondContact O-N 3.47Å |
| 1401 | K | 82.8 | Confident | 79.6 | Confident | 156 Ų | 156 | 103.8 Ų | 103.8 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 177.7 | -161.3 | 172.7 | -171.6 | 176.9 | 0 | 110.9 | N1397 T1398 R1403 I1404 S1405 | N1397-K1401 VanDerWaalsContact O-CB 3.24Å; N1397-K1401 WeakPolarHBondContact O-CB 3.34Å; N1397-K1401 PolarHBondContact O-N 3.29Å; T1398-K1401 PolarHBondContact O-N 2.87Å; K1401-R1403 VanDerWaalsContact C-N 3.34Å; K1401-R1403 PolarHBondContact O-N 3.32Å; K1401-I1404 PolarHBondContact O-N 3.3Å; K1401-S1405 PolarHBondContact O-N 2.87Å; K1401-S1405 PolarHBondContact O-OG 2.83Å |
| 1402 | N | 83.3 | Confident | 79.4 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 171.7 | -70.1 | -8.3 | 0 | 0 | 0 | 111.5 | T1398 I1404 S1405 E1406 | T1398-N1402 WeakPolarHBondContact O-CB 3.27Å; T1398-N1402 PolarHBondContact O-N 2.98Å; N1402-I1404 VanDerWaalsContact C-N 3.33Å; N1402-I1404 PolarHBondContact O-N 2.92Å; N1402-S1405 PolarHBondContact O-N 3.38Å; N1402-E1406 PolarHBondContact O-N 3.28Å |
| 1403 | R | 84.1 | Confident | 79 | Confident | 127 Ų | 127 | 111.4 Ų | 111.4 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -32.9 | 177.8 | -171.4 | 57 | 175.6 | 169.3 | 7.9 | 113 | R1399 L1400 K1401 E1406 L1407 | R1399-R1403 VanDerWaalsContact O-CB 3.32Å; R1399-R1403 WeakPolarHBondContact O-CB 3.48Å; R1399-R1403 PolarHBondContact O-N 3.21Å; L1400-R1403 CarbonylContact O-C 3.58Å; L1400-R1403 PolarHBondContact O-N 3.02Å; K1401-R1403 VanDerWaalsContact C-N 3.34Å; K1401-R1403 PolarHBondContact O-N 3.32Å; R1403-E1406 WeakPolarHBondContact CD-OE2 3.38Å; R1403-E1406 IonicContact CZ-OE2 3.42Å; R1403-E1406 IonicContact NE-OE2 3.33Å; R1403-E1406 IonicContact NH1-OE2 2.67Å; R1403-E1406 PolarHBondContact NH1-OE2 3.04Å; R1403-L1407 HydrophobicContact CG-CD1 4.31Å; R1403-L1407 WeakPolarHBondContact O-CB 3.27Å; R1403-L1407 VanDerWaalsContact O-CG 3.25Å; R1403-L1407 WeakPolarHBondContact O-CG 2.92Å; R1403-L1407 PolarHBondContact O-N 3.43Å |
| 1404 | I | 79.3 | Confident | 78.2 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 171.6 | -71.6 | 163.1 | 0 | 0 | 0 | 110.1 | L1400 K1401 N1402 L1407 Q1408 | L1400-I1404 VanDerWaalsContact O-CG1 3.31Å; L1400-I1404 WeakPolarHBondContact O-CG1 3.13Å; L1400-I1404 PolarHBondContact O-N 3.47Å; K1401-I1404 PolarHBondContact O-N 3.3Å; N1402-I1404 VanDerWaalsContact C-N 3.33Å; N1402-I1404 PolarHBondContact O-N 2.92Å; I1404-L1407 PolarHBondContact O-N 2.65Å; I1404-Q1408 HydrophobicContact CG2-CG 4.39Å; I1404-Q1408 WeakPolarHBondContact O-CB 3.4Å; I1404-Q1408 VanDerWaalsContact O-CG 3.28Å; I1404-Q1408 WeakPolarHBondContact O-CG 3.32Å; I1404-Q1408 PolarHBondContact O-N 3.38Å |
| 1405 | S | 82.1 | Confident | 77.3 | Confident | 57 Ų | 57 | 111.2 Ų | 111.2 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 175.2 | -61 | 0 | 0 | 0 | 0 | 113.2 | K1401 N1402 Q1408 L1409 | K1401-S1405 PolarHBondContact O-N 2.87Å; K1401-S1405 PolarHBondContact O-OG 2.83Å; N1402-S1405 PolarHBondContact O-N 3.38Å; S1405-Q1408 PolarHBondContact O-N 2.99Å; S1405-L1409 PolarHBondContact O-N 3.46Å |
| 1406 | E | 79.1 | Confident | 75.9 | Confident | 103 Ų | 103 | 108.1 Ų | 108.1 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 169.6 | -73.5 | -178.6 | 157.6 | 0 | 0 | 111.3 | N1402 R1403 Q1408 L1409 E1410 | N1402-E1406 PolarHBondContact O-N 3.28Å; R1403-E1406 WeakPolarHBondContact CD-OE2 3.38Å; R1403-E1406 IonicContact CZ-OE2 3.42Å; R1403-E1406 IonicContact NE-OE2 3.33Å; R1403-E1406 IonicContact NH1-OE2 2.67Å; R1403-E1406 PolarHBondContact NH1-OE2 3.04Å; E1406-Q1408 VanDerWaalsContact C-N 3.32Å; E1406-Q1408 PolarHBondContact O-N 3.47Å; E1406-L1409 PolarHBondContact O-N 2.87Å; E1406-E1410 WeakPolarHBondContact O-CB 3.07Å; E1406-E1410 PolarHBondContact O-N 2.99Å |
| 1407 | L | 76.1 | Confident | 74.4 | Confident | 74 Ų | 74 | 109.3 Ų | 109.3 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -32.3 | 179.7 | -71.6 | 168.4 | 0 | 0 | 0 | 112.6 | R1403 I1404 E1410 L1411 | R1403-L1407 HydrophobicContact CG-CD1 4.31Å; R1403-L1407 WeakPolarHBondContact O-CB 3.27Å; R1403-L1407 VanDerWaalsContact O-CG 3.25Å; R1403-L1407 WeakPolarHBondContact O-CG 2.92Å; R1403-L1407 PolarHBondContact O-N 3.43Å; I1404-L1407 PolarHBondContact O-N 2.65Å; L1407-E1410 PolarHBondContact O-N 3.5Å; L1407-L1411 VanDerWaalsContact O-CB 3.31Å; L1407-L1411 WeakPolarHBondContact O-CB 3.37Å; L1407-L1411 WeakPolarHBondContact O-CG 3.42Å; L1407-L1411 PolarHBondContact O-N 3.11Å |
| 1408 | Q | 74.6 | Confident | 72.8 | Confident | 117 Ų | 117 | 111.6 Ų | 111.6 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 172 | -76.1 | 171.1 | -23.7 | 0 | 0 | 111.9 | I1404 S1405 E1406 K1412 | I1404-Q1408 HydrophobicContact CG2-CG 4.39Å; I1404-Q1408 WeakPolarHBondContact O-CB 3.4Å; I1404-Q1408 VanDerWaalsContact O-CG 3.28Å; I1404-Q1408 WeakPolarHBondContact O-CG 3.32Å; I1404-Q1408 PolarHBondContact O-N 3.38Å; S1405-Q1408 PolarHBondContact O-N 2.99Å; E1406-Q1408 VanDerWaalsContact C-N 3.32Å; E1406-Q1408 PolarHBondContact O-N 3.47Å; Q1408-K1412 WeakPolarHBondContact O-CB 3.36Å; Q1408-K1412 PolarHBondContact O-N 3.34Å |
| 1409 | L | 78.9 | Confident | 70.6 | Confident | 104 Ų | 104 | 114.2 Ų | 114.2 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.8 | -36.3 | 172.8 | -81.1 | 166.2 | 0 | 0 | 0 | 112.3 | S1405 E1406 K1412 R1413 | S1405-L1409 PolarHBondContact O-N 3.46Å; E1406-L1409 PolarHBondContact O-N 2.87Å; L1409-K1412 PolarHBondContact O-N 3.3Å; L1409-R1413 WeakPolarHBondContact O-CB 3.27Å; L1409-R1413 VanDerWaalsContact O-CG 3.31Å; L1409-R1413 WeakPolarHBondContact O-CG 3.23Å; L1409-R1413 PolarHBondContact O-N 2.7Å |
| 1410 | E | 75.7 | Confident | 68.4 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.1 | -42.3 | 177.1 | -164.3 | 157.4 | -124 | 0 | 0 | 111.4 | E1406 L1407 R1413 L1414 | E1406-E1410 WeakPolarHBondContact O-CB 3.07Å; E1406-E1410 PolarHBondContact O-N 2.99Å; L1407-E1410 PolarHBondContact O-N 3.5Å; E1410-R1413 PolarHBondContact O-N 2.72Å; E1410-L1414 WeakPolarHBondContact O-CG 3.35Å; E1410-L1414 PolarHBondContact O-N 2.62Å |
| 1411 | L | 69.6 | Low | 66.1 | Low | 110 Ų | 110 | 113.3 Ų | 113.3 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.3 | -43 | 169.4 | -81.1 | 167.8 | 0 | 0 | 0 | 112.5 | L1407 L1414 T1415 | L1407-L1411 VanDerWaalsContact O-CB 3.31Å; L1407-L1411 WeakPolarHBondContact O-CB 3.37Å; L1407-L1411 WeakPolarHBondContact O-CG 3.42Å; L1407-L1411 PolarHBondContact O-N 3.11Å; L1411-L1414 PolarHBondContact O-N 3.35Å; L1411-T1415 WeakPolarHBondContact O-CB 3.16Å; L1411-T1415 PolarHBondContact O-N 2.64Å; L1411-T1415 PolarHBondContact O-OG1 3.28Å |
| 1412 | K | 77.1 | Confident | 63.5 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.7 | -46.2 | 176.4 | -172.2 | 165.6 | -176.4 | 170.9 | 0 | 110.9 | Q1408 L1409 L1414 T1415 D1416 | Q1408-K1412 WeakPolarHBondContact O-CB 3.36Å; Q1408-K1412 PolarHBondContact O-N 3.34Å; L1409-K1412 PolarHBondContact O-N 3.3Å; K1412-L1414 VanDerWaalsContact C-N 3.33Å; K1412-L1414 PolarHBondContact O-N 2.94Å; K1412-T1415 WeakPolarHBondContact O-CB 3.17Å; K1412-T1415 PolarHBondContact O-N 3.25Å; K1412-T1415 VanDerWaalsContact O-N 3.1Å; K1412-D1416 VanDerWaalsContact O-CG 3.27Å; K1412-D1416 PolarHBondContact O-N 3.3Å |
| 1413 | R | 72.1 | Confident | 60.9 | Low | 173 Ų | 173 | 115.6 Ų | 115.6 | 65% | 0.653 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.8 | -37.8 | 173 | -74.9 | 171.9 | 175.1 | 174.4 | 0.5 | 113.2 | L1409 E1410 N1417 | L1409-R1413 WeakPolarHBondContact O-CB 3.27Å; L1409-R1413 VanDerWaalsContact O-CG 3.31Å; L1409-R1413 WeakPolarHBondContact O-CG 3.23Å; L1409-R1413 PolarHBondContact O-N 2.7Å; E1410-R1413 PolarHBondContact O-N 2.72Å; R1413-N1417 WeakPolarHBondContact O-CB 3.43Å; R1413-N1417 PolarHBondContact O-N 2.93Å; R1413-N1417 PolarHBondContact O-ND2 2.79Å |
| 1414 | L | 63.8 | Low | 58.3 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 55% | 0.55 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.3 | -32.1 | 175.1 | -75.1 | 165.2 | 0 | 0 | 0 | 112.4 | E1410 L1411 K1412 N1418 | E1410-L1414 WeakPolarHBondContact O-CG 3.35Å; E1410-L1414 PolarHBondContact O-N 2.62Å; L1411-L1414 PolarHBondContact O-N 3.35Å; K1412-L1414 VanDerWaalsContact C-N 3.33Å; K1412-L1414 PolarHBondContact O-N 2.94Å; L1414-N1418 PolarHBondContact O-N 3.03Å; L1414-N1418 PolarHBondContact O-ND2 3.24Å |
| 1415 | T | 60.5 | Low | 55.9 | Low | 88 Ų | 88 | 120.1 Ų | 120.1 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.4 | -49 | 176.1 | -54.1 | 0 | 0 | 0 | 0 | 111 | L1411 K1412 N1417 N1418 | L1411-T1415 WeakPolarHBondContact O-CB 3.16Å; L1411-T1415 PolarHBondContact O-N 2.64Å; L1411-T1415 PolarHBondContact O-OG1 3.28Å; K1412-T1415 WeakPolarHBondContact O-CB 3.17Å; K1412-T1415 PolarHBondContact O-N 3.25Å; K1412-T1415 VanDerWaalsContact O-N 3.1Å; T1415-N1417 VanDerWaalsContact C-N 3.31Å; T1415-N1417 PolarHBondContact O-N 3.45Å; T1415-N1418 PolarHBondContact O-N 2.75Å; T1415-N1418 VanDerWaalsContact O-N 3.15Å |
| 1416 | D | 53.7 | Low | 53.3 | Low | 92 Ų | 92 | 126.1 Ų | 126.1 | 49% | 0.492 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.7 | -37.7 | -179.6 | -66.7 | -26.3 | 0 | 0 | 0 | 112 | K1412 | K1412-D1416 VanDerWaalsContact O-CG 3.27Å; K1412-D1416 PolarHBondContact O-N 3.3Å |
| 1417 | N | 51.3 | Low | 50.8 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.3 | -20.2 | 177.6 | -77.7 | -56.4 | 0 | 0 | 0 | 114.3 | R1413 T1415 N1419 | R1413-N1417 WeakPolarHBondContact O-CB 3.43Å; R1413-N1417 PolarHBondContact O-N 2.93Å; R1413-N1417 PolarHBondContact O-ND2 2.79Å; T1415-N1417 VanDerWaalsContact C-N 3.31Å; T1415-N1417 PolarHBondContact O-N 3.45Å; N1417-N1419 VanDerWaalsContact C-N 3.27Å; N1417-N1419 PolarHBondContact O-N 3.23Å |
| 1418 | N | 41.3 | Very low | 49.1 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -6 | -175.6 | -102.4 | -28 | 0 | 0 | 0 | 114.5 | L1414 T1415 N1420 | L1414-N1418 PolarHBondContact O-N 3.03Å; L1414-N1418 PolarHBondContact O-ND2 3.24Å; T1415-N1418 PolarHBondContact O-N 2.75Å; T1415-N1418 VanDerWaalsContact O-N 3.15Å; N1418-N1420 VanDerWaalsContact C-N 3.29Å; N1418-N1420 PolarHBondContact O-N 3.3Å |
| 1419 | N | 37.7 | Very low | 47.1 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 1.3 | -179.4 | -77.9 | -47.6 | 0 | 0 | 0 | 114.9 | N1417 | N1417-N1419 VanDerWaalsContact C-N 3.27Å; N1417-N1419 PolarHBondContact O-N 3.23Å |
| 1420 | N | 34.6 | Very low | 44.7 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -117 | 90.1 | -179.4 | -73.3 | -60.4 | 0 | 0 | 0 | 113.4 | N1418 | N1418-N1420 VanDerWaalsContact C-N 3.29Å; N1418-N1420 PolarHBondContact O-N 3.3Å |
| 1421 | T | 30.8 | Very low | 42.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | 42.1 | 116.7 | 147.2 | 55 | 0 | 0 | 0 | 0 | 121 | ||||
| 1422 | V | 28.8 | Very low | 40.9 | Very low | 121 Ų | 121 | 139 Ų | 139 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | 77.8 | 108.5 | 130.2 | 178.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1423 | E | 26.8 | Very low | 38.7 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | 62.7 | 124 | 142.9 | -65.5 | -176.9 | 154.8 | 0 | 0 | 122.9 | ||||
| 1424 | A | 29.7 | Very low | 36.6 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | trans | 86.4 | 117.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1425 | R | 28.6 | Very low | 35.4 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | 85.2 | 104.1 | 143.2 | -63.5 | 165.3 | -171.9 | -129.5 | 1.4 | 120.2 | ||||
| 1426 | H | 27.8 | Very low | 33.8 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -10 | 127.8 | 136.6 | -51.8 | 79.3 | 0 | 0 | 0 | 117.3 | ||||
| 1427 | E | 28.2 | Very low | 32.7 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | 178.8 | 165.7 | 105.2 | -93.8 | -149.1 | 131 | 0 | 0 | 111.5 | |||||
| 1428 | P | 38.9 | Very low | 31.5 | Very low | 100 Ų | 100 | 144 Ų | 144 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -127.3 | -173.5 | -140.5 | 34.8 | -15.8 | 0 | 0 | 0 | 118.2 | ||||
| 1429 | I | 34.1 | Very low | 30.9 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 77.2 | 115.4 | 162.5 | -34.4 | 176.5 | 0 | 0 | 0 | 117.3 | ||||
| 1430 | K | 27.6 | Very low | 30.5 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -176 | 147.3 | 115.6 | -99.7 | 166.8 | -171.3 | 175.4 | 0 | 116.9 | |||||
| 1431 | V | 35.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -71.5 | 145.8 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1432 | V | 29.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -141.2 | 114.5 | 155.5 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1433 | D | 31.4 | Very low | 30.2 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -82.8 | 135.7 | 164.9 | -55.4 | -81.6 | 0 | 0 | 0 | 110.6 | ||||
| 1434 | T | 29.1 | Very low | 30.5 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -169.8 | 126.6 | 138.2 | 1.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1435 | P | 38.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -91 | 160.2 | 164.8 | 36.4 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 1436 | L | 26.9 | Very low | 31 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 94% | 0.937 | 77% | 0.769 | S | S | * | * | trans | -148.3 | 148.2 | 160.2 | -146.4 | 74.1 | 0 | 0 | 0 | 111.9 | ||||
| 1437 | T | 29.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -112.9 | 155.2 | -170 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1438 | T | 27.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -171.2 | 122.8 | 141.2 | 11.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1439 | S | 28 | Very low | 31.4 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 62.2 | 142.3 | 74.5 | -103.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1440 | T | 29.4 | Very low | 31 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -162.2 | 159.4 | 20.9 | -0.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1441 | Q | 29.1 | Very low | 30.9 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -167.9 | 178.9 | -2.7 | -151.6 | 171.2 | 2.1 | 0 | 0 | 109.4 | ||||
