| 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 | 37.2 | Very low | 41.3 | Very low | 243 Ų | 243 | 120.9 Ų | 120.9 | 100% | 1.197 | 84% | 0.835 | S | S | * | * | 0 | 98.9 | 0 | -76.5 | 162.5 | 170 | 0 | 0 | 106.7 | |||||
| 2 | A | 38.8 | Very low | 41.1 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | 84.5 | 98.5 | 113.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 3 | A | 41.5 | Very low | 41.1 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 74% | 0.744 | 84% | 0.836 | S | S | * | * | 95.5 | 104.9 | 79.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 4 | M | 48.8 | Very low | 41.9 | Very low | 188 Ų | 188 | 121.1 Ų | 121.1 | 93% | 0.926 | 84% | 0.841 | S | S | * | * | 88.3 | 134.8 | 106.9 | -69.7 | -69.4 | -173.4 | 0 | 0 | 113.5 | |||||
| 5 | G | 38.1 | Very low | 41.6 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | -68.9 | -150.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | P | 61.3 | Low | 41.4 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | cis | -148.4 | -170.6 | 11.8 | 46 | -25 | 0 | 0 | 0 | 115.4 | ||||
| 7 | E | 42.3 | Very low | 41.4 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | trans | 56.3 | 139.9 | 144.3 | -54.4 | -117.9 | 93.2 | 0 | 0 | 124 | ||||
| 8 | S | 41.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | 85 | 127.2 | 137.2 | 68.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 9 | G | 34.8 | Very low | 40.9 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | 100.8 | 106.1 | 111.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 10 | G | 34.4 | Very low | 40.3 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | 80.4 | 132.7 | 124.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 11 | G | 36 | Very low | 40.1 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | 119.6 | 101.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 12 | T | 39 | Very low | 40 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | 43.2 | 108.8 | 131.8 | 18.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 13 | G | 40.5 | Very low | 39.6 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | 124.1 | -171.3 | 75.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 14 | P | 52.5 | Low | 39.4 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | cis | -119.3 | 163.9 | -46.9 | 37.6 | -23.6 | 0 | 0 | 0 | 111.8 | ||||
| 15 | G | 37.9 | Very low | 38.7 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -174.8 | 65.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 16 | R | 37.8 | Very low | 38.4 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 45.5 | 100.8 | 143.7 | -74.7 | -178.7 | 89.6 | -167.4 | 7.9 | 117.6 | ||||
| 17 | T | 41.1 | Very low | 37.1 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | 71.9 | 133.2 | 90.7 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 18 | V | 37.8 | Very low | 37.6 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | cis | -177.8 | 168.5 | 25.2 | -112.1 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 19 | S | 36.3 | Very low | 37.3 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | cis | -173.1 | 151.2 | 0.4 | -113.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 20 | C | 28.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -138.2 | 132.9 | 143.3 | -85.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 21 | R | 37.2 | Very low | 37.2 | Very low | 239 Ų | 239 | 126.5 Ų | 126.5 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -75.8 | 152.1 | -175.5 | -72.2 | 175.3 | 160.8 | -170.9 | -5.5 | 112.4 | ||||