| 1442 | S | 29.2 | Very low | 30.8 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | 83.6 | 126.1 | 150.1 | -137.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1443 | M | 30.5 | Very low | 30.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | cis | -167.3 | 165.6 | -1.2 | -123.2 | -170.8 | -174.1 | 0 | 0 | 108.5 | ||||
| 1444 | V | 31.7 | Very low | 30.6 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -155.3 | 154 | -0.1 | 74.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1445 | S | 34 | Very low | 30.5 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | 29.8 | 143.2 | 149.8 | -68 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1446 | R | 34.4 | Very low | 30 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | cis | -145.4 | 142.5 | -4.7 | -90.8 | 139.5 | -175.8 | -178.5 | 0.1 | 107 | ||||
| 1447 | H | 31.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | cis | 94.2 | 154.9 | 27.6 | -146.5 | 69.4 | 0 | 0 | 0 | 114.7 | ||||
| 1448 | D | 32.4 | Very low | 30 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 70.1 | 117.2 | -170.8 | -44.3 | -33.1 | 0 | 0 | 0 | 112.7 | ||||
| 1449 | V | 40.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | cis | 66.5 | 96.8 | 19.3 | -168 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1450 | D | 26.4 | Very low | 30.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | -166.2 | 163.6 | 132.6 | -126.2 | -15.8 | 0 | 0 | 0 | 115.8 | ||||
| 1451 | V | 25.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | 42.7 | 107.9 | 147.8 | 175.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 1452 | Q | 31.8 | Very low | 30.1 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | 10.8 | 112.1 | 127.5 | -178.7 | -173 | -13.6 | 0 | 0 | 119.1 | |||||
| 1453 | C | 25.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -156.5 | 130.8 | 147.5 | -101.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1454 | D | 31.5 | Very low | 30 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | 43.7 | 108.2 | 70.5 | -83.9 | -33.4 | 0 | 0 | 0 | 112.8 | |||||
| 1455 | I | 27.3 | Very low | 30 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 174.5 | 109.1 | 133.3 | -90.5 | 152.7 | 0 | 0 | 0 | 110.3 | ||||
| 1456 | K | 27.9 | Very low | 29.7 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 47.9 | 111.7 | 143 | -50.8 | 171.4 | -161.6 | 165.1 | 0 | 118.3 | N1458 | K1456-N1458 PolarHBondContact O-N 2.97Š| ||
| 1457 | L | 28.8 | Very low | 29.4 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | -47.7 | 106.5 | 127.9 | -69.6 | 164.7 | 0 | 0 | 0 | 107.9 | E1459 | L1457-E1459 PolarHBondContact O-N 2.8Š| |||
| 1458 | N | 26.4 | Very low | 29.4 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | trans | -88.3 | 91.7 | -179.1 | -169.1 | 81.4 | 0 | 0 | 0 | 110.1 | K1456 N1460 | K1456-N1458 PolarHBondContact O-N 2.97Å; N1458-N1460 PolarHBondContact ND2-O 3.23Å | ||
| 1459 | E | 31.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -54.3 | 156 | 162 | -58.4 | 173.7 | 132.4 | 0 | 0 | 110.6 | L1457 | L1457-E1459 PolarHBondContact O-N 2.8Š| ||
| 1460 | N | 27.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | trans | 72.6 | 125.7 | -175.9 | -37.7 | -82.1 | 0 | 0 | 0 | 113 | N1458 | N1458-N1460 PolarHBondContact ND2-O 3.23Š| ||
| 1461 | N | 29.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | cis | -113.2 | 138.8 | 20.5 | -61.8 | -36.5 | 0 | 0 | 0 | 112.2 | ||||
| 1462 | A | 28.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 60% | 0.595 | 73% | 0.727 | S | S | * | * | cis | 71.9 | 138.9 | 36.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1463 | L | 30.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | cis | -170.8 | -163.1 | -17.6 | -158.4 | 76.7 | 0 | 0 | 0 | 105.8 | ||||
| 1464 | I | 28.3 | Very low | 30 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | trans | 74.1 | 121.4 | 164.3 | -61.2 | 158.3 | 0 | 0 | 0 | 112.9 | ||||
| 1465 | N | 30.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | cis | -165.8 | 170.2 | 5.9 | -107.8 | 8.2 | 0 | 0 | 0 | 106.5 | ||||
| 1466 | T | 28.9 | Very low | 30.2 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | cis | 178.9 | 163.1 | -7.8 | 32.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1467 | T | 28.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -169.6 | 173.7 | -1.1 | -105 | 0 | 0 | 0 | 0 | 108 | ||||
| 1468 | T | 31.7 | Very low | 30.2 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | 66.1 | 135.4 | 173.1 | 46.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1469 | N | 33.2 | Very low | 30.3 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | -139.1 | 130.3 | -0.5 | -75 | -49.1 | 0 | 0 | 0 | 107.2 | ||||
| 1470 | T | 33 | Very low | 30.2 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | 70.3 | 127.2 | 63 | 62.9 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1471 | N | 33.4 | Very low | 30.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 82.3 | 139.6 | 159.4 | -58.6 | -18.6 | 0 | 0 | 0 | 117.9 | ||||
| 1472 | I | 31.7 | Very low | 30.1 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -153 | 155 | 1 | -115.8 | 159.6 | 0 | 0 | 0 | 110.7 | ||||
| 1473 | C | 31.5 | Very low | 30 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | trans | -107.3 | 159.7 | 172.1 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1474 | N | 32.2 | Very low | 29.8 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | 165.5 | 138.2 | 116.2 | -82 | -30.6 | 0 | 0 | 0 | 116.6 | |||||
| 1475 | H | 33.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 26.5 | 133.6 | 143.8 | -69.3 | -79.6 | 0 | 0 | 0 | 123.9 | ||||
| 1476 | E | 28.7 | Very low | 29.5 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | 179.2 | 163.8 | 105.9 | -94.2 | 177.1 | -170 | 0 | 0 | 109.1 | |||||
| 1477 | N | 30.4 | Very low | 29.4 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | 178.4 | 136.8 | -47.6 | -114.5 | -17.6 | 0 | 0 | 0 | 106.8 | ||||
| 1478 | G | 26.6 | Very low | 29.4 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 88.8 | 159.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1479 | T | 27.9 | Very low | 29.1 | Very low | 152 Ų | 152 | 132 Ų | 132 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | cis | -147.3 | 157.2 | -0.4 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1480 | A | 28.4 | Very low | 29.1 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -88.2 | 160 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1481 | S | 28.4 | Very low | 28.8 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -167 | 118.5 | 134.2 | -83.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1482 | S | 26 | Very low | 28.8 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | 30.4 | 141.1 | 113.9 | -63.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1483 | T | 26.3 | Very low | 28.8 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | cis | -172.3 | 156.4 | 17.4 | 3.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1484 | K | 26.3 | Very low | 28.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 63.4 | 158 | 147.9 | -75.3 | -177.4 | 177.8 | 179.1 | 0 | 118.6 | ||||
| 1485 | L | 25 | Very low | 28.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | cis | -161.7 | 170.4 | -30.1 | -161.4 | 121.8 | 0 | 0 | 0 | 107.8 | ||||
| 1486 | C | 28.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | -62.6 | 148.4 | -176.2 | -42.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1487 | S | 26.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -172.1 | 157.9 | 130.8 | 15.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1488 | E | 28.7 | Very low | 28.4 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -74.8 | 170.7 | 176.3 | -47.9 | 97.4 | 123.6 | 0 | 0 | 112.8 | ||||
| 1489 | V | 25.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | -168.5 | 126.2 | 112.5 | 143.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1490 | N | 32.1 | Very low | 28.8 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -74.7 | 138.7 | 172 | 179.8 | 5.3 | 0 | 0 | 0 | 110.6 | ||||
| 1491 | N | 27.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -160.2 | 99 | 166.4 | -99.7 | -58 | 0 | 0 | 0 | 112.8 | ||||
| 1492 | N | 33.7 | Very low | 29.3 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -75.4 | 137 | 157.6 | -80.9 | -24.3 | 0 | 0 | 0 | 109.9 | ||||
| 1493 | T | 30.6 | Very low | 30.4 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -137.5 | 138.3 | 154.7 | 23 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1494 | H | 32.6 | Very low | 31.5 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -87.9 | -175.2 | -172.4 | -163 | -83.1 | 0 | 0 | 0 | 111 | ||||
| 1495 | L | 29.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | 90.9 | 138.5 | 171.7 | -49.9 | 165 | 0 | 0 | 0 | 113.4 | ||||
| 1496 | Q | 28 | Very low | 34.1 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | cis | -150.8 | 162.5 | 0.3 | -138.7 | 155.7 | -24.5 | 0 | 0 | 111.7 | ||||
| 1497 | S | 31.2 | Very low | 35.4 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | -60.1 | 138.1 | 168.2 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1498 | N | 27.5 | Very low | 36.7 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -168 | 146.4 | 138.9 | -97.7 | -2.6 | 0 | 0 | 0 | 109.3 | E1500 | N1498-E1500 PolarHBondContact O-N 3.4Š| ||
| 1499 | D | 29.9 | Very low | 38.2 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | trans | -75.9 | 113.4 | 174.7 | -46.3 | -91.4 | 0 | 0 | 0 | 110.2 | ||||
| 1500 | E | 33.1 | Very low | 40 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 91% | 0.907 | 68% | 0.677 | S | S | * | * | trans | -148.5 | 76.1 | 166.3 | -130 | 166.3 | -135 | 0 | 0 | 110.2 | N1498 | N1498-E1500 PolarHBondContact O-N 3.4Š| ||
| 1501 | H | 31.3 | Very low | 41.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | trans | -65.8 | 158.6 | 169.4 | -105.9 | -99 | 0 | 0 | 0 | 111.5 | ||||
| 1502 | D | 36.1 | Very low | 42.7 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 83.1 | 15.6 | 153.5 | -49.1 | -20.8 | 0 | 0 | 0 | 122.7 | ||
| 1503 | D | 50.1 | Low | 44 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | trans | -121.8 | 3.5 | 174 | -168.7 | 54.9 | 0 | 0 | 0 | 116.6 | K1507 | D1503-K1507 IonicContact OD2-NZ 2.78Å; D1503-K1507 PolarHBondContact OD2-NZ 2.74Å | ||
| 1504 | W | 48.2 | Very low | 45.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.7 | -33.6 | -177.7 | 74.7 | -91 | 0 | 0 | 0 | 113.8 | E1506 K1507 V1508 | W1504-E1506 VanDerWaalsContact C-N 3.35Å; W1504-E1506 PolarHBondContact O-N 3.46Å; W1504-K1507 PolarHBondContact O-N 3.39Å; W1504-V1508 HydrophobicContact CE3-CG2 4.39Å; W1504-V1508 PolarHBondContact O-N 2.95Å |
| 1505 | I | 48.5 | Very low | 46.3 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 47% | 0.472 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.2 | -37.8 | -178.7 | -62.9 | 177.2 | 0 | 0 | 0 | 111.1 | V1508 R1509 | I1505-V1508 PolarHBondContact O-N 3.41Å; I1505-R1509 WeakPolarHBondContact O-CG 3.29Å; I1505-R1509 PolarHBondContact O-N 3.08Å |
| 1506 | E | 57.1 | Low | 47.1 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 41% | 0.407 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.5 | -36.9 | -179.2 | -172.9 | 55.1 | -155.3 | 0 | 0 | 111.6 | W1504 V1508 R1509 Q1510 | W1504-E1506 VanDerWaalsContact C-N 3.35Å; W1504-E1506 PolarHBondContact O-N 3.46Å; E1506-V1508 PolarHBondContact O-N 2.84Å; E1506-R1509 WeakPolarHBondContact O-CB 3.16Å; E1506-R1509 PolarHBondContact O-N 3.3Å; E1506-Q1510 HydrophobicContact CG-CG 4.47Å; E1506-Q1510 WeakPolarHBondContact O-CG 3.29Å; E1506-Q1510 PolarHBondContact O-N 3.33Å; E1506-Q1510 PolarHBondContact OE1-NE2 3.1Å |
| 1507 | K | 57.3 | Low | 48.2 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 54% | 0.543 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.6 | -44.8 | 172.5 | -73.5 | -171.9 | 178.5 | 80.3 | 0 | 112.7 | D1503 W1504 R1509 Q1510 E1511 | D1503-K1507 IonicContact OD2-NZ 2.78Å; D1503-K1507 PolarHBondContact OD2-NZ 2.74Å; W1504-K1507 PolarHBondContact O-N 3.39Å; K1507-R1509 VanDerWaalsContact C-N 3.32Å; K1507-R1509 PolarHBondContact O-N 3.1Å; K1507-Q1510 PolarHBondContact O-N 2.98Å; K1507-E1511 PolarHBondContact O-N 2.82Å; K1507-E1511 VanDerWaalsContact O-N 3.08Å |
| 1508 | V | 52.7 | Low | 48.8 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 42% | 0.424 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64 | -38.8 | 177 | 176.4 | 0 | 0 | 0 | 0 | 111 | W1504 I1505 E1506 E1511 I1512 | W1504-V1508 HydrophobicContact CE3-CG2 4.39Å; W1504-V1508 PolarHBondContact O-N 2.95Å; I1505-V1508 PolarHBondContact O-N 3.41Å; E1506-V1508 PolarHBondContact O-N 2.84Å; V1508-E1511 PolarHBondContact O-N 2.93Å; V1508-I1512 HydrophobicContact CG1-CD1 3.85Å; V1508-I1512 VanDerWaalsContact O-CG1 3.29Å; V1508-I1512 WeakPolarHBondContact O-CG1 3.31Å; V1508-I1512 PolarHBondContact O-N 3.45Å; V1508-I1512 VanDerWaalsContact O-N 3.11Å |
| 1509 | R | 59.4 | Low | 49.8 | Very low | 151 Ų | 151 | 125 Ų | 125 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61 | -43.4 | 172.2 | -73.3 | 171.4 | 177.8 | -117 | -3.8 | 112.2 | I1505 E1506 K1507 I1512 L1513 | I1505-R1509 WeakPolarHBondContact O-CG 3.29Å; I1505-R1509 PolarHBondContact O-N 3.08Å; E1506-R1509 WeakPolarHBondContact O-CB 3.16Å; E1506-R1509 PolarHBondContact O-N 3.3Å; K1507-R1509 VanDerWaalsContact C-N 3.32Å; K1507-R1509 PolarHBondContact O-N 3.1Å; R1509-I1512 PolarHBondContact O-N 3.06Å; R1509-L1513 VanDerWaalsContact O-CB 3.31Å; R1509-L1513 WeakPolarHBondContact O-CB 3.3Å; R1509-L1513 WeakPolarHBondContact O-CG 3.49Å; R1509-L1513 PolarHBondContact O-N 3.43Å |
| 1510 | Q | 64.9 | Low | 51 | Low | 86 Ų | 86 | 120.9 Ų | 120.9 | 40% | 0.402 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -37.8 | 179.8 | -67.9 | -74.4 | -31.8 | 0 | 0 | 112.8 | E1506 K1507 Q1514 | E1506-Q1510 HydrophobicContact CG-CG 4.47Å; E1506-Q1510 WeakPolarHBondContact O-CG 3.29Å; E1506-Q1510 PolarHBondContact O-N 3.33Å; E1506-Q1510 PolarHBondContact OE1-NE2 3.1Å; K1507-Q1510 PolarHBondContact O-N 2.98Å; Q1510-Q1514 VanDerWaalsContact O-CG 3.31Å; Q1510-Q1514 WeakPolarHBondContact O-CG 3.07Å; Q1510-Q1514 PolarHBondContact O-N 2.94Å; Q1510-Q1514 PolarHBondContact O-NE2 2.95Å |
| 1511 | E | 58.3 | Low | 51.6 | Low | 127 Ų | 127 | 114 Ų | 114 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.4 | -35.9 | 177.7 | -68.8 | -175.5 | 158 | 0 | 0 | 112.5 | K1507 V1508 Q1514 S1515 | K1507-E1511 PolarHBondContact O-N 2.82Å; K1507-E1511 VanDerWaalsContact O-N 3.08Å; V1508-E1511 PolarHBondContact O-N 2.93Å; E1511-Q1514 PolarHBondContact O-N 2.99Å; E1511-S1515 PolarHBondContact O-OG 3.47Å |
| 1512 | I | 56.3 | Low | 52.1 | Low | 109 Ų | 109 | 111 Ų | 111 | 56% | 0.559 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 171.1 | -68 | 168.5 | 0 | 0 | 0 | 110.8 | V1508 R1509 Q1514 | V1508-I1512 HydrophobicContact CG1-CD1 3.85Å; V1508-I1512 VanDerWaalsContact O-CG1 3.29Å; V1508-I1512 WeakPolarHBondContact O-CG1 3.31Å; V1508-I1512 PolarHBondContact O-N 3.45Å; V1508-I1512 VanDerWaalsContact O-N 3.11Å; R1509-I1512 PolarHBondContact O-N 3.06Å; I1512-Q1514 PolarHBondContact O-N 2.95Å |
| 1513 | L | 62.8 | Low | 52.4 | Low | 138 Ų | 138 | 108.9 Ų | 108.9 | 72% | 0.723 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.4 | 177.5 | -85.6 | 162.3 | 0 | 0 | 0 | 114.8 | R1509 | R1509-L1513 VanDerWaalsContact O-CB 3.31Å; R1509-L1513 WeakPolarHBondContact O-CB 3.3Å; R1509-L1513 WeakPolarHBondContact O-CG 3.49Å; R1509-L1513 PolarHBondContact O-N 3.43Å |
| 1514 | Q | 60.9 | Low | 51.7 | Low | 144 Ų | 144 | 108.1 Ų | 108.1 | 67% | 0.673 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 7.5 | -177.4 | -71.6 | 176.9 | 54.2 | 0 | 0 | 113.9 | Q1510 E1511 I1512 | Q1510-Q1514 VanDerWaalsContact O-CG 3.31Å; Q1510-Q1514 WeakPolarHBondContact O-CG 3.07Å; Q1510-Q1514 PolarHBondContact O-N 2.94Å; Q1510-Q1514 PolarHBondContact O-NE2 2.95Å; E1511-Q1514 PolarHBondContact O-N 2.99Å; I1512-Q1514 PolarHBondContact O-N 2.95Å |
| 1515 | S | 48.9 | Very low | 51.3 | Low | 42 Ų | 42 | 103.9 Ų | 103.9 | 29% | 0.294 | 55% | 0.546 | S | S | . | . | trans | -108.1 | 107.9 | -173.3 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | E1511 S1517 L1521 | E1511-S1515 PolarHBondContact O-OG 3.47Å; S1515-S1517 PolarHBondContact O-N 3.01Å; S1515-S1517 VanDerWaalsContact O-N 3.14Å; S1515-L1521 WeakPolarHBondContact OG-CD2 3.42Å | ||
| 1516 | D | 47.4 | Very low | 50.9 | Low | 177 Ų | 177 | 108.7 Ų | 108.7 | 95% | 0.947 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -64.5 | -15.1 | -175.5 | -69.3 | -38.2 | 0 | 0 | 0 | 115.3 | ||
| 1517 | S | 49.8 | Very low | 50.3 | Low | 47 Ų | 47 | 113 Ų | 113 | 33% | 0.329 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -152.4 | 146.1 | 170 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | S1515 D1519 S1520 | S1515-S1517 PolarHBondContact O-N 3.01Å; S1515-S1517 VanDerWaalsContact O-N 3.14Å; S1517-D1519 PolarHBondContact O-N 3.24Å; S1517-D1519 PolarHBondContact OG-N 3.22Å; S1517-D1519 PolarHBondContact OG-OD2 2.94Å; S1517-S1520 WeakPolarHBondContact O-CB 3.47Å; S1517-S1520 PolarHBondContact O-N 3.42Å; S1517-S1520 PolarHBondContact O-OG 3.41Å; S1517-S1520 VanDerWaalsContact O-OG 3.04Å |
| 1518 | I | 44.7 | Very low | 49 | Very low | 148 Ų | 148 | 110 Ų | 110 | 76% | 0.759 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -58.4 | -29.3 | 176.9 | -157.1 | 164.2 | 0 | 0 | 0 | 112.6 | S1520 | I1518-S1520 PolarHBondContact O-N 3.48Š|
| 1519 | D | 48.2 | Very low | 48.1 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -68.1 | -19.1 | 176.1 | -55.1 | -56.7 | 0 | 0 | 0 | 113.3 | S1517 L1521 | S1517-D1519 PolarHBondContact O-N 3.24Å; S1517-D1519 PolarHBondContact OG-N 3.22Å; S1517-D1519 PolarHBondContact OG-OD2 2.94Å; D1519-L1521 VanDerWaalsContact C-N 3.34Å; D1519-L1521 PolarHBondContact O-N 2.94Å |
| 1520 | S | 55.3 | Low | 46.8 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -78.7 | -17 | -172.2 | -48 | 0 | 0 | 0 | 0 | 113.5 | S1517 I1518 H1522 | S1517-S1520 WeakPolarHBondContact O-CB 3.47Å; S1517-S1520 PolarHBondContact O-N 3.42Å; S1517-S1520 PolarHBondContact O-OG 3.41Å; S1517-S1520 VanDerWaalsContact O-OG 3.04Å; I1518-S1520 PolarHBondContact O-N 3.48Å; S1520-H1522 PolarHBondContact O-N 2.89Å |
| 1521 | L | 45.2 | Very low | 45.4 | Very low | 51 Ų | 51 | 121.9 Ų | 121.9 | 27% | 0.267 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -78.8 | -8.6 | -167.3 | -84.2 | 160.3 | 0 | 0 | 0 | 115.2 | S1515 D1519 | S1515-L1521 WeakPolarHBondContact OG-CD2 3.42Å; D1519-L1521 VanDerWaalsContact C-N 3.34Å; D1519-L1521 PolarHBondContact O-N 2.94Å |
| 1522 | H | 43.2 | Very low | 44.2 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 46% | 0.458 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.5 | 40.7 | -153.5 | -124.6 | -64.6 | 0 | 0 | 0 | 121.2 | S1520 L1525 | S1520-H1522 PolarHBondContact O-N 2.89Å; H1522-L1525 WeakPolarHBondContact CE1-CB 3.24Å |
| 1523 | P | 41.3 | Very low | 43.3 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 66% | 0.656 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -47 | 148 | -15.5 | 31.8 | 0 | 0 | 0 | 113.1 | R1526 | P1523-R1526 PolarHBondContact O-N 3.39Š|
| 1524 | A | 35.8 | Very low | 42.2 | Very low | 75 Ų | 75 | 118.9 Ų | 118.9 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -68.9 | -40.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1526 Q1527 | A1524-R1526 PolarHBondContact O-N 2.95Å; A1524-Q1527 PolarHBondContact O-N 2.88Å; A1524-Q1527 VanDerWaalsContact O-N 3.1Å |
| 1525 | L | 38.4 | Very low | 41.6 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -64.3 | -5.9 | 176 | -72.3 | 171 | 0 | 0 | 0 | 114.2 | H1522 | H1522-L1525 WeakPolarHBondContact CE1-CB 3.24Š|
| 1526 | R | 41.8 | Very low | 41.8 | Very low | 193 Ų | 193 | 118.8 Ų | 118.8 | 73% | 0.728 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -89.5 | -4 | 172.8 | -61.4 | -170.3 | -180 | -136.3 | -2.4 | 114.2 | P1523 A1524 | P1523-R1526 PolarHBondContact O-N 3.39Å; A1524-R1526 PolarHBondContact O-N 2.95Å |
| 1527 | Q | 43.5 | Very low | 42.1 | Very low | 179 Ų | 179 | 114.3 Ų | 114.3 | 84% | 0.836 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | -8.3 | -169.1 | -64.9 | -170.2 | -6.7 | 0 | 0 | 116.3 | A1524 | A1524-Q1527 PolarHBondContact O-N 2.88Å; A1524-Q1527 VanDerWaalsContact O-N 3.1Å |
| 1528 | S | 29.6 | Very low | 42.1 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -99.6 | 147.1 | 175.7 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | Y1530 | S1528-Y1530 PolarHBondContact O-N 3.28Š|
| 1529 | R | 33.6 | Very low | 42.7 | Very low | 252 Ų | 252 | 112.5 Ų | 112.5 | 95% | 0.951 | 58% | 0.582 | S | S | * | * | trans | -82.2 | 92.8 | -175.9 | -66.7 | -179.5 | 179.6 | -178.6 | -2 | 111.2 | ||||
| 1530 | Y | 33.7 | Very low | 43.5 | Very low | 170 Ų | 170 | 109.9 Ų | 109.9 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | trans | -127.6 | 136 | 168.9 | -68.5 | -77.2 | 0 | 0 | 0 | 110.8 | S1528 T1532 | S1528-Y1530 PolarHBondContact O-N 3.28Å; Y1530-T1532 PolarHBondContact O-N 2.68Å | ||
| 1531 | P | 33.8 | Very low | 44 | Very low | 133 Ų | 133 | 108.3 Ų | 108.3 | 86% | 0.864 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -84.8 | 47.3 | -168.8 | 36.4 | -38.1 | 0 | 0 | 0 | 113.5 | ||
| 1532 | T | 33.1 | Very low | 44.9 | Very low | 127 Ų | 127 | 110.3 Ų | 110.3 | 78% | 0.779 | 57% | 0.568 | S | S | * | * | trans | -141 | 74 | 176.1 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | Y1530 | Y1530-T1532 PolarHBondContact O-N 2.68Š| ||
| 1533 | S | 37.8 | Very low | 46.2 | Very low | 100 Ų | 100 | 110.7 Ų | 110.7 | 70% | 0.699 | 57% | 0.57 | S | S | * | * | trans | -149.7 | 138.3 | 168.2 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1534 | V | 40.8 | Very low | 47.7 | Very low | 85 Ų | 85 | 112 Ų | 112 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | trans | -53.6 | 123.4 | 164.6 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | D1538 | V1534-D1538 HydrophobicContact CG1-CB 3.48Å; V1534-D1538 VanDerWaalsContact CG1-CB 3.48Å | ||
| 1535 | P | 47.8 | Very low | 49.4 | Very low | 49 Ų | 49 | 113.6 Ų | 113.6 | 32% | 0.318 | 57% | 0.565 | S | S | . | * | trans | -54.9 | 151.5 | 178.5 | -22.6 | 27.9 | 0 | 0 | 0 | 112.2 | R1537 D1538 Y1539 | P1535-R1537 HydrophobicContact CB-CB 4.5Å; P1535-R1537 PolarHBondContact O-N 3.45Å; P1535-R1537 VanDerWaalsContact O-N 3.07Å; P1535-D1538 VanDerWaalsContact CB-OD1 3.28Å; P1535-D1538 WeakPolarHBondContact CB-OD1 3.25Å; P1535-D1538 WeakPolarHBondContact CD-OD2 3.39Å; P1535-D1538 VanDerWaalsContact CG-OD1 3.32Å; P1535-D1538 WeakPolarHBondContact CG-OD1 3.32Å; P1535-D1538 PolarHBondContact O-N 3.13Å; P1535-D1538 VanDerWaalsContact O-N 3.09Å; P1535-Y1539 PolarHBondContact O-N 3.04Å | ||
| 1536 | I | 52.1 | Low | 50.9 | Low | 135 Ų | 135 | 112 Ų | 112 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56.4 | -28.7 | 176.5 | -69.1 | 169.8 | 0 | 0 | 0 | 111.3 | E1540 | I1536-E1540 HydrophobicContact CG2-CG 4.36Å; I1536-E1540 WeakPolarHBondContact O-CB 3.36Å; I1536-E1540 VanDerWaalsContact O-CG 3.23Å; I1536-E1540 WeakPolarHBondContact O-CG 3.48Å; I1536-E1540 PolarHBondContact O-N 3.05Å |
| 1537 | R | 53.7 | Low | 52.5 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.7 | -58.7 | 172.9 | -60.8 | -176.8 | -174.7 | -172.4 | 47.1 | 111.9 | S177 K178 D181 P1535 Y1539 E1540 A1541 | S177-R1537 VanDerWaalsContact C-NH1 3.3Å; S177-R1537 PolarHBondContact O-NH1 2.76Å; S177-R1537 PolarHBondContact OG-NH1 2.83Å; K178-R1537 HydrophobicContact CD-CB 3.94Å; K178-R1537 HydrophobicContact CD-CG 3.82Å; K178-R1537 HydrophobicContact CG-CB 4.48Å; K178-R1537 HydrophobicContact CG-CG 4.08Å; K178-R1537 VanDerWaalsContact N-NH1 3.17Å; D181-R1537 IonicContact OD2-CZ 3.75Å; D181-R1537 IonicContact OD2-NH1 2.72Å; D181-R1537 PolarHBondContact OD2-NH1 2.95Å; D181-R1537 IonicContact OD2-NH2 3.65Å; D181-R1537 PolarHBondContact OD2-NH2 2.79Å; P1535-R1537 HydrophobicContact CB-CB 4.5Å; P1535-R1537 PolarHBondContact O-N 3.45Å; P1535-R1537 VanDerWaalsContact O-N 3.07Å; R1537-Y1539 VanDerWaalsContact C-N 3.26Å; R1537-Y1539 PolarHBondContact O-N 3.46Å; R1537-E1540 WeakPolarHBondContact O-CB 3.31Å; R1537-E1540 PolarHBondContact O-N 2.86Å; R1537-E1540 VanDerWaalsContact O-N 3.16Å; R1537-A1541 WeakPolarHBondContact O-CB 3.47Å; R1537-A1541 PolarHBondContact O-N 3.21Å |
| 1538 | D | 50.9 | Low | 54.1 | Low | 25 Ų | 25 | 101.4 Ų | 101.4 | 13% | 0.134 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -59.9 | -35.4 | 179.1 | -50.7 | 38.4 | 0 | 0 | 0 | 111.4 | K185 V1534 P1535 A1541 L1542 | K185-D1538 IonicContact NZ-OD2 2.72Å; K185-D1538 PolarHBondContact NZ-OD2 2.86Å; V1534-D1538 HydrophobicContact CG1-CB 3.48Å; V1534-D1538 VanDerWaalsContact CG1-CB 3.48Å; P1535-D1538 VanDerWaalsContact CB-OD1 3.28Å; P1535-D1538 WeakPolarHBondContact CB-OD1 3.25Å; P1535-D1538 WeakPolarHBondContact CD-OD2 3.39Å; P1535-D1538 VanDerWaalsContact CG-OD1 3.32Å; P1535-D1538 WeakPolarHBondContact CG-OD1 3.32Å; P1535-D1538 PolarHBondContact O-N 3.13Å; P1535-D1538 VanDerWaalsContact O-N 3.09Å; D1538-A1541 PolarHBondContact O-N 2.66Å; D1538-L1542 WeakPolarHBondContact O-CB 3.14Å; D1538-L1542 PolarHBondContact O-N 3.27Å |
| 1539 | Y | 58.2 | Low | 56.2 | Low | 131 Ų | 131 | 100.6 Ų | 100.6 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 174.6 | -172.1 | -83.8 | 0 | 0 | 0 | 112.4 | P1535 R1537 A1541 L1542 Q1543 | P1535-Y1539 PolarHBondContact O-N 3.04Å; R1537-Y1539 VanDerWaalsContact C-N 3.26Å; R1537-Y1539 PolarHBondContact O-N 3.46Å; Y1539-A1541 VanDerWaalsContact C-N 3.31Å; Y1539-A1541 PolarHBondContact O-N 2.96Å; Y1539-L1542 PolarHBondContact O-N 2.95Å; Y1539-Q1543 HydrophobicContact CD1-CG 4.32Å; Y1539-Q1543 HydrophobicContact CE1-CG 3.99Å; Y1539-Q1543 PolarHBondContact O-N 3.17Å |
| 1540 | E | 64.5 | Low | 58.3 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 171.2 | -74 | 168.7 | 167.8 | 0 | 0 | 111.5 | K178 I1536 R1537 Q1543 L1544 | K178-E1540 IonicContact NZ-OE2 2.6Å; K178-E1540 PolarHBondContact NZ-OE2 2.87Å; I1536-E1540 HydrophobicContact CG2-CG 4.36Å; I1536-E1540 WeakPolarHBondContact O-CB 3.36Å; I1536-E1540 VanDerWaalsContact O-CG 3.23Å; I1536-E1540 WeakPolarHBondContact O-CG 3.48Å; I1536-E1540 PolarHBondContact O-N 3.05Å; R1537-E1540 WeakPolarHBondContact O-CB 3.31Å; R1537-E1540 PolarHBondContact O-N 2.86Å; R1537-E1540 VanDerWaalsContact O-N 3.16Å; E1540-Q1543 PolarHBondContact O-N 3.13Å; E1540-L1544 PolarHBondContact O-N 2.85Å |
| 1541 | A | 65.1 | Low | 60.4 | Low | 41 Ų | 41 | 89.1 Ų | 89.1 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1537 D1538 Y1539 Q1543 L1544 H1545 | R1537-A1541 WeakPolarHBondContact O-CB 3.47Å; R1537-A1541 PolarHBondContact O-N 3.21Å; D1538-A1541 PolarHBondContact O-N 2.66Å; Y1539-A1541 VanDerWaalsContact C-N 3.31Å; Y1539-A1541 PolarHBondContact O-N 2.96Å; A1541-Q1543 VanDerWaalsContact C-N 3.33Å; A1541-Q1543 PolarHBondContact O-N 3.04Å; A1541-L1544 PolarHBondContact O-N 2.9Å; A1541-H1545 WeakPolarHBondContact O-CB 3.1Å; A1541-H1545 PolarHBondContact O-N 3.45Å |
| 1542 | L | 63.9 | Low | 62.5 | Low | 94 Ų | 94 | 87.7 Ų | 87.7 | 49% | 0.492 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 172.2 | -85.7 | 161.1 | 0 | 0 | 0 | 112.3 | D1538 Y1539 N1546 | D1538-L1542 WeakPolarHBondContact O-CB 3.14Å; D1538-L1542 PolarHBondContact O-N 3.27Å; Y1539-L1542 PolarHBondContact O-N 2.95Å; L1542-N1546 WeakPolarHBondContact O-CB 3.15Å; L1542-N1546 PolarHBondContact O-N 3.02Å; L1542-N1546 PolarHBondContact O-ND2 2.73Å |