| 22 | V | 33.3 | Very low | 37.1 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -149.6 | 131.8 | 137.7 | 161.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | G | 32.2 | Very low | 36.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 74.4 | 158.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 24 | Q | 36.8 | Very low | 36.6 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | cis | -177.3 | 155.6 | -16.4 | -164.6 | 176.4 | 9.5 | 0 | 0 | 103.1 | ||||
| 25 | Q | 33.5 | Very low | 35.9 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 76.1 | 145.5 | 167 | -38.4 | -168.4 | 98 | 0 | 0 | 113.7 | ||||
| 26 | D | 32 | Very low | 35.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | cis | -160.5 | 156.2 | 28.8 | -98.3 | -59.8 | 0 | 0 | 0 | 109.8 | ||||
| 27 | G | 33.3 | Very low | 35.7 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | 85.9 | 157.4 | 128.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 28 | P | 54 | Low | 35.3 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -114.2 | -168.3 | -142.9 | 32.8 | -14.9 | 0 | 0 | 0 | 113.1 | ||||
| 29 | V | 33.5 | Very low | 35 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | 119.2 | 91.3 | 156.9 | -179.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 30 | T | 33.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | 97.1 | 127.6 | 119.3 | -53.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 31 | A | 34.7 | Very low | 35.1 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | trans | 93.1 | 107.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 32 | H | 34.1 | Very low | 35.8 | Very low | 178 Ų | 178 | 127.9 Ų | 127.9 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | 57.5 | 111.7 | 123 | -69.9 | -86 | 0 | 0 | 0 | 118.2 | |||||
| 33 | S | 34.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | 168.2 | 149.6 | 81.2 | -108 | 0 | 0 | 0 | 0 | 112 | |||||
| 34 | G | 35.2 | Very low | 35.7 | Very low | 68 Ų | 68 | 133.1 Ų | 133.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 93.6 | 82.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 35 | R | 36.5 | Very low | 35.5 | Very low | 218 Ų | 218 | 130.4 Ų | 130.4 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | 50.2 | 123.3 | 75.4 | -92.8 | -154.9 | 170.3 | -143.7 | 7.1 | 111.5 | |||||
| 36 | E | 35.5 | Very low | 36.4 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | cis | -151.1 | 144.6 | 28.3 | -74.5 | -76.4 | 57.5 | 0 | 0 | 112.9 | ||||
| 37 | L | 35.7 | Very low | 36.3 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | trans | -55.2 | 138.3 | 157.5 | -117.6 | 82.1 | 0 | 0 | 0 | 110.7 | ||||
| 38 | N | 32.9 | Very low | 36.1 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | 85.4 | 152.3 | 75.2 | -169.1 | 24.5 | 0 | 0 | 0 | 113.7 | |||||
| 39 | Q | 33.1 | Very low | 35.2 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | trans | 80.5 | 146 | 156.3 | -44.8 | -169.6 | 116.8 | 0 | 0 | 116 | ||||
| 40 | Q | 31.2 | Very low | 35.1 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | cis | -174.1 | 154.2 | -13.7 | -105 | 141.3 | 18.1 | 0 | 0 | 104 | ||||
| 41 | T | 34.1 | Very low | 35 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -17 | 175.6 | 153.2 | 33 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 42 | P | 53.4 | Low | 34.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | cis | -139.4 | -172 | -48.6 | 39.1 | -18.9 | 0 | 0 | 0 | 113.5 | ||||
| 43 | L | 33.9 | Very low | 34.9 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | 74.8 | 120.2 | 158.9 | -58.9 | 173.4 | 0 | 0 | 0 | 121.4 | ||||
| 44 | H | 29 | Very low | 34.9 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | 177.4 | 154 | 106.2 | -121.1 | -99.1 | 0 | 0 | 0 | 113.4 | |||||
| 45 | T | 32.4 | Very low | 34.9 | Very low | 112 Ų | 112 | 140 Ų | 140 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -66.5 | -163.3 | -174.6 | 53.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 46 | P | 52.1 | Low | 34.6 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | cis | -137.6 | 175.5 | -17.2 | 24 | 0.7 | 0 | 0 | 0 | 116.4 | ||||
| 47 | A | 29.4 | Very low | 34.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 155.2 | 142.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 48 | S | 28.9 | Very low | 34.7 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | cis | -171.3 | 163.9 | -3 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 49 | V | 35.3 | Very low | 35 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 92.8 | 108.8 | 154.5 | -158.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 50 | Q | 32.7 | Very low | 35.1 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 52.5 | 120.8 | 143.1 | -64.9 | 177.4 | -0.4 | 0 | 0 | 121.6 | ||||
| 51 | A | 31.7 | Very low | 35.3 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | 66.1 | 131.7 | 73.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 52 | E | 31.7 | Very low | 35.3 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -154.8 | 138.5 | 8.7 | -106.8 | -158.7 | 99.7 | 0 | 0 | 106.4 | ||||
| 53 | K | 34.8 | Very low | 34.7 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | 82.5 | 127.2 | 90.6 | -146.2 | 176.2 | -170.4 | 177.5 | 0 | 117.5 | |||||
| 54 | A | 33.4 | Very low | 34.8 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 113.3 | 139.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 55 | F | 36.1 | Very low | 34.9 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 98% | 0.978 | 81% | 0.809 | S | S | * | * | trans | -64.8 | 158.7 | -175.8 | -89.4 | -115.2 | 0 | 0 | 0 | 115.9 | ||||
| 56 | G | 30.1 | Very low | 35 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | 173.9 | 128.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 57 | H | 36.9 | Very low | 34.2 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | trans | -55.9 | 158.8 | 178.2 | -82 | -112.7 | 0 | 0 | 0 | 115.9 | ||||
| 58 | H | 36 | Very low | 34.5 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | 179.2 | 139.1 | 119.4 | -97 | -72 | 0 | 0 | 0 | 114.8 | |||||
| 59 | H | 38.3 | Very low | 34.7 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -58.6 | 147.4 | 168.9 | -104.8 | -108.7 | 0 | 0 | 0 | 114 | ||||
| 60 | R | 35.4 | Very low | 34.6 | Very low | 241 Ų | 241 | 153.3 Ų | 153.3 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -153.1 | 121.2 | 144.2 | -147.3 | 174.3 | -168.4 | -121.6 | 5.4 | 113.9 | ||||
| 61 | T | 36.6 | Very low | 34.8 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | trans | -65.3 | 150.3 | 168.8 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 62 | K | 33.8 | Very low | 35.9 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | -170.7 | 142.4 | 122.3 | -150.6 | 160.5 | 176.8 | 176.7 | 0 | 113.7 | |||||
| 63 | T | 39.6 | Very low | 35.8 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | trans | -88.6 | 149.5 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 64 | S | 37 | Very low | 35.9 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | 178.2 | 123.9 | 146.8 | 51.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 65 | G | 31.7 | Very low | 35.8 | Very low | 81 Ų | 81 | 150.5 Ų | 150.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | cis | 95.4 | 78.1 | 30.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 66 | W | 33.1 | Very low | 35.8 | Very low | 245 Ų | 245 | 148.3 Ų | 148.3 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | trans | -134.8 | 112 | 168.6 | -129.6 | -33.9 | 0 | 0 | 0 | 109.4 | ||||