| 1543 | Q | 70.2 | Confident | 64.6 | Low | 107 Ų | 107 | 84.7 Ų | 84.7 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 172.4 | -73.9 | -163.8 | -49.8 | 0 | 0 | 112.3 | Y1539 E1540 A1541 T1547 | Y1539-Q1543 HydrophobicContact CD1-CG 4.32Å; Y1539-Q1543 HydrophobicContact CE1-CG 3.99Å; Y1539-Q1543 PolarHBondContact O-N 3.17Å; E1540-Q1543 PolarHBondContact O-N 3.13Å; A1541-Q1543 VanDerWaalsContact C-N 3.33Å; A1541-Q1543 PolarHBondContact O-N 3.04Å; Q1543-T1547 WeakPolarHBondContact O-CB 3.45Å; Q1543-T1547 PolarHBondContact O-N 3.06Å; Q1543-T1547 PolarHBondContact O-OG1 2.71Å |
| 1544 | L | 72.7 | Confident | 66.4 | Low | 127 Ų | 127 | 86.6 Ų | 86.6 | 67% | 0.665 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 175.6 | -97.3 | 159.1 | 0 | 0 | 0 | 112.3 | E1540 A1541 T1547 D1548 | E1540-L1544 PolarHBondContact O-N 2.85Å; A1541-L1544 PolarHBondContact O-N 2.9Å; L1544-T1547 WeakPolarHBondContact O-CB 3.17Å; L1544-T1547 PolarHBondContact O-N 3.07Å; L1544-D1548 PolarHBondContact O-N 3.43Å |
| 1545 | H | 73 | Confident | 68.1 | Low | 110 Ų | 110 | 87.8 Ų | 87.8 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 178.2 | -175.3 | 35.2 | 0 | 0 | 0 | 112.3 | A1541 T1547 D1548 L1549 | A1541-H1545 WeakPolarHBondContact O-CB 3.1Å; A1541-H1545 PolarHBondContact O-N 3.45Å; H1545-T1547 VanDerWaalsContact C-N 3.3Å; H1545-T1547 PolarHBondContact O-N 2.87Å; H1545-D1548 PolarHBondContact O-N 3.34Å; H1545-L1549 WeakPolarHBondContact O-CB 3.49Å; H1545-L1549 PolarHBondContact O-N 2.87Å |
| 1546 | N | 69.7 | Low | 69.4 | Low | 64 Ų | 64 | 89.9 Ų | 89.9 | 34% | 0.342 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 171.9 | -80.5 | -78.7 | 0 | 0 | 0 | 112.1 | L1542 Q1550 | L1542-N1546 WeakPolarHBondContact O-CB 3.15Å; L1542-N1546 PolarHBondContact O-N 3.02Å; L1542-N1546 PolarHBondContact O-ND2 2.73Å; N1546-Q1550 WeakPolarHBondContact O-CB 3.41Å; N1546-Q1550 WeakPolarHBondContact O-CG 3.26Å; N1546-Q1550 PolarHBondContact O-N 2.95Å |
| 1547 | T | 75 | Confident | 70.5 | Confident | 73 Ų | 73 | 87 Ų | 87 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.4 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | Q1543 L1544 H1545 Q1550 N1551 | Q1543-T1547 WeakPolarHBondContact O-CB 3.45Å; Q1543-T1547 PolarHBondContact O-N 3.06Å; Q1543-T1547 PolarHBondContact O-OG1 2.71Å; L1544-T1547 WeakPolarHBondContact O-CB 3.17Å; L1544-T1547 PolarHBondContact O-N 3.07Å; H1545-T1547 VanDerWaalsContact C-N 3.3Å; H1545-T1547 PolarHBondContact O-N 2.87Å; T1547-Q1550 PolarHBondContact O-N 3.17Å; T1547-N1551 PolarHBondContact O-N 3.25Å; T1547-N1551 PolarHBondContact O-ND2 2.8Å |
| 1548 | D | 77.1 | Confident | 71.5 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 177.1 | -162.7 | 65 | 0 | 0 | 0 | 112.3 | L1544 H1545 Q1550 N1551 Q1552 | L1544-D1548 PolarHBondContact O-N 3.43Å; H1545-D1548 PolarHBondContact O-N 3.34Å; D1548-Q1550 VanDerWaalsContact C-N 3.3Å; D1548-Q1550 PolarHBondContact O-N 2.92Å; D1548-N1551 WeakPolarHBondContact O-CB 3.26Å; D1548-N1551 PolarHBondContact O-N 3.31Å; D1548-N1551 VanDerWaalsContact O-N 3.13Å; D1548-Q1552 WeakPolarHBondContact O-CG 3.2Å; D1548-Q1552 PolarHBondContact O-N 3.01Å; D1548-Q1552 PolarHBondContact OD2-NE2 2.93Å |
| 1549 | L | 74.2 | Confident | 72.6 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57 | -42.1 | 170.7 | -83 | 163.2 | 0 | 0 | 0 | 112 | H1545 Q1552 L1553 | H1545-L1549 WeakPolarHBondContact O-CB 3.49Å; H1545-L1549 PolarHBondContact O-N 2.87Å; L1549-Q1552 PolarHBondContact O-N 3.42Å; L1549-L1553 WeakPolarHBondContact O-CB 3.45Å; L1549-L1553 PolarHBondContact O-N 3.3Å |
| 1550 | Q | 76.5 | Confident | 73.5 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67 | -36.1 | 174.8 | -78.7 | -172.1 | -13 | 0 | 0 | 113.1 | E825 N1546 T1547 D1548 L1553 Q1554 | E825-Q1550 WeakPolarHBondContact OE1-CG 3.41Å; E825-Q1550 PolarHBondContact OE1-NE2 3.45Å; N1546-Q1550 WeakPolarHBondContact O-CB 3.41Å; N1546-Q1550 WeakPolarHBondContact O-CG 3.26Å; N1546-Q1550 PolarHBondContact O-N 2.95Å; T1547-Q1550 PolarHBondContact O-N 3.17Å; D1548-Q1550 VanDerWaalsContact C-N 3.3Å; D1548-Q1550 PolarHBondContact O-N 2.92Å; Q1550-L1553 PolarHBondContact O-N 2.96Å; Q1550-Q1554 WeakPolarHBondContact O-CB 3.4Å; Q1550-Q1554 WeakPolarHBondContact O-CG 3.38Å; Q1550-Q1554 PolarHBondContact O-N 3.29Å |
| 1551 | N | 78 | Confident | 73.9 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 172.3 | -67.1 | -30.5 | 0 | 0 | 0 | 111.5 | T1547 D1548 Q1554 Q1555 | T1547-N1551 PolarHBondContact O-N 3.25Å; T1547-N1551 PolarHBondContact O-ND2 2.8Å; D1548-N1551 WeakPolarHBondContact O-CB 3.26Å; D1548-N1551 PolarHBondContact O-N 3.31Å; D1548-N1551 VanDerWaalsContact O-N 3.13Å; N1551-Q1554 PolarHBondContact O-N 3.3Å; N1551-Q1555 WeakPolarHBondContact O-CB 3.42Å; N1551-Q1555 PolarHBondContact O-N 3.3Å |
| 1552 | Q | 79.2 | Confident | 74.1 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 49% | 0.486 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.6 | -68.4 | -177.9 | 37 | 0 | 0 | 111.7 | D1548 L1549 Q1555 L1556 | D1548-Q1552 WeakPolarHBondContact O-CG 3.2Å; D1548-Q1552 PolarHBondContact O-N 3.01Å; D1548-Q1552 PolarHBondContact OD2-NE2 2.93Å; L1549-Q1552 PolarHBondContact O-N 3.42Å; Q1552-Q1555 PolarHBondContact O-N 2.98Å; Q1552-L1556 WeakPolarHBondContact O-CB 3.48Å; Q1552-L1556 PolarHBondContact O-N 3.01Å |
| 1553 | L | 75.5 | Confident | 74.2 | Confident | 64 Ų | 64 | 90 Ų | 90 | 34% | 0.335 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 173.1 | -94.2 | 160.1 | 0 | 0 | 0 | 112.5 | E825 L1549 Q1550 S1557 | E825-L1553 HydrophobicContact CG-CD1 3.93Å; L1549-L1553 WeakPolarHBondContact O-CB 3.45Å; L1549-L1553 PolarHBondContact O-N 3.3Å; Q1550-L1553 PolarHBondContact O-N 2.96Å; L1553-S1557 VanDerWaalsContact O-CB 3.29Å; L1553-S1557 WeakPolarHBondContact O-CB 3.3Å; L1553-S1557 PolarHBondContact O-N 2.69Å |
| 1554 | Q | 77.4 | Confident | 74.1 | Confident | 140 Ų | 140 | 92.6 Ų | 92.6 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 173.8 | -78.1 | -171.6 | 3.7 | 0 | 0 | 112.1 | Q1550 N1551 S1557 A1558 | Q1550-Q1554 WeakPolarHBondContact O-CB 3.4Å; Q1550-Q1554 WeakPolarHBondContact O-CG 3.38Å; Q1550-Q1554 PolarHBondContact O-N 3.29Å; N1551-Q1554 PolarHBondContact O-N 3.3Å; Q1554-S1557 PolarHBondContact O-N 3.42Å; Q1554-A1558 WeakPolarHBondContact O-CB 3.28Å; Q1554-A1558 PolarHBondContact O-N 2.85Å |
| 1555 | Q | 76.7 | Confident | 73.8 | Confident | 109 Ų | 109 | 89.8 Ų | 89.8 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -48.5 | 176.3 | -177.6 | 56.5 | 48.4 | 0 | 0 | 111.2 | N1551 Q1552 S1557 A1558 D1559 | N1551-Q1555 WeakPolarHBondContact O-CB 3.42Å; N1551-Q1555 PolarHBondContact O-N 3.3Å; Q1552-Q1555 PolarHBondContact O-N 2.98Å; Q1555-S1557 VanDerWaalsContact C-N 3.32Å; Q1555-S1557 PolarHBondContact O-N 3.44Å; Q1555-A1558 PolarHBondContact O-N 2.87Å; Q1555-A1558 VanDerWaalsContact O-N 3.13Å; Q1555-D1559 PolarHBondContact NE2-OD1 2.89Å; Q1555-D1559 VanDerWaalsContact NE2-OD1 3.15Å; Q1555-D1559 PolarHBondContact NE2-OD2 2.89Å; Q1555-D1559 PolarHBondContact O-N 2.67Å |
| 1556 | L | 75 | Confident | 73.4 | Confident | 93 Ų | 93 | 91.9 Ų | 91.9 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 173.9 | -83.3 | 161.9 | 0 | 0 | 0 | 112 | Q1552 D1559 F1560 | Q1552-L1556 WeakPolarHBondContact O-CB 3.48Å; Q1552-L1556 PolarHBondContact O-N 3.01Å; L1556-D1559 PolarHBondContact O-N 3.37Å; L1556-F1560 HydrophobicContact CD2-CE2 4.42Å; L1556-F1560 WeakPolarHBondContact O-CD2 3.33Å; L1556-F1560 PolarHBondContact O-N 3.46Å |
| 1557 | S | 74.9 | Confident | 72.2 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | L1553 Q1554 Q1555 E1561 | L1553-S1557 VanDerWaalsContact O-CB 3.29Å; L1553-S1557 WeakPolarHBondContact O-CB 3.3Å; L1553-S1557 PolarHBondContact O-N 2.69Å; Q1554-S1557 PolarHBondContact O-N 3.42Å; Q1555-S1557 VanDerWaalsContact C-N 3.32Å; Q1555-S1557 PolarHBondContact O-N 3.44Å; S1557-E1561 WeakPolarHBondContact O-CB 3.43Å; S1557-E1561 PolarHBondContact O-N 3.36Å |
| 1558 | A | 74.5 | Confident | 71.4 | Confident | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1554 Q1555 E1561 A1562 | Q1554-A1558 WeakPolarHBondContact O-CB 3.28Å; Q1554-A1558 PolarHBondContact O-N 2.85Å; Q1555-A1558 PolarHBondContact O-N 2.87Å; Q1555-A1558 VanDerWaalsContact O-N 3.13Å; A1558-E1561 PolarHBondContact O-N 2.81Å; A1558-A1562 VanDerWaalsContact O-CB 3.24Å; A1558-A1562 WeakPolarHBondContact O-CB 3.34Å; A1558-A1562 PolarHBondContact O-N 3.06Å |
| 1559 | D | 73.3 | Confident | 70.2 | Confident | 87 Ų | 87 | 91.7 Ų | 91.7 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 175.8 | -72.6 | -37.4 | 0 | 0 | 0 | 111.7 | Q1555 L1556 A1562 L1563 | Q1555-D1559 PolarHBondContact NE2-OD1 2.89Å; Q1555-D1559 VanDerWaalsContact NE2-OD1 3.15Å; Q1555-D1559 PolarHBondContact NE2-OD2 2.89Å; Q1555-D1559 PolarHBondContact O-N 2.67Å; L1556-D1559 PolarHBondContact O-N 3.37Å; D1559-A1562 PolarHBondContact O-N 2.87Å; D1559-L1563 VanDerWaalsContact O-CB 3.31Å; D1559-L1563 WeakPolarHBondContact O-CB 3.27Å; D1559-L1563 PolarHBondContact O-N 3.42Å |
| 1560 | F | 76.4 | Confident | 68.6 | Low | 141 Ų | 141 | 92.8 Ų | 92.8 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 170.8 | -78 | -58.1 | 0 | 0 | 0 | 112.4 | L1556 A1562 L1563 R1564 | L1556-F1560 HydrophobicContact CD2-CE2 4.42Å; L1556-F1560 WeakPolarHBondContact O-CD2 3.33Å; L1556-F1560 PolarHBondContact O-N 3.46Å; F1560-A1562 VanDerWaalsContact C-N 3.31Å; F1560-A1562 PolarHBondContact O-N 2.75Å; F1560-L1563 PolarHBondContact O-N 3.28Å; F1560-R1564 WeakPolarHBondContact O-CB 3.45Å; F1560-R1564 PolarHBondContact O-N 3.06Å |
| 1561 | E | 74.3 | Confident | 66.7 | Low | 92 Ų | 92 | 92.6 Ų | 92.6 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -33.1 | 176.2 | -158.4 | 75.2 | -95.6 | 0 | 0 | 111.4 | S1557 A1558 R1564 S1565 | S1557-E1561 WeakPolarHBondContact O-CB 3.43Å; S1557-E1561 PolarHBondContact O-N 3.36Å; A1558-E1561 PolarHBondContact O-N 2.81Å; E1561-R1564 WeakPolarHBondContact OE1-CD 3.31Å; E1561-R1564 IonicContact OE1-CZ 2.72Å; E1561-R1564 IonicContact OE1-NE 2.77Å; E1561-R1564 IonicContact OE1-NH1 2.65Å; E1561-R1564 PolarHBondContact OE1-NH1 3.07Å; E1561-R1564 IonicContact OE2-NH1 3.57Å; E1561-S1565 WeakPolarHBondContact O-CB 3.08Å; E1561-S1565 PolarHBondContact O-N 2.92Å; E1561-S1565 PolarHBondContact O-OG 3.23Å |
| 1562 | A | 69.7 | Low | 64.8 | Low | 48 Ų | 48 | 91.1 Ų | 91.1 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.6 | -39.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1558 D1559 F1560 S1565 K1566 | A1558-A1562 VanDerWaalsContact O-CB 3.24Å; A1558-A1562 WeakPolarHBondContact O-CB 3.34Å; A1558-A1562 PolarHBondContact O-N 3.06Å; D1559-A1562 PolarHBondContact O-N 2.87Å; F1560-A1562 VanDerWaalsContact C-N 3.31Å; F1560-A1562 PolarHBondContact O-N 2.75Å; A1562-S1565 PolarHBondContact O-N 3.05Å; A1562-K1566 WeakPolarHBondContact O-CG 3.05Å; A1562-K1566 PolarHBondContact O-N 2.97Å |
| 1563 | L | 65.8 | Low | 62.8 | Low | 105 Ų | 105 | 91 Ų | 91 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 174.4 | -156.3 | 79.1 | 0 | 0 | 0 | 110.7 | D1559 F1560 S1565 K1566 C1567 | D1559-L1563 VanDerWaalsContact O-CB 3.31Å; D1559-L1563 WeakPolarHBondContact O-CB 3.27Å; D1559-L1563 PolarHBondContact O-N 3.42Å; F1560-L1563 PolarHBondContact O-N 3.28Å; L1563-S1565 VanDerWaalsContact C-N 3.35Å; L1563-K1566 PolarHBondContact O-N 3.29Å; L1563-C1567 PolarHBondContact O-N 3.44Å; L1563-C1567 PolarHBondContact O-SG 3.04Å |
| 1564 | R | 68.4 | Low | 60.8 | Low | 160 Ų | 160 | 92 Ų | 92 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 172.2 | -177.2 | 177.8 | 175.6 | -147.7 | 10 | 111.4 | F1560 E1561 C1567 T1568 | F1560-R1564 WeakPolarHBondContact O-CB 3.45Å; F1560-R1564 PolarHBondContact O-N 3.06Å; E1561-R1564 WeakPolarHBondContact OE1-CD 3.31Å; E1561-R1564 IonicContact OE1-CZ 2.72Å; E1561-R1564 IonicContact OE1-NE 2.77Å; E1561-R1564 IonicContact OE1-NH1 2.65Å; E1561-R1564 PolarHBondContact OE1-NH1 3.07Å; E1561-R1564 IonicContact OE2-NH1 3.57Å; R1564-C1567 PolarHBondContact O-N 3.15Å; R1564-T1568 WeakPolarHBondContact O-CB 3.34Å; R1564-T1568 PolarHBondContact O-N 3.2Å; R1564-T1568 PolarHBondContact O-OG1 3.36Å |
| 1565 | S | 65.8 | Low | 58.7 | Low | 68 Ų | 68 | 88.5 Ų | 88.5 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 174.3 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | E1561 A1562 L1563 A1569 | E1561-S1565 WeakPolarHBondContact O-CB 3.08Å; E1561-S1565 PolarHBondContact O-N 2.92Å; E1561-S1565 PolarHBondContact O-OG 3.23Å; A1562-S1565 PolarHBondContact O-N 3.05Å; L1563-S1565 VanDerWaalsContact C-N 3.35Å; S1565-A1569 WeakPolarHBondContact O-CB 3.32Å; S1565-A1569 PolarHBondContact O-N 3.5Å |
| 1566 | K | 64.9 | Low | 56.8 | Low | 155 Ų | 155 | 89.9 Ų | 89.9 | 67% | 0.674 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.5 | -46.3 | 171.5 | -81.6 | 175.9 | 176 | 172.3 | 0 | 112 | A1562 L1563 A1569 A1570 | A1562-K1566 WeakPolarHBondContact O-CG 3.05Å; A1562-K1566 PolarHBondContact O-N 2.97Å; L1563-K1566 PolarHBondContact O-N 3.29Å; K1566-A1569 PolarHBondContact O-N 3.4Å; K1566-A1570 WeakPolarHBondContact O-CB 3.38Å; K1566-A1570 PolarHBondContact O-N 2.92Å |
| 1567 | C | 44.8 | Very low | 54.7 | Low | 75 Ų | 75 | 94.1 Ų | 94.1 | 51% | 0.507 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.2 | -43.5 | 176 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | L1563 R1564 A1569 A1570 C1571 | L1563-C1567 PolarHBondContact O-N 3.44Å; L1563-C1567 PolarHBondContact O-SG 3.04Å; R1564-C1567 PolarHBondContact O-N 3.15Å; C1567-A1569 VanDerWaalsContact C-N 3.34Å; C1567-A1569 PolarHBondContact O-N 3.28Å; C1567-A1570 PolarHBondContact O-N 3.45Å; C1567-C1571 WeakPolarHBondContact O-CB 3.34Å; C1567-C1571 PolarHBondContact O-N 3.33Å; C1567-C1571 PolarHBondContact O-SG 3.24Å; C1567-C1571 VanDerWaalsContact O-SG 3.37Å |