| 67 | G | 35.1 | Very low | 36 | Very low | 60 Ų | 60 | 147.8 Ų | 147.8 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | trans | -105.4 | 159.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 68 | N | 35.8 | Very low | 35.9 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -164.5 | 136.6 | 147.9 | -86.9 | -39.6 | 0 | 0 | 0 | 110.4 | ||||
| 69 | F | 34.1 | Very low | 36 | Very low | 210 Ų | 210 | 142 Ų | 142 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -99 | 145 | 175.3 | -75.1 | -90.6 | 0 | 0 | 0 | 111.2 | ||||
| 70 | A | 33.5 | Very low | 36.1 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 48.1 | 119.3 | 141 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 71 | A | 35.7 | Very low | 36.1 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | 29.5 | 178.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 72 | P | 54.7 | Low | 36.5 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | cis | -138 | 171.8 | -11.4 | 37.8 | -18.3 | 0 | 0 | 0 | 116.5 | ||||
| 73 | L | 30.3 | Very low | 36.6 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | 155.3 | 118 | 131.8 | -92.1 | 169.5 | 0 | 0 | 0 | 116.5 | ||||
| 74 | Q | 37.2 | Very low | 36.8 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 27.8 | 128.6 | 137.1 | -56.4 | -179.8 | 38 | 0 | 0 | 123.3 | ||||
| 75 | N | 31.2 | Very low | 37.4 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | -178 | 160.6 | 97.8 | -152.5 | 15.3 | 0 | 0 | 0 | 113.7 | |||||
| 76 | M | 36.7 | Very low | 38.5 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -53.5 | 160.9 | -169.5 | -59.4 | 161 | 177.3 | 0 | 0 | 118 | ||||
| 77 | G | 33.1 | Very low | 39.2 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 177 | -174.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 78 | T | 35.8 | Very low | 39.4 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 98% | 0.982 | 80% | 0.804 | S | S | * | * | trans | 85.6 | 141.3 | 172.8 | 70.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 79 | A | 38 | Very low | 39.8 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -116.6 | 144.3 | -143.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 80 | T | 39.7 | Very low | 40 | Very low | 145 Ų | 145 | 134 Ų | 134 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -141 | 115.2 | 143.3 | 45.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 81 | H | 34.8 | Very low | 40.5 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -86.7 | 118.8 | -174.5 | -176 | -99.3 | 0 | 0 | 0 | 110 | S83 | H81-S83 PolarHBondContact CE1-OG 3.17Å; H81-S83 PolarHBondContact ND1-OG 3.32Å; H81-S83 PolarHBondContact O-N 3.07Å | ||
| 82 | L | 45.1 | Very low | 40.9 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 101.8 | 166.5 | -81.2 | 143 | 0 | 0 | 0 | 108.9 | ||||
| 83 | S | 37.2 | Very low | 40.3 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 57% | 0.573 | 80% | 0.804 | S | S | * | * | trans | -91.3 | 104.2 | 173 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | H81 | H81-S83 PolarHBondContact CE1-OG 3.17Å; H81-S83 PolarHBondContact ND1-OG 3.32Å; H81-S83 PolarHBondContact O-N 3.07Å | ||
| 84 | S | 44 | Very low | 40.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.2 | 156.9 | -71.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 85 | M | 48.5 | Very low | 40.8 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 138 | -178.7 | -76.9 | -76.7 | 176.4 | 0 | 0 | 112.1 | ||
| 86 | P | 54 | Low | 41.6 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 161.9 | 171.7 | 33 | -32.7 | 0 | 0 | 0 | 112.7 | ||
| 87 | P | 48.2 | Very low | 41.9 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.8 | 176.2 | 28.9 | -32.6 | 0 | 0 | 0 | 112.4 | ||
| 88 | R | 40.8 | Very low | 43 | Very low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143 | -169.6 | -59.4 | 176.7 | -170.9 | -153.4 | 1 | 111.7 | D90 | R88-D90 PolarHBondContact O-N 2.97Š|
| 89 | G | 43.9 | Very low | 43.8 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 90 | D | 37.9 | Very low | 44.6 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 133.7 | 146.9 | -90.5 | -50.7 | 0 | 0 | 0 | 107.6 | R88 | R88-D90 PolarHBondContact O-N 2.97Š|
| 91 | T | 43.4 | Very low | 45.5 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -51 | 130.3 | 169.5 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | Y93 | T91-Y93 PolarHBondContact O-N 2.98Š|
| 92 | P | 43.7 | Very low | 46.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | trans | -72.6 | 107.7 | 175 | 29.1 | -30.4 | 0 | 0 | 0 | 108.5 | S94 | P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.34Å | ||
| 93 | Y | 43.8 | Very low | 48.1 | Very low | 220 Ų | 220 | 126.2 Ų | 126.2 | 86% | 0.863 | 69% | 0.687 | S | S | * | * | trans | -64.4 | 102 | 154.6 | -163 | -98.2 | 0 | 0 | 0 | 105.7 | T91 F95 | T91-Y93 PolarHBondContact O-N 2.98Å; Y93-F95 PolarHBondContact O-N 3.17Å | ||
| 94 | S | 37.8 | Very low | 50.2 | Low | 83 Ų | 83 | 126.9 Ų | 126.9 | 58% | 0.58 | 68% | 0.684 | S | S | * | * | trans | -63.2 | 96.7 | -177.8 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | P92 R96 | P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.34Å; S94-R96 PolarHBondContact O-N 3.18Å | ||
| 95 | F | 39.5 | Very low | 52 | Low | 178 Ų | 178 | 127.1 Ų | 127.1 | 78% | 0.781 | 67% | 0.672 | S | S | * | * | trans | -72.6 | 85.9 | 162.1 | -138.4 | -88.9 | 0 | 0 | 0 | 105.9 | Y93 S97 | Y93-F95 PolarHBondContact O-N 3.17Å; F95-S97 PolarHBondContact O-N 3.47Å | ||
| 96 | R | 47.8 | Very low | 53.5 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | trans | -58.3 | 126.9 | 163.9 | -77.2 | -83 | -175.7 | -161.1 | 1.3 | 106.4 | S94 V101 | S94-R96 PolarHBondContact O-N 3.18Å; R96-V101 HydrophobicContact CB-CG2 3.4Å; R96-V101 HydrophobicContact CG-CG2 4.24Å | ||
| 97 | S | 43.2 | Very low | 55.3 | Low | 65 Ų | 65 | 122.6 Ų | 122.6 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | -50 | 134.3 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | F95 E99 S100 | F95-S97 PolarHBondContact O-N 3.47Å; S97-E99 PolarHBondContact O-N 3Å; S97-S100 PolarHBondContact N-OG 2.84Å; S97-S100 PolarHBondContact O-N 2.92Å; S97-S100 PolarHBondContact O-OG 2.79Å | ||
| 98 | P | 55.4 | Low | 57.3 | Low | 99 Ų | 99 | 118.6 Ų | 118.6 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -50.2 | -32.7 | 176.4 | -26.6 | 33.9 | 0 | 0 | 0 | 112.8 | S100 | P98-S100 PolarHBondContact O-N 2.8Å |
| 99 | E | 53.3 | Low | 59.4 | Low | 164 Ų | 164 | 109.6 Ų | 109.6 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.3 | -23.5 | 179.1 | -139.8 | 89.2 | 170.5 | 0 | 0 | 114.2 | S97 | S97-E99 PolarHBondContact O-N 3Å |
| 100 | S | 53.8 | Low | 61.5 | Low | 46 Ų | 46 | 111.1 Ų | 111.1 | 32% | 0.322 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -91.2 | -9 | -176.5 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | S97 P98 | S97-S100 PolarHBondContact N-OG 2.84Å; S97-S100 PolarHBondContact O-N 2.92Å; S97-S100 PolarHBondContact O-OG 2.79Å; P98-S100 PolarHBondContact O-N 2.8Å |