| 1568 | T | 58.1 | Low | 52.8 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 47% | 0.466 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -37.2 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | R1564 C1571 S1572 | R1564-T1568 WeakPolarHBondContact O-CB 3.34Å; R1564-T1568 PolarHBondContact O-N 3.2Å; R1564-T1568 PolarHBondContact O-OG1 3.36Å; T1568-C1571 PolarHBondContact O-N 2.92Å; T1568-S1572 WeakPolarHBondContact O-CA 3.05Å; T1568-S1572 WeakPolarHBondContact O-CB 2.97Å; T1568-S1572 PolarHBondContact O-N 2.92Å; T1568-S1572 PolarHBondContact O-OG 3.5Å |
| 1569 | A | 50.7 | Low | 50.8 | Low | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1565 K1566 C1567 C1571 S1572 S1573 | S1565-A1569 WeakPolarHBondContact O-CB 3.32Å; S1565-A1569 PolarHBondContact O-N 3.5Å; K1566-A1569 PolarHBondContact O-N 3.4Å; C1567-A1569 VanDerWaalsContact C-N 3.34Å; C1567-A1569 PolarHBondContact O-N 3.28Å; A1569-C1571 VanDerWaalsContact C-N 3.28Å; A1569-C1571 PolarHBondContact O-N 3.43Å; A1569-S1572 PolarHBondContact O-N 3.27Å; A1569-S1573 PolarHBondContact O-N 2.78Å; A1569-S1573 PolarHBondContact O-OG 3.42Å |
| 1570 | A | 41.5 | Very low | 48.8 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 56% | 0.562 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -30.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1566 C1567 S1573 | K1566-A1570 WeakPolarHBondContact O-CB 3.38Å; K1566-A1570 PolarHBondContact O-N 2.92Å; C1567-A1570 PolarHBondContact O-N 3.45Å; A1570-S1573 PolarHBondContact O-OG 3.37Å |
| 1571 | C | 36.3 | Very low | 46.6 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -85.1 | -27.4 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | C1567 T1568 A1569 A1574 S1575 | C1567-C1571 WeakPolarHBondContact O-CB 3.34Å; C1567-C1571 PolarHBondContact O-N 3.33Å; C1567-C1571 PolarHBondContact O-SG 3.24Å; C1567-C1571 VanDerWaalsContact O-SG 3.37Å; T1568-C1571 PolarHBondContact O-N 2.92Å; A1569-C1571 VanDerWaalsContact C-N 3.28Å; A1569-C1571 PolarHBondContact O-N 3.43Å; C1571-A1574 WeakPolarHBondContact O-CB 3.35Å; C1571-A1574 PolarHBondContact O-N 2.73Å; C1571-A1574 VanDerWaalsContact O-N 3.13Å; C1571-S1575 PolarHBondContact O-N 2.8Å |
| 1572 | S | 38.8 | Very low | 44.6 | Very low | 56 Ų | 56 | 105.2 Ų | 105.2 | 39% | 0.392 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80.5 | -23.7 | -179.2 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | T1568 A1569 A1574 S1575 | T1568-S1572 WeakPolarHBondContact O-CA 3.05Å; T1568-S1572 WeakPolarHBondContact O-CB 2.97Å; T1568-S1572 PolarHBondContact O-N 2.92Å; T1568-S1572 PolarHBondContact O-OG 3.5Å; A1569-S1572 PolarHBondContact O-N 3.27Å; S1572-A1574 PolarHBondContact O-N 3.31Å; S1572-S1575 WeakPolarHBondContact CA-OG 3.41Å; S1572-S1575 PolarHBondContact O-N 3.38Å; S1572-S1575 PolarHBondContact O-OG 3.31Å; S1572-S1575 VanDerWaalsContact O-OG 3.06Å |
| 1573 | S | 37.1 | Very low | 42.8 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -15 | 163.2 | 44.8 | 0 | 0 | 0 | 0 | 112.9 | A1569 A1570 | A1569-S1573 PolarHBondContact O-N 2.78Å; A1569-S1573 PolarHBondContact O-OG 3.42Å; A1570-S1573 PolarHBondContact O-OG 3.37Å |
| 1574 | A | 32.7 | Very low | 41.1 | Very low | 85 Ų | 85 | 110.1 Ų | 110.1 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -0.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1571 S1572 | C1571-A1574 WeakPolarHBondContact O-CB 3.35Å; C1571-A1574 PolarHBondContact O-N 2.73Å; C1571-A1574 VanDerWaalsContact O-N 3.13Å; S1572-A1574 PolarHBondContact O-N 3.31Å |
| 1575 | S | 34 | Very low | 39.3 | Very low | 67 Ų | 67 | 109.2 Ų | 109.2 | 47% | 0.469 | 64% | 0.643 | S | S | . | * | trans | -99.8 | 1.4 | -171.7 | 76.6 | 0 | 0 | 0 | 0 | 115.4 | C1571 S1572 K1577 | C1571-S1575 PolarHBondContact O-N 2.8Å; S1572-S1575 WeakPolarHBondContact CA-OG 3.41Å; S1572-S1575 PolarHBondContact O-N 3.38Å; S1572-S1575 PolarHBondContact O-OG 3.31Å; S1572-S1575 VanDerWaalsContact O-OG 3.06Å; S1575-K1577 PolarHBondContact O-N 3.49Å | ||
| 1576 | N | 35.7 | Very low | 37.7 | Very low | 139 Ų | 139 | 112.2 Ų | 112.2 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -80.6 | 64.7 | -177.8 | -141.5 | 3.4 | 0 | 0 | 0 | 112.2 | N1578 | N1576-N1578 PolarHBondContact O-N 2.89Š| ||
| 1577 | K | 32.2 | Very low | 36.1 | Very low | 182 Ų | 182 | 113 Ų | 113 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 82.4 | -178.4 | -63.1 | 172.3 | -175.9 | 174.1 | 0 | 110.9 | S1575 | S1575-K1577 PolarHBondContact O-N 3.49Š|
| 1578 | N | 34.5 | Very low | 35.4 | Very low | 160 Ų | 160 | 116 Ų | 116 | 86% | 0.856 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.7 | 3.2 | 153.3 | -93.5 | -19.3 | 0 | 0 | 0 | 116 | N1576 | N1576-N1578 PolarHBondContact O-N 2.89Š|
| 1579 | S | 32.5 | Very low | 34.2 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -130.6 | 25 | -175 | 71 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1580 | L | 30.6 | Very low | 33.1 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | trans | -134.3 | 22.4 | 172 | -100.9 | 167.9 | 0 | 0 | 0 | 112.6 | E1582 | L1580-E1582 PolarHBondContact O-N 3.03Š| ||
| 1581 | S | 30.6 | Very low | 32.6 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 22 | -178.9 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1582 | E | 31.5 | Very low | 32.2 | Very low | 192 Ų | 192 | 125.8 Ų | 125.8 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 11 | -174.7 | -159.1 | 160.7 | -144.3 | 0 | 0 | 113 | L1580 | L1580-E1582 PolarHBondContact O-N 3.03Š|
| 1583 | S | 33.3 | Very low | 32 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | -17.5 | 173.9 | -157 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1584 | L | 28.5 | Very low | 31.6 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -142.8 | 85.2 | 164.8 | -93.2 | 117.3 | 0 | 0 | 0 | 110.5 | ||
| 1585 | H | 31.8 | Very low | 31.7 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | -138.5 | 110 | 163.9 | -117.5 | 54.3 | 0 | 0 | 0 | 112.5 | ||||
| 1586 | I | 30.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 67% | 0.672 | 75% | 0.746 | S | S | * | * | trans | 9 | 112.7 | 142.6 | -52.7 | 164.8 | 0 | 0 | 0 | 114.9 | ||||
| 1587 | H | 31.7 | Very low | 31.5 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -141 | 81.4 | 147.5 | -115.3 | -67 | 0 | 0 | 0 | 112.4 | V1589 | H1587-V1589 VanDerWaalsContact C-N 3.25Å; H1587-V1589 PolarHBondContact O-N 2.89Å | ||
| 1588 | T | 30.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | -74.8 | 77.1 | 164 | -47.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1589 | V | 32.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 62% | 0.618 | 74% | 0.739 | S | S | * | * | trans | -142.3 | 125.6 | 166.8 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | H1587 | H1587-V1589 VanDerWaalsContact C-N 3.25Å; H1587-V1589 PolarHBondContact O-N 2.89Å | ||
| 1590 | D | 28.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -10 | 123.6 | 164.9 | -41.9 | -41.4 | 0 | 0 | 0 | 116.8 | ||||
| 1591 | N | 29.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | -174.8 | 150 | 73.9 | -97 | -76 | 0 | 0 | 0 | 115.8 | |||||
| 1592 | T | 29.5 | Very low | 31.1 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | 65.1 | 147.6 | 153.4 | 60.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1593 | V | 33.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 81.7 | 61.8 | 165.3 | -151.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1594 | R | 30.2 | Very low | 31.1 | Very low | 228 Ų | 228 | 139.8 Ų | 139.8 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | 59 | 95.1 | 109.4 | -162.3 | -167.4 | -151 | 172.4 | 5.2 | 118.7 | |||||
| 1595 | S | 33.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 170 | 139 | 108 | -70.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1596 | N | 33.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | 14.1 | 137.6 | 139.5 | -47.1 | 1.4 | 0 | 0 | 0 | 118 | ||||
| 1597 | N | 33 | Very low | 31.6 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | cis | -170 | 168.5 | 6.9 | -100.8 | -6.8 | 0 | 0 | 0 | 106.6 | ||||
| 1598 | Y | 32.4 | Very low | 31.9 | Very low | 214 Ų | 214 | 136 Ų | 136 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | cis | -147.4 | 175.3 | 1.1 | -98.9 | -47.6 | 0 | 0 | 0 | 107.6 | ||||
| 1599 | S | 26.8 | Very low | 32.1 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -146.1 | 147.4 | 160 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1600 | L | 32.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -135.5 | 124.9 | 171.7 | -89.2 | 170.4 | 0 | 0 | 0 | 109.3 | ||||
| 1601 | S | 28.7 | Very low | 32.2 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -104.4 | 127.8 | -179 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1602 | F | 30.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 146 Ų | 146 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -93.9 | 97.2 | 166.1 | -91.4 | -82.5 | 0 | 0 | 0 | 110.7 | L1198 | L1198-F1602 HydrophobicContact CD1-CE1 4.43Å; L1198-F1602 HydrophobicContact CD1-CZ 4.25Å | ||
| 1603 | N | 32 | Very low | 32.5 | Very low | 142 Ų | 142 | 148 Ų | 148 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -110.2 | 108.6 | 162.9 | -75.8 | -37.5 | 0 | 0 | 0 | 107.4 | ||||
| 1604 | S | 33.1 | Very low | 32.4 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | 170.5 | 82.8 | 152.3 | -81 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1605 | I | 34.5 | Very low | 32.6 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -135.6 | 146.1 | 160.6 | -69.7 | -170.5 | 0 | 0 | 0 | 108.1 | ||||
| 1606 | P | 33.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 167.8 | -153.9 | -20.2 | 35.9 | 0 | 0 | 0 | 117.8 | ||||
| 1607 | P | 33.2 | Very low | 32.4 | Very low | 92 Ų | 92 | 146.2 Ų | 146.2 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -91.1 | 3.5 | -157.7 | 36.2 | -38 | 0 | 0 | 0 | 118 | Y1609 | P1607-Y1609 VanDerWaalsContact C-N 3.26Å; P1607-Y1609 PolarHBondContact O-N 3.38Å; P1607-Y1609 VanDerWaalsContact O-N 3.12Å |
| 1608 | D | 37.6 | Very low | 32.3 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 4.8 | -167.6 | -74 | -30.2 | 0 | 0 | 0 | 116.2 | ||
| 1609 | Y | 35.1 | Very low | 32.6 | Very low | 230 Ų | 230 | 142.3 Ų | 142.3 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 17.9 | 176.8 | -85.7 | -92.6 | 0 | 0 | 0 | 114 | P1607 H1611 | P1607-Y1609 VanDerWaalsContact C-N 3.26Å; P1607-Y1609 PolarHBondContact O-N 3.38Å; P1607-Y1609 VanDerWaalsContact O-N 3.12Å; Y1609-H1611 PolarHBondContact O-N 2.93Å; Y1609-H1611 VanDerWaalsContact O-N 3.16Å |
| 1610 | Q | 31.5 | Very low | 33.6 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -91.9 | 44.9 | -167 | -152.6 | 163 | 46.7 | 0 | 0 | 115.7 | ||||
| 1611 | H | 32.3 | Very low | 34.1 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -132.6 | 153.9 | 168.6 | -97.4 | -95.8 | 0 | 0 | 0 | 111 | Y1609 | Y1609-H1611 PolarHBondContact O-N 2.93Å; Y1609-H1611 VanDerWaalsContact O-N 3.16Å |
| 1612 | V | 33.9 | Very low | 34.4 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 88 | -2.4 | 174.7 | -168.3 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1613 | L | 30.7 | Very low | 35.4 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -121.2 | 51.2 | 175.1 | -75 | 177.6 | 0 | 0 | 0 | 116.1 | ||||
| 1614 | L | 31.5 | Very low | 36.4 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -145.4 | 74.3 | 169.9 | -80.1 | -178.2 | 0 | 0 | 0 | 114.7 | ||||
| 1615 | T | 34.3 | Very low | 37.2 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -156.2 | 109.2 | 148.6 | 41.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1616 | S | 31.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 38.7 | 93.6 | 155.1 | -55.1 | 0 | 0 | 0 | 0 | 120.2 | S1618 | S1616-S1618 PolarHBondContact O-N 3.28Š| ||
| 1617 | P | 31 | Very low | 40.1 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -90.8 | 79 | 175.6 | 36.2 | -34 | 0 | 0 | 0 | 113.5 | ||||
| 1618 | S | 32.1 | Very low | 41.8 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -154.2 | 139.6 | 163.7 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | S1616 | S1616-S1618 PolarHBondContact O-N 3.28Š|
| 1619 | D | 38.6 | Very low | 43.5 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 83.5 | -26 | 177 | -54 | -20.2 | 0 | 0 | 0 | 118.9 | ||
| 1620 | N | 47.2 | Very low | 45.5 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -15.4 | -173.7 | -83.3 | 7.3 | 0 | 0 | 0 | 117.6 | L1622 H1623 E1624 | N1620-L1622 PolarHBondContact O-N 3.4Å; N1620-L1622 VanDerWaalsContact O-N 3.07Å; N1620-H1623 WeakPolarHBondContact O-CB 3.49Å; N1620-H1623 PolarHBondContact O-N 2.85Å; N1620-E1624 PolarHBondContact O-N 2.94Å |
| 1621 | R | 42.6 | Very low | 47.9 | Very low | 202 Ų | 202 | 128.3 Ų | 128.3 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.2 | -27.7 | -170.9 | -99.1 | -173.1 | 171.7 | -169.2 | -3.6 | 115.1 | L1625 | R1621-L1625 WeakPolarHBondContact O-CG 3.48Å |
| 1622 | L | 36 | Very low | 50 | Low | 137 Ų | 137 | 124.5 Ų | 124.5 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.9 | -25.2 | 174.6 | -75.3 | 172 | 0 | 0 | 0 | 113 | N1620 L1625 V1626 | N1620-L1622 PolarHBondContact O-N 3.4Å; N1620-L1622 VanDerWaalsContact O-N 3.07Å; L1622-L1625 HydrophobicContact CD2-CD1 4.47Å; L1622-V1626 WeakPolarHBondContact O-CG2 3.42Å; L1622-V1626 PolarHBondContact O-N 3.37Å |
| 1623 | H | 51.2 | Low | 52.2 | Low | 115 Ų | 115 | 121.7 Ų | 121.7 | 53% | 0.532 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.9 | -41.7 | 179.9 | -157.7 | 0.9 | 0 | 0 | 0 | 111 | N1620 L1625 V1626 E1627 | N1620-H1623 WeakPolarHBondContact O-CB 3.49Å; N1620-H1623 PolarHBondContact O-N 2.85Å; H1623-L1625 VanDerWaalsContact C-N 3.35Å; H1623-L1625 PolarHBondContact O-N 3.09Å; H1623-V1626 PolarHBondContact O-N 3.37Å; H1623-E1627 PolarHBondContact O-N 3.03Å |