| 101 | V | 58.9 | Low | 63.8 | Low | 40 Ų | 40 | 107.7 Ų | 107.7 | 24% | 0.242 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -92.8 | -32.3 | -175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | R96 M103 E105 | R96-V101 HydrophobicContact CB-CG2 3.4Å; R96-V101 HydrophobicContact CG-CG2 4.24Å; V101-M103 PolarHBondContact O-N 2.72Å; V101-E105 HydrophobicContact CG1-CG 3.77Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.27Å; V101-E105 VanDerWaalsContact O-CB 3.27Å; V101-E105 WeakPolarHBondContact O-CB 3.2Å; V101-E105 VanDerWaalsContact O-CG 3.24Å; V101-E105 WeakPolarHBondContact O-CG 3.42Å; V101-E105 PolarHBondContact O-N 3.45Å |
| 102 | E | 63.1 | Low | 65.7 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 59% | 0.593 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -39.5 | -173.4 | -171.7 | 167.3 | -176.1 | 0 | 0 | 113.8 | I106 | E102-I106 HydrophobicContact CG-CD1 4.01Å; E102-I106 VanDerWaalsContact O-CG1 3.3Å; E102-I106 WeakPolarHBondContact O-CG1 3.39Å; E102-I106 PolarHBondContact O-N 2.9Å; E102-I106 VanDerWaalsContact O-N 3.17Å |
| 103 | M | 71.8 | Confident | 67.5 | Low | 133 Ų | 133 | 105.2 Ų | 105.2 | 66% | 0.655 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -40.9 | -179.6 | -170.8 | 65.8 | 81.1 | 0 | 0 | 111.8 | V101 M107 | V101-M103 PolarHBondContact O-N 2.72Å; M103-M107 HydrophobicContact CG-CE 4.09Å; M103-M107 WeakPolarHBondContact O-CG 3.27Å; M103-M107 PolarHBondContact O-N 3.21Å |
| 104 | D | 82.1 | Confident | 69.1 | Low | 96 Ų | 96 | 99 Ų | 99 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -78.2 | -31 | -178.6 | -72.3 | -12.9 | 0 | 0 | 0 | 111.8 | M107 A108 | D104-M107 WeakPolarHBondContact OD1-CE 3.38Å; D104-A108 WeakPolarHBondContact O-CA 3.21Å; D104-A108 WeakPolarHBondContact O-CB 3.44Å; D104-A108 PolarHBondContact O-N 3.28Å |
| 105 | E | 81.1 | Confident | 70.9 | Confident | 126 Ų | 126 | 101.1 Ų | 101.1 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.4 | -39.4 | 175.5 | -78.6 | -177.5 | 174.2 | 0 | 0 | 112.5 | V101 A108 A109 | V101-E105 HydrophobicContact CG1-CG 3.77Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.27Å; V101-E105 VanDerWaalsContact O-CB 3.27Å; V101-E105 WeakPolarHBondContact O-CB 3.2Å; V101-E105 VanDerWaalsContact O-CG 3.24Å; V101-E105 WeakPolarHBondContact O-CG 3.42Å; V101-E105 PolarHBondContact O-N 3.45Å; E105-A108 PolarHBondContact O-N 2.83Å; E105-A109 VanDerWaalsContact O-CB 3.22Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.49Å |
| 106 | I | 80.9 | Confident | 72.2 | Confident | 93 Ų | 93 | 97 Ų | 97 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 176.1 | -64.8 | 168.2 | 0 | 0 | 0 | 110.3 | E102 A109 M110 | E102-I106 HydrophobicContact CG-CD1 4.01Å; E102-I106 VanDerWaalsContact O-CG1 3.3Å; E102-I106 WeakPolarHBondContact O-CG1 3.39Å; E102-I106 PolarHBondContact O-N 2.9Å; E102-I106 VanDerWaalsContact O-N 3.17Å; I106-A109 PolarHBondContact O-N 3.38Å; I106-M110 HydrophobicContact CG2-CE 4.37Å; I106-M110 WeakPolarHBondContact O-CG 3.43Å; I106-M110 PolarHBondContact O-N 2.86Å |
| 107 | M | 90.4 | Very high | 72 | Confident | 88 Ų | 88 | 93.1 Ų | 93.1 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.3 | -73.8 | -167.3 | -63.1 | 0 | 0 | 112 | M103 D104 A109 M110 V111 | M103-M107 HydrophobicContact CG-CE 4.09Å; M103-M107 WeakPolarHBondContact O-CG 3.27Å; M103-M107 PolarHBondContact O-N 3.21Å; D104-M107 WeakPolarHBondContact OD1-CE 3.38Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-A109 PolarHBondContact O-N 2.97Å; M107-M110 HydrophobicContact CG-CE 4.18Å; M107-M110 PolarHBondContact O-N 3.42Å; M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.48Å; M107-V111 PolarHBondContact O-N 2.89Å |