| 1624 | E | 52.5 | Low | 54.6 | Low | 127 Ų | 127 | 114.1 Ų | 114.1 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.3 | -38.8 | 175.5 | -67.8 | 174.3 | 128.9 | 0 | 0 | 112.1 | N1620 V1626 E1627 Y1628 | N1620-E1624 PolarHBondContact O-N 2.94Å; E1624-V1626 PolarHBondContact O-N 2.75Å; E1624-E1627 PolarHBondContact O-N 3.18Å; E1624-Y1628 VanDerWaalsContact O-CB 3.28Å; E1624-Y1628 WeakPolarHBondContact O-CB 3.36Å; E1624-Y1628 PolarHBondContact O-N 3.47Å |
| 1625 | L | 50.2 | Low | 56.9 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 59% | 0.586 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.1 | -38.8 | 174.2 | -75.4 | 167.9 | 0 | 0 | 0 | 112.7 | R1621 L1622 H1623 E1629 | R1621-L1625 WeakPolarHBondContact O-CG 3.48Å; L1622-L1625 HydrophobicContact CD2-CD1 4.47Å; H1623-L1625 VanDerWaalsContact C-N 3.35Å; H1623-L1625 PolarHBondContact O-N 3.09Å; L1625-E1629 PolarHBondContact O-N 3.17Å |
| 1626 | V | 63.5 | Low | 59 | Low | 100 Ų | 100 | 108.2 Ų | 108.2 | 61% | 0.606 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.4 | -39.3 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L1622 H1623 E1624 Y1628 Y1630 | L1622-V1626 WeakPolarHBondContact O-CG2 3.42Å; L1622-V1626 PolarHBondContact O-N 3.37Å; H1623-V1626 PolarHBondContact O-N 3.37Å; E1624-V1626 PolarHBondContact O-N 2.75Å; V1626-Y1628 VanDerWaalsContact C-N 3.33Å; V1626-Y1630 VanDerWaalsContact O-CB 3.3Å; V1626-Y1630 WeakPolarHBondContact O-CB 3.48Å; V1626-Y1630 PolarHBondContact O-N 3.32Å |
| 1627 | E | 66.5 | Low | 61.5 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 172.8 | -71.8 | -165.7 | 159.8 | 0 | 0 | 111.7 | H1623 E1624 L1631 | H1623-E1627 PolarHBondContact O-N 3.03Å; E1624-E1627 PolarHBondContact O-N 3.18Å; E1627-L1631 VanDerWaalsContact O-CB 3.28Å; E1627-L1631 WeakPolarHBondContact O-CB 3.3Å; E1627-L1631 PolarHBondContact O-N 3.23Å |
| 1628 | Y | 69 | Low | 64.1 | Low | 159 Ų | 159 | 100.9 Ų | 100.9 | 62% | 0.624 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -49.5 | 176.9 | -175.5 | -101.2 | 0 | 0 | 0 | 112.5 | E1624 V1626 Y1630 L1631 K1632 | E1624-Y1628 VanDerWaalsContact O-CB 3.28Å; E1624-Y1628 WeakPolarHBondContact O-CB 3.36Å; E1624-Y1628 PolarHBondContact O-N 3.47Å; V1626-Y1628 VanDerWaalsContact C-N 3.33Å; Y1628-Y1630 VanDerWaalsContact C-N 3.31Å; Y1628-Y1630 PolarHBondContact O-N 2.97Å; Y1628-L1631 PolarHBondContact O-N 2.88Å; Y1628-K1632 VanDerWaalsContact O-CB 3.27Å; Y1628-K1632 WeakPolarHBondContact O-CB 3.18Å; Y1628-K1632 PolarHBondContact O-N 2.96Å |
| 1629 | E | 73.3 | Confident | 66.3 | Low | 80 Ų | 80 | 104.1 Ų | 104.1 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -34 | 179.2 | -164.9 | 66.2 | -163.9 | 0 | 0 | 111.4 | L1625 K1632 N1633 | L1625-E1629 PolarHBondContact O-N 3.17Å; E1629-K1632 IonicContact OE1-NZ 3.71Å; E1629-K1632 PolarHBondContact OE1-NZ 2.73Å; E1629-K1632 WeakPolarHBondContact OE2-CD 3.44Å; E1629-K1632 IonicContact OE2-NZ 3.91Å; E1629-K1632 PolarHBondContact OE2-NZ 3.05Å; E1629-N1633 WeakPolarHBondContact O-CB 3.16Å; E1629-N1633 PolarHBondContact O-N 3.11Å; E1629-N1633 PolarHBondContact O-ND2 2.84Å |
| 1630 | Y | 77 | Confident | 68.1 | Low | 126 Ų | 126 | 101.2 Ų | 101.2 | 49% | 0.494 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 170.8 | -176.2 | -111.5 | 0 | 0 | 0 | 112.2 | V1626 Y1628 K1632 N1633 V1634 V1650 L1654 | V1626-Y1630 VanDerWaalsContact O-CB 3.3Å; V1626-Y1630 WeakPolarHBondContact O-CB 3.48Å; V1626-Y1630 PolarHBondContact O-N 3.32Å; Y1628-Y1630 VanDerWaalsContact C-N 3.31Å; Y1628-Y1630 PolarHBondContact O-N 2.97Å; Y1630-K1632 PolarHBondContact O-N 3.39Å; Y1630-N1633 PolarHBondContact O-N 3.45Å; Y1630-V1634 HydrophobicContact CD1-CG2 4.35Å; Y1630-V1634 HydrophobicContact CD2-CG2 4.4Å; Y1630-V1634 HydrophobicContact CE1-CG2 3.98Å; Y1630-V1634 HydrophobicContact CE2-CG2 4.03Å; Y1630-V1634 VanDerWaalsContact O-CG2 3.32Å; Y1630-V1634 WeakPolarHBondContact O-CG2 3.34Å; Y1630-V1634 PolarHBondContact O-N 3.31Å; Y1630-V1650 HydrophobicContact CE1-CG1 4.36Å; Y1630-L1654 HydrophobicContact CD1-CD1 3.87Å; Y1630-L1654 HydrophobicContact CD1-CD2 3.91Å; Y1630-L1654 HydrophobicContact CE1-CD1 3.81Å; Y1630-L1654 HydrophobicContact CE1-CD2 3.95Å; Y1630-L1654 HydrophobicContact CE1-CG 4.35Å |
| 1631 | L | 80.6 | Confident | 69.5 | Low | 41 Ų | 41 | 98 Ų | 98 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.3 | 176.7 | 60.7 | 0 | 0 | 0 | 112 | E1627 Y1628 V1634 L1635 L1651 L1654 M1655 | E1627-L1631 VanDerWaalsContact O-CB 3.28Å; E1627-L1631 WeakPolarHBondContact O-CB 3.3Å; E1627-L1631 PolarHBondContact O-N 3.23Å; Y1628-L1631 PolarHBondContact O-N 2.88Å; L1631-V1634 PolarHBondContact O-N 2.98Å; L1631-L1635 HydrophobicContact CD1-CD1 4.26Å; L1631-L1635 HydrophobicContact CD1-CG 4.27Å; L1631-L1635 HydrophobicContact CG-CD1 4.08Å; L1631-L1635 WeakPolarHBondContact O-CB 3.2Å; L1631-L1635 WeakPolarHBondContact O-CG 3.19Å; L1631-L1635 PolarHBondContact O-N 3.18Å; L1631-L1651 HydrophobicContact CD1-CD2 3.81Å; L1631-L1654 HydrophobicContact CB-CD1 4.4Å; L1631-L1654 HydrophobicContact CD1-CB 4.1Å; L1631-L1654 HydrophobicContact CD1-CD1 3.84Å; L1631-M1655 HydrophobicContact CD1-CG 4.38Å |
| 1632 | K | 76.3 | Confident | 71.1 | Confident | 99 Ų | 99 | 92.6 Ų | 92.6 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.2 | 175.4 | -164.9 | 176.8 | -163.3 | 0 | 111.6 | Y1628 E1629 Y1630 L1635 F1636 | Y1628-K1632 VanDerWaalsContact O-CB 3.27Å; Y1628-K1632 WeakPolarHBondContact O-CB 3.18Å; Y1628-K1632 PolarHBondContact O-N 2.96Å; E1629-K1632 IonicContact OE1-NZ 3.71Å; E1629-K1632 PolarHBondContact OE1-NZ 2.73Å; E1629-K1632 WeakPolarHBondContact OE2-CD 3.44Å; E1629-K1632 IonicContact OE2-NZ 3.91Å; E1629-K1632 PolarHBondContact OE2-NZ 3.05Å; Y1630-K1632 PolarHBondContact O-N 3.39Å; K1632-L1635 PolarHBondContact O-N 3.45Å; K1632-F1636 WeakPolarHBondContact O-CB 3.05Å; K1632-F1636 PolarHBondContact O-N 3.38Å |
| 1633 | N | 80 | Confident | 73.3 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 176.9 | -68.7 | -21.5 | 0 | 0 | 0 | 112 | E1629 Y1630 L1635 F1636 E1637 | E1629-N1633 WeakPolarHBondContact O-CB 3.16Å; E1629-N1633 PolarHBondContact O-N 3.11Å; E1629-N1633 PolarHBondContact O-ND2 2.84Å; Y1630-N1633 PolarHBondContact O-N 3.45Å; N1633-L1635 VanDerWaalsContact C-N 3.34Å; N1633-L1635 PolarHBondContact O-N 3.28Å; N1633-F1636 PolarHBondContact O-N 2.87Å; N1633-E1637 PolarHBondContact O-N 3.48Å |
| 1634 | V | 82.6 | Confident | 74.8 | Confident | 9 Ų | 9 | 87.7 Ų | 87.7 | 6% | 0.055 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | Y1630 L1631 Y1638 L1647 V1650 L1651 L1654 | Y1630-V1634 HydrophobicContact CD1-CG2 4.35Å; Y1630-V1634 HydrophobicContact CD2-CG2 4.4Å; Y1630-V1634 HydrophobicContact CE1-CG2 3.98Å; Y1630-V1634 HydrophobicContact CE2-CG2 4.03Å; Y1630-V1634 VanDerWaalsContact O-CG2 3.32Å; Y1630-V1634 WeakPolarHBondContact O-CG2 3.34Å; Y1630-V1634 PolarHBondContact O-N 3.31Å; L1631-V1634 PolarHBondContact O-N 2.98Å; V1634-Y1638 VanDerWaalsContact O-CB 3.32Å; V1634-Y1638 WeakPolarHBondContact O-CB 3.42Å; V1634-Y1638 PolarHBondContact O-N 3.38Å; V1634-L1647 HydrophobicContact CG1-CD2 4.37Å; V1634-V1650 HydrophobicContact CG1-CB 4.06Å; V1634-V1650 HydrophobicContact CG1-CG1 3.83Å; V1634-V1650 HydrophobicContact CG2-CG1 4.11Å; V1634-L1651 HydrophobicContact CB-CD2 4.34Å; V1634-L1651 HydrophobicContact CG1-CD2 3.63Å; V1634-L1651 HydrophobicContact CG1-CG 3.78Å; V1634-L1654 HydrophobicContact CB-CD1 4.33Å; V1634-L1654 HydrophobicContact CG1-CD1 4.34Å; V1634-L1654 HydrophobicContact CG2-CD1 4.28Å |
| 1635 | L | 79.9 | Confident | 76.3 | Confident | 69 Ų | 69 | 85.6 Ų | 85.6 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 172.5 | -79.2 | 168.7 | 0 | 0 | 0 | 111.9 | L1631 K1632 N1633 Y1638 M1639 L1651 | L1631-L1635 HydrophobicContact CD1-CD1 4.26Å; L1631-L1635 HydrophobicContact CD1-CG 4.27Å; L1631-L1635 HydrophobicContact CG-CD1 4.08Å; L1631-L1635 WeakPolarHBondContact O-CB 3.2Å; L1631-L1635 WeakPolarHBondContact O-CG 3.19Å; L1631-L1635 PolarHBondContact O-N 3.18Å; K1632-L1635 PolarHBondContact O-N 3.45Å; N1633-L1635 VanDerWaalsContact C-N 3.34Å; N1633-L1635 PolarHBondContact O-N 3.28Å; L1635-Y1638 PolarHBondContact O-N 2.94Å; L1635-M1639 WeakPolarHBondContact O-CB 3.38Å; L1635-M1639 WeakPolarHBondContact O-CG 3.47Å; L1635-M1639 PolarHBondContact O-N 3.44Å; L1635-L1651 HydrophobicContact CD2-CD1 4.07Å; L1635-L1651 HydrophobicContact CD2-CD2 3.56Å; L1635-L1651 HydrophobicContact CD2-CG 4.48Å; L1635-L1651 HydrophobicContact CG-CD2 3.69Å |
| 1636 | F | 78.4 | Confident | 78 | Confident | 114 Ų | 114 | 83 Ų | 83 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 179.7 | -178.9 | -109.6 | 0 | 0 | 0 | 111.9 | K1632 N1633 Y1638 M1639 Q1640 | K1632-F1636 WeakPolarHBondContact O-CB 3.05Å; K1632-F1636 PolarHBondContact O-N 3.38Å; N1633-F1636 PolarHBondContact O-N 2.87Å; F1636-Y1638 VanDerWaalsContact C-N 3.34Å; F1636-Y1638 PolarHBondContact O-N 3.37Å; F1636-M1639 PolarHBondContact O-N 3.26Å; F1636-M1639 VanDerWaalsContact O-N 3.15Å; F1636-Q1640 PolarHBondContact O-N 3Å |
| 1637 | E | 83.4 | Confident | 79.2 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 23% | 0.229 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 177.8 | -66.2 | -54.5 | 150.4 | 0 | 0 | 112.7 | N1633 M1639 Q1640 G1641 R1642 L1647 | N1633-E1637 PolarHBondContact O-N 3.48Å; E1637-M1639 VanDerWaalsContact C-N 3.32Å; E1637-M1639 PolarHBondContact O-N 3Å; E1637-Q1640 PolarHBondContact O-N 3.2Å; E1637-G1641 PolarHBondContact O-N 2.89Å; E1637-R1642 PolarHBondContact O-N 2.94Å; E1637-R1642 VanDerWaalsContact O-N 3.16Å; E1637-R1642 WeakPolarHBondContact OE2-CD 3.41Å; E1637-R1642 IonicContact OE2-CZ 2.71Å; E1637-R1642 IonicContact OE2-NE 2.84Å; E1637-R1642 PolarHBondContact OE2-NE 3.45Å; E1637-L1647 VanDerWaalsContact C-CD1 3.48Å; E1637-L1647 HydrophobicContact CB-CD1 3.43Å; E1637-L1647 VanDerWaalsContact CB-CD1 3.43Å |
| 1638 | Y | 84.8 | Confident | 80.3 | Confident | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 172.6 | 179.9 | -102.9 | 0 | 0 | 0 | 112.1 | V1634 L1635 F1636 G1641 T1644 L1647 L1651 E1669 | V1634-Y1638 VanDerWaalsContact O-CB 3.32Å; V1634-Y1638 WeakPolarHBondContact O-CB 3.42Å; V1634-Y1638 PolarHBondContact O-N 3.38Å; L1635-Y1638 PolarHBondContact O-N 2.94Å; F1636-Y1638 VanDerWaalsContact C-N 3.34Å; F1636-Y1638 PolarHBondContact O-N 3.37Å; Y1638-G1641 PolarHBondContact O-N 2.95Å; Y1638-T1644 HydrophobicContact CD2-CG2 4.45Å; Y1638-L1647 HydrophobicContact CD2-CB 4.06Å; Y1638-L1647 VanDerWaalsContact N-CD1 3.34Å; Y1638-L1651 HydrophobicContact CD1-CD1 3.69Å; Y1638-L1651 HydrophobicContact CD2-CD1 4.06Å; Y1638-L1651 HydrophobicContact CE1-CD1 4.22Å; Y1638-L1651 HydrophobicContact CG-CD1 3.59Å; Y1638-E1669 HydrophobicContact CE2-CG 4.11Å; Y1638-E1669 PolarHBondContact OH-OE1 3.33Å; Y1638-E1669 VanDerWaalsContact OH-OE1 3.06Å |
| 1639 | M | 78 | Confident | 81.1 | Confident | 156 Ų | 156 | 71.3 Ų | 71.3 | 77% | 0.768 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -73.2 | -31.5 | 174.6 | -75 | 178.7 | 59.8 | 0 | 0 | 113.2 | L1635 F1636 E1637 G1641 | L1635-M1639 WeakPolarHBondContact O-CB 3.38Å; L1635-M1639 WeakPolarHBondContact O-CG 3.47Å; L1635-M1639 PolarHBondContact O-N 3.44Å; F1636-M1639 PolarHBondContact O-N 3.26Å; F1636-M1639 VanDerWaalsContact O-N 3.15Å; E1637-M1639 VanDerWaalsContact C-N 3.32Å; E1637-M1639 PolarHBondContact O-N 3Å; M1639-G1641 PolarHBondContact O-N 3.34Å |
| 1640 | Q | 76.5 | Confident | 81.7 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.3 | -13.7 | 169.4 | -71.2 | -160.7 | 22.5 | 0 | 0 | 113.4 | F1636 E1637 R1642 | F1636-Q1640 PolarHBondContact O-N 3Å; E1637-Q1640 PolarHBondContact O-N 3.2Å; Q1640-R1642 HydrophobicContact CB-CG 4.39Å |
| 1641 | G | 77.2 | Confident | 82.1 | Confident | 46 Ų | 46 | 64 Ų | 64 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1637 Y1638 M1639 T1644 | E1637-G1641 PolarHBondContact O-N 2.89Å; Y1638-G1641 PolarHBondContact O-N 2.95Å; M1639-G1641 PolarHBondContact O-N 3.34Å; G1641-T1644 WeakPolarHBondContact O-CG2 3.39Å |
| 1642 | R | 75.6 | Confident | 82.5 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 33% | 0.328 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 139.6 | 172.7 | -56.1 | -163.9 | -152.5 | -120.5 | -14.5 | 110 | E1637 Q1640 T1644 L1647 | E1637-R1642 PolarHBondContact O-N 2.94Å; E1637-R1642 VanDerWaalsContact O-N 3.16Å; E1637-R1642 WeakPolarHBondContact OE2-CD 3.41Å; E1637-R1642 IonicContact OE2-CZ 2.71Å; E1637-R1642 IonicContact OE2-NE 2.84Å; E1637-R1642 PolarHBondContact OE2-NE 3.45Å; Q1640-R1642 HydrophobicContact CB-CG 4.39Å; R1642-T1644 PolarHBondContact O-N 3.2Å; R1642-L1647 VanDerWaalsContact O-CD1 3.28Å; R1642-L1647 WeakPolarHBondContact O-CD1 3.33Å |
| 1643 | E | 82.2 | Confident | 82.8 | Confident | 132 Ų | 132 | 61.7 Ų | 61.7 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 33.4 | 46 | 177.3 | -67 | -157.4 | -162.4 | 0 | 0 | 115.1 | Q1645 T1646 L1647 | E1643-Q1645 PolarHBondContact O-N 3.25Å; E1643-T1646 CarbonylContact O-C 3.56Å; E1643-T1646 WeakPolarHBondContact O-CA 3.48Å; E1643-T1646 PolarHBondContact O-N 3.31Å; E1643-T1646 WeakPolarHBondContact OE2-CB 3.45Å; E1643-T1646 WeakPolarHBondContact OE2-CG2 3.37Å; E1643-T1646 PolarHBondContact OE2-OG1 3.44Å; E1643-L1647 HydrophobicContact CB-CG 4.36Å; E1643-L1647 PolarHBondContact O-N 3.23Å |
| 1644 | T | 82.7 | Confident | 82.8 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 10% | 0.104 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -31.4 | -166.6 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | Y1638 G1641 R1642 S1648 E1669 | Y1638-T1644 HydrophobicContact CD2-CG2 4.45Å; G1641-T1644 WeakPolarHBondContact O-CG2 3.39Å; R1642-T1644 PolarHBondContact O-N 3.2Å; T1644-S1648 WeakPolarHBondContact O-CB 3.18Å; T1644-S1648 PolarHBondContact O-N 3.49Å; T1644-S1648 PolarHBondContact O-OG 3.39Å; T1644-E1669 WeakPolarHBondContact CB-OE2 3.49Å; T1644-E1669 PolarHBondContact OG1-OE2 2.89Å |
| 1645 | Q | 84.2 | Confident | 82.8 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.2 | -19.8 | 175 | -150.3 | -143.9 | 53.6 | 0 | 0 | 113.7 | E1643 K1649 D1670 | E1643-Q1645 PolarHBondContact O-N 3.25Å; Q1645-K1649 VanDerWaalsContact O-CD 3.3Å; Q1645-K1649 WeakPolarHBondContact O-CD 3.5Å; Q1645-K1649 WeakPolarHBondContact O-CE 3.42Å; Q1645-K1649 WeakPolarHBondContact O-CG 3.38Å; Q1645-K1649 PolarHBondContact O-NZ 3.45Å; Q1645-D1670 PolarHBondContact NE2-OD1 2.94Å |
| 1646 | T | 86.4 | Confident | 83 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -86.9 | -52.7 | 169 | -51.9 | 0 | 0 | 0 | 0 | 110.1 | E1643 S1648 K1649 V1650 | E1643-T1646 CarbonylContact O-C 3.56Å; E1643-T1646 WeakPolarHBondContact O-CA 3.48Å; E1643-T1646 PolarHBondContact O-N 3.31Å; E1643-T1646 WeakPolarHBondContact OE2-CB 3.45Å; E1643-T1646 WeakPolarHBondContact OE2-CG2 3.37Å; E1643-T1646 PolarHBondContact OE2-OG1 3.44Å; T1646-S1648 VanDerWaalsContact C-N 3.31Å; T1646-S1648 PolarHBondContact O-N 3.38Å; T1646-K1649 WeakPolarHBondContact O-CA 3.24Å; T1646-K1649 VanDerWaalsContact O-CB 3.25Å; T1646-K1649 WeakPolarHBondContact O-CB 3.22Å; T1646-K1649 PolarHBondContact O-N 2.86Å; T1646-V1650 PolarHBondContact O-N 3.01Å; T1646-V1650 VanDerWaalsContact O-N 3.16Å |
| 1647 | L | 88.7 | Confident | 83.4 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -33.5 | -174.6 | -61.3 | -177.3 | 0 | 0 | 0 | 112.3 | V1634 E1637 Y1638 R1642 E1643 K1649 V1650 L1651 | V1634-L1647 HydrophobicContact CG1-CD2 4.37Å; E1637-L1647 VanDerWaalsContact C-CD1 3.48Å; E1637-L1647 HydrophobicContact CB-CD1 3.43Å; E1637-L1647 VanDerWaalsContact CB-CD1 3.43Å; Y1638-L1647 HydrophobicContact CD2-CB 4.06Å; Y1638-L1647 VanDerWaalsContact N-CD1 3.34Å; R1642-L1647 VanDerWaalsContact O-CD1 3.28Å; R1642-L1647 WeakPolarHBondContact O-CD1 3.33Å; E1643-L1647 HydrophobicContact CB-CG 4.36Å; E1643-L1647 PolarHBondContact O-N 3.23Å; L1647-K1649 VanDerWaalsContact C-N 3.28Å; L1647-K1649 PolarHBondContact O-N 3.33Å; L1647-V1650 CarbonylContact O-C 3.14Å; L1647-V1650 PolarHBondContact O-N 3.41Å; L1647-V1650 VanDerWaalsContact O-N 3.09Å; L1647-L1651 WeakPolarHBondContact O-CB 3.28Å; L1647-L1651 WeakPolarHBondContact O-CG 3.43Å; L1647-L1651 PolarHBondContact O-N 3.48Å |
| 1648 | S | 88.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.6 | -35.7 | 169 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | T1644 T1646 C1652 L1666 | T1644-S1648 WeakPolarHBondContact O-CB 3.18Å; T1644-S1648 PolarHBondContact O-N 3.49Å; T1644-S1648 PolarHBondContact O-OG 3.39Å; T1646-S1648 VanDerWaalsContact C-N 3.31Å; T1646-S1648 PolarHBondContact O-N 3.38Å; S1648-C1652 WeakPolarHBondContact O-CB 3.43Å; S1648-C1652 PolarHBondContact O-N 2.86Å; S1648-C1652 PolarHBondContact O-SG 2.91Å; S1648-L1666 WeakPolarHBondContact OG-CD2 3.42Å |
| 1649 | K | 87.3 | Confident | 83.3 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 173.7 | -56.4 | 167.6 | -176.1 | 124.9 | 0 | 110.8 | Q1645 T1646 L1647 S1653 L1666 | Q1645-K1649 VanDerWaalsContact O-CD 3.3Å; Q1645-K1649 WeakPolarHBondContact O-CD 3.5Å; Q1645-K1649 WeakPolarHBondContact O-CE 3.42Å; Q1645-K1649 WeakPolarHBondContact O-CG 3.38Å; Q1645-K1649 PolarHBondContact O-NZ 3.45Å; T1646-K1649 WeakPolarHBondContact O-CA 3.24Å; T1646-K1649 VanDerWaalsContact O-CB 3.25Å; T1646-K1649 WeakPolarHBondContact O-CB 3.22Å; T1646-K1649 PolarHBondContact O-N 2.86Å; L1647-K1649 VanDerWaalsContact C-N 3.28Å; L1647-K1649 PolarHBondContact O-N 3.33Å; K1649-S1653 WeakPolarHBondContact O-CB 3.12Å; K1649-S1653 PolarHBondContact O-N 2.93Å; K1649-S1653 VanDerWaalsContact O-N 3.11Å; K1649-S1653 PolarHBondContact O-OG 3.35Å; K1649-L1666 HydrophobicContact CD-CD2 4.49Å; K1649-L1666 HydrophobicContact CG-CD1 4.23Å; K1649-L1666 HydrophobicContact CG-CD2 3.48Å; K1649-L1666 VanDerWaalsContact CG-CD2 3.48Å; K1649-L1666 HydrophobicContact CG-CG 4.49Å |
| 1650 | V | 85.1 | Confident | 83.5 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 177 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | Y1630 V1634 T1646 L1647 C1652 S1653 L1654 | Y1630-V1650 HydrophobicContact CE1-CG1 4.36Å; V1634-V1650 HydrophobicContact CG1-CB 4.06Å; V1634-V1650 HydrophobicContact CG1-CG1 3.83Å; V1634-V1650 HydrophobicContact CG2-CG1 4.11Å; T1646-V1650 PolarHBondContact O-N 3.01Å; T1646-V1650 VanDerWaalsContact O-N 3.16Å; L1647-V1650 CarbonylContact O-C 3.14Å; L1647-V1650 PolarHBondContact O-N 3.41Å; L1647-V1650 VanDerWaalsContact O-N 3.09Å; V1650-C1652 PolarHBondContact O-N 3.36Å; V1650-S1653 CarbonylContact O-C 3.6Å; V1650-S1653 WeakPolarHBondContact O-CA 3.25Å; V1650-S1653 WeakPolarHBondContact O-CB 3.38Å; V1650-S1653 PolarHBondContact O-N 2.96Å; V1650-L1654 HydrophobicContact CG1-CD1 3.91Å; V1650-L1654 HydrophobicContact CG1-CG 4.23Å; V1650-L1654 WeakPolarHBondContact O-CG 3.36Å; V1650-L1654 PolarHBondContact O-N 3.1Å |
| 1651 | L | 86.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 175.3 | -71.4 | 173.9 | 0 | 0 | 0 | 112.1 | L1631 V1634 L1635 Y1638 L1647 S1653 L1654 M1655 | L1631-L1651 HydrophobicContact CD1-CD2 3.81Å; V1634-L1651 HydrophobicContact CB-CD2 4.34Å; V1634-L1651 HydrophobicContact CG1-CD2 3.63Å; V1634-L1651 HydrophobicContact CG1-CG 3.78Å; L1635-L1651 HydrophobicContact CD2-CD1 4.07Å; L1635-L1651 HydrophobicContact CD2-CD2 3.56Å; L1635-L1651 HydrophobicContact CD2-CG 4.48Å; L1635-L1651 HydrophobicContact CG-CD2 3.69Å; Y1638-L1651 HydrophobicContact CD1-CD1 3.69Å; Y1638-L1651 HydrophobicContact CD2-CD1 4.06Å; Y1638-L1651 HydrophobicContact CE1-CD1 4.22Å; Y1638-L1651 HydrophobicContact CG-CD1 3.59Å; L1647-L1651 WeakPolarHBondContact O-CB 3.28Å; L1647-L1651 WeakPolarHBondContact O-CG 3.43Å; L1647-L1651 PolarHBondContact O-N 3.48Å; L1651-S1653 PolarHBondContact O-N 2.82Å; L1651-L1654 PolarHBondContact O-N 2.92Å; L1651-M1655 WeakPolarHBondContact O-CB 3.32Å; L1651-M1655 WeakPolarHBondContact O-CG 3.32Å; L1651-M1655 PolarHBondContact O-N 2.88Å |
| 1652 | C | 88 | Confident | 84.2 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -30.9 | 175.5 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | S1648 V1650 R1656 F1657 T1662 | S1648-C1652 WeakPolarHBondContact O-CB 3.43Å; S1648-C1652 PolarHBondContact O-N 2.86Å; S1648-C1652 PolarHBondContact O-SG 2.91Å; V1650-C1652 PolarHBondContact O-N 3.36Å; C1652-R1656 PolarHBondContact O-N 2.79Å; C1652-F1657 HydrophobicContact CB-CB 4.09Å; C1652-F1657 HydrophobicContact CB-CD2 4.18Å; C1652-F1657 HydrophobicContact CB-CG 4.42Å; C1652-F1657 WeakPolarHBondContact O-CB 3.43Å; C1652-F1657 PolarHBondContact O-N 2.61Å; C1652-T1662 HydrophobicContact CB-CG2 3.74Å; C1652-T1662 WeakPolarHBondContact CB-OG1 3.39Å |
| 1653 | S | 83.3 | Confident | 84.6 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -77.1 | -47 | 177.5 | -56 | 0 | 0 | 0 | 0 | 112 | K1649 V1650 L1651 R1656 | K1649-S1653 WeakPolarHBondContact O-CB 3.12Å; K1649-S1653 PolarHBondContact O-N 2.93Å; K1649-S1653 VanDerWaalsContact O-N 3.11Å; K1649-S1653 PolarHBondContact O-OG 3.35Å; V1650-S1653 CarbonylContact O-C 3.6Å; V1650-S1653 WeakPolarHBondContact O-CA 3.25Å; V1650-S1653 WeakPolarHBondContact O-CB 3.38Å; V1650-S1653 PolarHBondContact O-N 2.96Å; L1651-S1653 PolarHBondContact O-N 2.82Å; S1653-R1656 PolarHBondContact O-N 3.27Å |
| 1654 | L | 79.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 72.1 Ų | 72.1 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 177.6 | -72.3 | 173.1 | 0 | 0 | 0 | 111.8 | Y1630 L1631 V1634 V1650 L1651 R1656 | Y1630-L1654 HydrophobicContact CD1-CD1 3.87Å; Y1630-L1654 HydrophobicContact CD1-CD2 3.91Å; Y1630-L1654 HydrophobicContact CE1-CD1 3.81Å; Y1630-L1654 HydrophobicContact CE1-CD2 3.95Å; Y1630-L1654 HydrophobicContact CE1-CG 4.35Å; L1631-L1654 HydrophobicContact CB-CD1 4.4Å; L1631-L1654 HydrophobicContact CD1-CB 4.1Å; L1631-L1654 HydrophobicContact CD1-CD1 3.84Å; V1634-L1654 HydrophobicContact CB-CD1 4.33Å; V1634-L1654 HydrophobicContact CG1-CD1 4.34Å; V1634-L1654 HydrophobicContact CG2-CD1 4.28Å; V1650-L1654 HydrophobicContact CG1-CD1 3.91Å; V1650-L1654 HydrophobicContact CG1-CG 4.23Å; V1650-L1654 WeakPolarHBondContact O-CG 3.36Å; V1650-L1654 PolarHBondContact O-N 3.1Å; L1651-L1654 PolarHBondContact O-N 2.92Å; L1654-R1656 PolarHBondContact O-N 3.42Å; L1654-R1656 VanDerWaalsContact O-N 3.17Å |
| 1655 | M | 81.4 | Confident | 85 | Confident | 106 Ų | 106 | 73.2 Ų | 73.2 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 5.4 | 177.1 | -58.9 | -159.2 | 78.8 | 0 | 0 | 113.5 | L1631 L1651 F1657 | L1631-M1655 HydrophobicContact CD1-CG 4.38Å; L1651-M1655 WeakPolarHBondContact O-CB 3.32Å; L1651-M1655 WeakPolarHBondContact O-CG 3.32Å; L1651-M1655 PolarHBondContact O-N 2.88Å; M1655-F1657 HydrophobicContact CB-CD1 3.64Å; M1655-F1657 HydrophobicContact CB-CE1 3.49Å; M1655-F1657 VanDerWaalsContact CB-CE1 3.49Å; M1655-F1657 HydrophobicContact CB-CZ 4.3Å; M1655-F1657 HydrophobicContact CE-CE1 4.47Å; M1655-F1657 HydrophobicContact CG-CE1 4.32Å; M1655-F1657 PolarHBondContact O-N 3.29Å; M1655-F1657 HydrophobicContact SD-CE1 3.98Å; M1655-F1657 HydrophobicContact SD-CZ 4.09Å |
| 1656 | R | 84.4 | Confident | 85.2 | Confident | 208 Ų | 208 | 71.3 Ų | 71.3 | 79% | 0.785 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38.4 | 177.2 | -52.8 | -178.4 | -174.2 | 176.2 | 3.3 | 113.2 | C1652 S1653 L1654 | C1652-R1656 PolarHBondContact O-N 2.79Å; S1653-R1656 PolarHBondContact O-N 3.27Å; L1654-R1656 PolarHBondContact O-N 3.42Å; L1654-R1656 VanDerWaalsContact O-N 3.17Å |
| 1657 | F | 87.4 | Confident | 85.2 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | trans | -60.9 | 139.1 | 178.8 | -80.1 | 11.7 | 0 | 0 | 0 | 111 | C1652 M1655 Q1661 T1662 V1665 | C1652-F1657 HydrophobicContact CB-CB 4.09Å; C1652-F1657 HydrophobicContact CB-CD2 4.18Å; C1652-F1657 HydrophobicContact CB-CG 4.42Å; C1652-F1657 WeakPolarHBondContact O-CB 3.43Å; C1652-F1657 PolarHBondContact O-N 2.61Å; M1655-F1657 HydrophobicContact CB-CD1 3.64Å; M1655-F1657 HydrophobicContact CB-CE1 3.49Å; M1655-F1657 VanDerWaalsContact CB-CE1 3.49Å; M1655-F1657 HydrophobicContact CB-CZ 4.3Å; M1655-F1657 HydrophobicContact CE-CE1 4.47Å; M1655-F1657 HydrophobicContact CG-CE1 4.32Å; M1655-F1657 PolarHBondContact O-N 3.29Å; M1655-F1657 HydrophobicContact SD-CE1 3.98Å; M1655-F1657 HydrophobicContact SD-CZ 4.09Å; F1657-Q1661 HydrophobicContact CB-CB 3.9Å; F1657-Q1661 HydrophobicContact CD2-CB 3.96Å; F1657-Q1661 HydrophobicContact CG-CB 4.06Å; F1657-T1662 PolarHBondContact O-OG1 3.39Å; F1657-V1665 HydrophobicContact CD2-CG2 4.31Å; F1657-V1665 HydrophobicContact CE2-CG2 4.08Å | ||
| 1658 | N | 84.8 | Confident | 85.2 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | trans | -69.6 | 161.7 | 175.7 | 73.9 | 48.2 | 0 | 0 | 0 | 111.3 | D1660 Q1661 T1662 | N1658-D1660 PolarHBondContact O-N 3.32Å; N1658-D1660 WeakPolarHBondContact OD1-CB 3.26Å; N1658-D1660 PolarHBondContact OD1-N 2.74Å; N1658-Q1661 PolarHBondContact ND2-OE1 3.49Å; N1658-Q1661 WeakPolarHBondContact O-CB 3.47Å; N1658-Q1661 PolarHBondContact O-N 3.41Å; N1658-Q1661 PolarHBondContact OD1-N 3.36Å; N1658-T1662 PolarHBondContact O-N 3.26Å; N1658-T1662 PolarHBondContact O-OG1 3.01Å | ||
| 1659 | A | 82.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.4 | -21.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1663 | A1659-R1663 WeakPolarHBondContact O-CB 3.29Å; A1659-R1663 PolarHBondContact O-N 3.2Å; A1659-R1663 PolarHBondContact O-NH2 3.35Å |
| 1660 | D | 81.2 | Confident | 84.9 | Confident | 91 Ų | 91 | 76.3 Ų | 76.3 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -85.4 | -37.7 | 175.2 | -71.8 | -16.3 | 0 | 0 | 0 | 112.3 | N1658 R1663 K1664 | N1658-D1660 PolarHBondContact O-N 3.32Å; N1658-D1660 WeakPolarHBondContact OD1-CB 3.26Å; N1658-D1660 PolarHBondContact OD1-N 2.74Å; D1660-R1663 IonicContact OD1-CZ 2.66Å; D1660-R1663 IonicContact OD1-NH1 3.58Å; D1660-R1663 PolarHBondContact OD1-NH1 3.4Å; D1660-R1663 IonicContact OD1-NH2 2.65Å; D1660-R1663 PolarHBondContact OD1-NH2 2.79Å; D1660-K1664 WeakPolarHBondContact O-CG 3.36Å; D1660-K1664 PolarHBondContact O-N 3.08Å; D1660-K1664 VanDerWaalsContact O-N 3.09Å |
| 1661 | Q | 83.8 | Confident | 84.8 | Confident | 84 Ų | 84 | 80.2 Ų | 80.2 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -52.3 | 170.8 | -72 | 169.5 | -54.1 | 0 | 0 | 110.4 | F1657 N1658 R1663 K1664 V1665 | F1657-Q1661 HydrophobicContact CB-CB 3.9Å; F1657-Q1661 HydrophobicContact CD2-CB 3.96Å; F1657-Q1661 HydrophobicContact CG-CB 4.06Å; N1658-Q1661 PolarHBondContact ND2-OE1 3.49Å; N1658-Q1661 WeakPolarHBondContact O-CB 3.47Å; N1658-Q1661 PolarHBondContact O-N 3.41Å; N1658-Q1661 PolarHBondContact OD1-N 3.36Å; Q1661-R1663 VanDerWaalsContact C-N 3.28Å; Q1661-R1663 PolarHBondContact O-N 2.91Å; Q1661-K1664 WeakPolarHBondContact O-CB 3.43Å; Q1661-K1664 PolarHBondContact O-N 3.27Å; Q1661-V1665 PolarHBondContact O-N 3.39Å |
| 1662 | T | 85.2 | Confident | 84.6 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.5 | -42.8 | 177.9 | -56 | 0 | 0 | 0 | 0 | 111.7 | C1652 F1657 N1658 K1664 V1665 L1666 | C1652-T1662 HydrophobicContact CB-CG2 3.74Å; C1652-T1662 WeakPolarHBondContact CB-OG1 3.39Å; F1657-T1662 PolarHBondContact O-OG1 3.39Å; N1658-T1662 PolarHBondContact O-N 3.26Å; N1658-T1662 PolarHBondContact O-OG1 3.01Å; T1662-K1664 PolarHBondContact O-N 3.33Å; T1662-V1665 PolarHBondContact O-N 3.47Å; T1662-L1666 HydrophobicContact CG2-CD1 3.95Å; T1662-L1666 VanDerWaalsContact O-CG 3.26Å; T1662-L1666 WeakPolarHBondContact O-CG 3.38Å; T1662-L1666 PolarHBondContact O-N 3.42Å; T1662-L1666 VanDerWaalsContact O-N 3.08Å |
| 1663 | R | 84.5 | Confident | 83.9 | Confident | 136 Ų | 136 | 85.7 Ų | 85.7 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 176.9 | -161.8 | -175 | -44.7 | 107.7 | 16.4 | 112.5 | A1659 D1660 Q1661 T1667 | A1659-R1663 WeakPolarHBondContact O-CB 3.29Å; A1659-R1663 PolarHBondContact O-N 3.2Å; A1659-R1663 PolarHBondContact O-NH2 3.35Å; D1660-R1663 IonicContact OD1-CZ 2.66Å; D1660-R1663 IonicContact OD1-NH1 3.58Å; D1660-R1663 PolarHBondContact OD1-NH1 3.4Å; D1660-R1663 IonicContact OD1-NH2 2.65Å; D1660-R1663 PolarHBondContact OD1-NH2 2.79Å; Q1661-R1663 VanDerWaalsContact C-N 3.28Å; Q1661-R1663 PolarHBondContact O-N 2.91Å; R1663-T1667 WeakPolarHBondContact O-CB 3.32Å; R1663-T1667 PolarHBondContact O-N 3.31Å; R1663-T1667 PolarHBondContact O-OG1 3.4Å |
| 1664 | K | 87 | Confident | 83.4 | Confident | 161 Ų | 161 | 87 Ų | 87 | 70% | 0.7 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.5 | -47.9 | 177.3 | -75.2 | 174.5 | 179.7 | -177.5 | 0 | 111.9 | D1660 Q1661 T1662 T1667 Y1668 | D1660-K1664 WeakPolarHBondContact O-CG 3.36Å; D1660-K1664 PolarHBondContact O-N 3.08Å; D1660-K1664 VanDerWaalsContact O-N 3.09Å; Q1661-K1664 WeakPolarHBondContact O-CB 3.43Å; Q1661-K1664 PolarHBondContact O-N 3.27Å; T1662-K1664 PolarHBondContact O-N 3.33Å; K1664-T1667 PolarHBondContact O-N 3.32Å; K1664-Y1668 PolarHBondContact O-N 3Å |
| 1665 | V | 84.5 | Confident | 83 | Confident | 40 Ų | 40 | 88.9 Ų | 88.9 | 24% | 0.242 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 179.1 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | F1657 Q1661 T1662 T1667 Y1668 E1669 | F1657-V1665 HydrophobicContact CD2-CG2 4.31Å; F1657-V1665 HydrophobicContact CE2-CG2 4.08Å; Q1661-V1665 PolarHBondContact O-N 3.39Å; T1662-V1665 PolarHBondContact O-N 3.47Å; V1665-T1667 VanDerWaalsContact C-N 3.34Å; V1665-T1667 PolarHBondContact O-N 3.28Å; V1665-Y1668 WeakPolarHBondContact O-CB 3.49Å; V1665-Y1668 PolarHBondContact O-N 3.28Å; V1665-E1669 PolarHBondContact O-N 3.44Å; V1665-E1669 VanDerWaalsContact O-N 3.12Å |
| 1666 | L | 88.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 92.3 Ų | 92.3 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 179.5 | -64.8 | 173.4 | 0 | 0 | 0 | 112.4 | S1648 K1649 T1662 Y1668 D1670 | S1648-L1666 WeakPolarHBondContact OG-CD2 3.42Å; K1649-L1666 HydrophobicContact CD-CD2 4.49Å; K1649-L1666 HydrophobicContact CG-CD1 4.23Å; K1649-L1666 HydrophobicContact CG-CD2 3.48Å; K1649-L1666 VanDerWaalsContact CG-CD2 3.48Å; K1649-L1666 HydrophobicContact CG-CG 4.49Å; T1662-L1666 HydrophobicContact CG2-CD1 3.95Å; T1662-L1666 VanDerWaalsContact O-CG 3.26Å; T1662-L1666 WeakPolarHBondContact O-CG 3.38Å; T1662-L1666 PolarHBondContact O-N 3.42Å; T1662-L1666 VanDerWaalsContact O-N 3.08Å; L1666-Y1668 VanDerWaalsContact C-N 3.29Å; L1666-Y1668 PolarHBondContact O-N 3.5Å; L1666-D1670 WeakPolarHBondContact O-CB 3.3Å; L1666-D1670 PolarHBondContact O-N 3.38Å |
| 1667 | T | 86.3 | Confident | 81 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.5 | -33 | 176.6 | -51 | 0 | 0 | 0 | 0 | 112 | R1663 K1664 V1665 Q1671 | R1663-T1667 WeakPolarHBondContact O-CB 3.32Å; R1663-T1667 PolarHBondContact O-N 3.31Å; R1663-T1667 PolarHBondContact O-OG1 3.4Å; K1664-T1667 PolarHBondContact O-N 3.32Å; V1665-T1667 VanDerWaalsContact C-N 3.34Å; V1665-T1667 PolarHBondContact O-N 3.28Å; T1667-Q1671 WeakPolarHBondContact O-CG 2.82Å; T1667-Q1671 PolarHBondContact O-N 3.49Å |
| 1668 | Y | 88.7 | Confident | 79.8 | Confident | 142 Ų | 142 | 88.4 Ų | 88.4 | 56% | 0.557 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.6 | -47.8 | 177.4 | 177.5 | -98.9 | 0 | 0 | 0 | 112.2 | K1664 V1665 L1666 D1670 Q1671 K1672 | K1664-Y1668 PolarHBondContact O-N 3Å; V1665-Y1668 WeakPolarHBondContact O-CB 3.49Å; V1665-Y1668 PolarHBondContact O-N 3.28Å; L1666-Y1668 VanDerWaalsContact C-N 3.29Å; L1666-Y1668 PolarHBondContact O-N 3.5Å; Y1668-D1670 VanDerWaalsContact C-N 3.3Å; Y1668-D1670 PolarHBondContact O-N 2.91Å; Y1668-Q1671 WeakPolarHBondContact O-CB 3.45Å; Y1668-Q1671 PolarHBondContact O-N 3.16Å; Y1668-Q1671 VanDerWaalsContact O-N 3.07Å; Y1668-K1672 HydrophobicContact CE1-CD 4.27Å; Y1668-K1672 WeakPolarHBondContact O-CB 3.36Å; Y1668-K1672 PolarHBondContact O-N 3.08Å |
| 1669 | E | 87.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 91.9 Ų | 91.9 | 1% | 0.009 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.7 | -74.5 | -60.8 | 135.7 | 0 | 0 | 111.6 | Y1638 T1644 V1665 Q1671 K1672 S1673 | Y1638-E1669 HydrophobicContact CE2-CG 4.11Å; Y1638-E1669 PolarHBondContact OH-OE1 3.33Å; Y1638-E1669 VanDerWaalsContact OH-OE1 3.06Å; T1644-E1669 WeakPolarHBondContact CB-OE2 3.49Å; T1644-E1669 PolarHBondContact OG1-OE2 2.89Å; V1665-E1669 PolarHBondContact O-N 3.44Å; V1665-E1669 VanDerWaalsContact O-N 3.12Å; E1669-Q1671 PolarHBondContact O-N 3.23Å; E1669-K1672 PolarHBondContact O-N 3.09Å; E1669-K1672 WeakPolarHBondContact OE1-CD 3.33Å; E1669-K1672 IonicContact OE1-NZ 3.22Å; E1669-K1672 PolarHBondContact OE1-NZ 3.47Å; E1669-K1672 IonicContact OE2-NZ 2.85Å; E1669-K1672 PolarHBondContact OE2-NZ 3.34Å; E1669-S1673 WeakPolarHBondContact O-CB 3.42Å; E1669-S1673 PolarHBondContact O-N 3.13Å; E1669-S1673 PolarHBondContact O-OG 2.78Å; E1669-S1673 VanDerWaalsContact O-OG 3.09Å |
| 1670 | D | 83.2 | Confident | 76.7 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 31% | 0.305 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61 | -26.4 | 173.2 | -116.5 | 59.6 | 0 | 0 | 0 | 114.1 | Q1645 L1666 Y1668 K1674 | Q1645-D1670 PolarHBondContact NE2-OD1 2.94Å; L1666-D1670 WeakPolarHBondContact O-CB 3.3Å; L1666-D1670 PolarHBondContact O-N 3.38Å; Y1668-D1670 VanDerWaalsContact C-N 3.3Å; Y1668-D1670 PolarHBondContact O-N 2.91Å; D1670-K1674 VanDerWaalsContact O-CD 3.28Å; D1670-K1674 WeakPolarHBondContact O-CD 3.37Å; D1670-K1674 WeakPolarHBondContact O-CE 3.47Å; D1670-K1674 VanDerWaalsContact O-CG 3.24Å; D1670-K1674 WeakPolarHBondContact O-CG 3.4Å; D1670-K1674 PolarHBondContact O-NZ 3.21Å; D1670-K1674 IonicContact OD2-NZ 2.84Å; D1670-K1674 PolarHBondContact OD2-NZ 3.27Å |
| 1671 | Q | 83.5 | Confident | 74.8 | Confident | 118 Ų | 118 | 91.2 Ų | 91.2 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -83.9 | -47.8 | 174.4 | -74.5 | 173.8 | -2.7 | 0 | 0 | 110.7 | T1667 Y1668 E1669 S1673 K1674 T1675 | T1667-Q1671 WeakPolarHBondContact O-CG 2.82Å; T1667-Q1671 PolarHBondContact O-N 3.49Å; Y1668-Q1671 WeakPolarHBondContact O-CB 3.45Å; Y1668-Q1671 PolarHBondContact O-N 3.16Å; Y1668-Q1671 VanDerWaalsContact O-N 3.07Å; E1669-Q1671 PolarHBondContact O-N 3.23Å; Q1671-S1673 PolarHBondContact O-N 3.39Å; Q1671-K1674 PolarHBondContact O-N 2.73Å; Q1671-T1675 PolarHBondContact O-N 3.27Å; Q1671-T1675 PolarHBondContact O-OG1 3.33Å; Q1671-T1675 VanDerWaalsContact O-OG1 3.07Å |
| 1672 | K | 80.9 | Confident | 72.9 | Confident | 86 Ų | 86 | 94.9 Ų | 94.9 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.4 | -48.1 | 177.5 | 174.5 | 178.5 | 155.3 | -136.4 | 0 | 112.2 | Y1668 E1669 K1674 T1675 W1676 | Y1668-K1672 HydrophobicContact CE1-CD 4.27Å; Y1668-K1672 WeakPolarHBondContact O-CB 3.36Å; Y1668-K1672 PolarHBondContact O-N 3.08Å; E1669-K1672 PolarHBondContact O-N 3.09Å; E1669-K1672 WeakPolarHBondContact OE1-CD 3.33Å; E1669-K1672 IonicContact OE1-NZ 3.22Å; E1669-K1672 PolarHBondContact OE1-NZ 3.47Å; E1669-K1672 IonicContact OE2-NZ 2.85Å; E1669-K1672 PolarHBondContact OE2-NZ 3.34Å; K1672-K1674 PolarHBondContact O-N 3.19Å; K1672-T1675 PolarHBondContact O-N 3.05Å; K1672-W1676 PolarHBondContact O-N 3.37Å |
| 1673 | S | 72.6 | Confident | 70.4 | Confident | 49 Ų | 49 | 101.2 Ų | 101.2 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 176.6 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | E1669 Q1671 T1675 W1676 T1677 | E1669-S1673 WeakPolarHBondContact O-CB 3.42Å; E1669-S1673 PolarHBondContact O-N 3.13Å; E1669-S1673 PolarHBondContact O-OG 2.78Å; E1669-S1673 VanDerWaalsContact O-OG 3.09Å; Q1671-S1673 PolarHBondContact O-N 3.39Å; S1673-T1675 PolarHBondContact O-N 3.26Å; S1673-W1676 PolarHBondContact O-N 3.1Å; S1673-T1677 PolarHBondContact O-N 3.15Å; S1673-T1677 PolarHBondContact O-OG1 3.5Å |
| 1674 | K | 74.3 | Confident | 69.7 | Low | 114 Ų | 114 | 99.5 Ų | 99.5 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.5 | -68.9 | 175.8 | -168.9 | 106.8 | 0 | 112 | D1670 Q1671 K1672 W1676 T1677 I1678 | D1670-K1674 VanDerWaalsContact O-CD 3.28Å; D1670-K1674 WeakPolarHBondContact O-CD 3.37Å; D1670-K1674 WeakPolarHBondContact O-CE 3.47Å; D1670-K1674 VanDerWaalsContact O-CG 3.24Å; D1670-K1674 WeakPolarHBondContact O-CG 3.4Å; D1670-K1674 PolarHBondContact O-NZ 3.21Å; D1670-K1674 IonicContact OD2-NZ 2.84Å; D1670-K1674 PolarHBondContact OD2-NZ 3.27Å; Q1671-K1674 PolarHBondContact O-N 2.73Å; K1672-K1674 PolarHBondContact O-N 3.19Å; K1674-W1676 VanDerWaalsContact C-N 3.34Å; K1674-T1677 PolarHBondContact O-N 3.28Å; K1674-I1678 WeakPolarHBondContact O-CB 3.26Å; K1674-I1678 WeakPolarHBondContact O-CD1 3.48Å; K1674-I1678 VanDerWaalsContact O-CG1 3.23Å; K1674-I1678 WeakPolarHBondContact O-CG1 3.3Å; K1674-I1678 PolarHBondContact O-N 3.43Å |
| 1675 | T | 71.4 | Confident | 68.7 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | Q1671 K1672 S1673 R1679 | Q1671-T1675 PolarHBondContact O-N 3.27Å; Q1671-T1675 PolarHBondContact O-OG1 3.33Å; Q1671-T1675 VanDerWaalsContact O-OG1 3.07Å; K1672-T1675 PolarHBondContact O-N 3.05Å; S1673-T1675 PolarHBondContact O-N 3.26Å; T1675-R1679 PolarHBondContact O-N 3.34Å; T1675-R1679 VanDerWaalsContact O-N 3.14Å |
| 1676 | W | 62.6 | Low | 67.9 | Low | 179 Ų | 179 | 99.3 Ų | 99.3 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.9 | -48.9 | 175.1 | -168.2 | 73.7 | 0 | 0 | 0 | 111.7 | K1672 S1673 K1674 I1678 R1679 T1680 | K1672-W1676 PolarHBondContact O-N 3.37Å; S1673-W1676 PolarHBondContact O-N 3.1Å; K1674-W1676 VanDerWaalsContact C-N 3.34Å; W1676-I1678 VanDerWaalsContact C-N 3.28Å; W1676-I1678 PolarHBondContact O-N 3.14Å; W1676-R1679 WeakPolarHBondContact O-CA 3.35Å; W1676-R1679 WeakPolarHBondContact O-CB 3.39Å; W1676-R1679 PolarHBondContact O-N 3.32Å; W1676-T1680 PolarHBondContact O-N 3.07Å; W1676-T1680 PolarHBondContact O-OG1 3.15Å; W1676-T1680 VanDerWaalsContact O-OG1 3.09Å |
| 1677 | T | 60.7 | Low | 66.7 | Low | 90 Ų | 90 | 102.6 Ų | 102.6 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -32.2 | 177.8 | -43.7 | 0 | 0 | 0 | 0 | 113.3 | S1673 K1674 A1681 | S1673-T1677 PolarHBondContact O-N 3.15Å; S1673-T1677 PolarHBondContact O-OG1 3.5Å; K1674-T1677 PolarHBondContact O-N 3.28Å; T1677-A1681 WeakPolarHBondContact O-CB 3.39Å; T1677-A1681 PolarHBondContact O-N 3.39Å |
| 1678 | I | 62.4 | Low | 65.4 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 172.5 | -71.9 | 165 | 0 | 0 | 0 | 110.6 | K1674 W1676 A1681 M1682 | K1674-I1678 WeakPolarHBondContact O-CB 3.26Å; K1674-I1678 WeakPolarHBondContact O-CD1 3.48Å; K1674-I1678 VanDerWaalsContact O-CG1 3.23Å; K1674-I1678 WeakPolarHBondContact O-CG1 3.3Å; K1674-I1678 PolarHBondContact O-N 3.43Å; W1676-I1678 VanDerWaalsContact C-N 3.28Å; W1676-I1678 PolarHBondContact O-N 3.14Å; I1678-A1681 PolarHBondContact O-N 2.68Å; I1678-M1682 HydrophobicContact CG2-SD 3.85Å; I1678-M1682 VanDerWaalsContact O-CG 3.32Å; I1678-M1682 WeakPolarHBondContact O-CG 3.39Å; I1678-M1682 PolarHBondContact O-N 2.95Å |
| 1679 | R | 53.6 | Low | 63.9 | Low | 160 Ų | 160 | 102.2 Ų | 102.2 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -51.4 | 179.2 | -170.7 | 178.1 | -171 | 141.6 | 8.9 | 111.7 | T1675 W1676 A1681 M1682 E1683 | T1675-R1679 PolarHBondContact O-N 3.34Å; T1675-R1679 VanDerWaalsContact O-N 3.14Å; W1676-R1679 WeakPolarHBondContact O-CA 3.35Å; W1676-R1679 WeakPolarHBondContact O-CB 3.39Å; W1676-R1679 PolarHBondContact O-N 3.32Å; R1679-A1681 PolarHBondContact O-N 3.11Å; R1679-M1682 PolarHBondContact O-N 2.92Å; R1679-E1683 VanDerWaalsContact CG-OE1 3.26Å; R1679-E1683 WeakPolarHBondContact CG-OE1 3.4Å; R1679-E1683 IonicContact CZ-OE1 2.63Å; R1679-E1683 IonicContact NE-OE1 3Å; R1679-E1683 PolarHBondContact NE-OE1 2.77Å; R1679-E1683 IonicContact NH2-OE1 2.61Å; R1679-E1683 PolarHBondContact O-N 3.22Å |
| 1680 | T | 47.9 | Very low | 62.2 | Low | 72 Ų | 72 | 109.4 Ų | 109.4 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 12.7 | 177.1 | -29.5 | 0 | 0 | 0 | 0 | 113.9 | W1676 | W1676-T1680 PolarHBondContact O-N 3.07Å; W1676-T1680 PolarHBondContact O-OG1 3.15Å; W1676-T1680 VanDerWaalsContact O-OG1 3.09Å |
| 1681 | A | 42.1 | Very low | 60.6 | Low | 77 Ų | 77 | 113.4 Ų | 113.4 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 9.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1677 I1678 R1679 | T1677-A1681 WeakPolarHBondContact O-CB 3.39Å; T1677-A1681 PolarHBondContact O-N 3.39Å; I1678-A1681 PolarHBondContact O-N 2.68Å; R1679-A1681 PolarHBondContact O-N 3.11Å |
| 1682 | M | 43 | Very low | 58.7 | Low | 161 Ų | 161 | 113 Ų | 113 | 79% | 0.793 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -27.3 | 169.8 | -67.3 | -178 | 81.7 | 0 | 0 | 111.1 | I1678 R1679 | I1678-M1682 HydrophobicContact CG2-SD 3.85Å; I1678-M1682 VanDerWaalsContact O-CG 3.32Å; I1678-M1682 WeakPolarHBondContact O-CG 3.39Å; I1678-M1682 PolarHBondContact O-N 2.95Å; R1679-M1682 PolarHBondContact O-N 2.92Å |
| 1683 | E | 32.4 | Very low | 56.6 | Low | 167 Ų | 167 | 115.5 Ų | 115.5 | 78% | 0.78 | 59% | 0.587 | S | S | * | * | trans | -71.5 | 0 | 151.3 | -66.2 | 162.2 | -173 | 0 | 0 | 110.4 | R1679 | R1679-E1683 VanDerWaalsContact CG-OE1 3.26Å; R1679-E1683 WeakPolarHBondContact CG-OE1 3.4Å; R1679-E1683 IonicContact CZ-OE1 2.63Å; R1679-E1683 IonicContact NE-OE1 3Å; R1679-E1683 PolarHBondContact NE-OE1 2.77Å; R1679-E1683 IonicContact NH2-OE1 2.61Å; R1679-E1683 PolarHBondContact O-N 3.22Å |
Retrieved 1,683 of 1,683 residues in 1154.4 ms
(Link to these results)