| 108 | A | 90.3 | Very high | 72.3 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D104 E105 V111 L112 | D104-A108 WeakPolarHBondContact O-CA 3.21Å; D104-A108 WeakPolarHBondContact O-CB 3.44Å; D104-A108 PolarHBondContact O-N 3.28Å; E105-A108 PolarHBondContact O-N 2.83Å; A108-V111 PolarHBondContact O-N 3.47Å; A108-L112 VanDerWaalsContact O-CB 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.23Å; A108-L112 VanDerWaalsContact O-CG 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.4Å; A108-L112 PolarHBondContact O-N 3.5Å |
| 109 | A | 85.4 | Confident | 71.8 | Confident | 50 Ų | 50 | 95.9 Ų | 95.9 | 41% | 0.413 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E105 I106 M107 V111 L112 T113 | E105-A109 VanDerWaalsContact O-CB 3.22Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.49Å; I106-A109 PolarHBondContact O-N 3.38Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-A109 PolarHBondContact O-N 2.97Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 2.99Å; A109-L112 PolarHBondContact O-N 3.43Å; A109-T113 WeakPolarHBondContact O-CB 3.41Å; A109-T113 PolarHBondContact O-N 3.24Å; A109-T113 PolarHBondContact O-OG1 3.36Å |
| 110 | M | 87.1 | Confident | 71.3 | Confident | 111 Ų | 111 | 93.9 Ų | 93.9 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 176.8 | -71.3 | -170.5 | -59.3 | 0 | 0 | 112.9 | I106 M107 S114 | I106-M110 HydrophobicContact CG2-CE 4.37Å; I106-M110 WeakPolarHBondContact O-CG 3.43Å; I106-M110 PolarHBondContact O-N 2.86Å; M107-M110 HydrophobicContact CG-CE 4.18Å; M107-M110 PolarHBondContact O-N 3.42Å; M110-S114 WeakPolarHBondContact O-CB 3.48Å; M110-S114 PolarHBondContact O-N 3.25Å; M110-S114 PolarHBondContact O-OG 3.5Å |
| 111 | V | 86.8 | Confident | 70.9 | Confident | 83 Ų | 83 | 97.6 Ų | 97.6 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -46 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | M107 A108 A109 T113 S114 L115 | M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.48Å; M107-V111 PolarHBondContact O-N 2.89Å; A108-V111 PolarHBondContact O-N 3.47Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 2.99Å; V111-T113 VanDerWaalsContact C-N 3.31Å; V111-T113 PolarHBondContact O-N 3.26Å; V111-S114 CarbonylContact O-C 3.45Å; V111-S114 WeakPolarHBondContact O-CB 3.49Å; V111-S114 PolarHBondContact O-N 2.98Å; V111-S114 VanDerWaalsContact O-N 3.14Å; V111-L115 HydrophobicContact CG1-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 VanDerWaalsContact O-CG 3.29Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.44Å |
| 112 | L | 84.1 | Confident | 69.9 | Low | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.4 | -39.3 | 176 | -75.7 | 168.5 | 0 | 0 | 0 | 111.7 | A108 A109 L115 S116 | A108-L112 VanDerWaalsContact O-CB 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.23Å; A108-L112 VanDerWaalsContact O-CG 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.4Å; A108-L112 PolarHBondContact O-N 3.5Å; A109-L112 PolarHBondContact O-N 3.43Å; L112-L115 PolarHBondContact O-N 3.4Å; L112-S116 WeakPolarHBondContact O-CB 3.06Å; L112-S116 PolarHBondContact O-N 2.93Å; L112-S116 PolarHBondContact O-OG 3.48Å |
| 113 | T | 80.6 | Confident | 68.7 | Low | 83 Ų | 83 | 102.6 Ų | 102.6 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -44.4 | 172.8 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | A109 V111 L115 S116 C117 | A109-T113 WeakPolarHBondContact O-CB 3.41Å; A109-T113 PolarHBondContact O-N 3.24Å; A109-T113 PolarHBondContact O-OG1 3.36Å; V111-T113 VanDerWaalsContact C-N 3.31Å; V111-T113 PolarHBondContact O-N 3.26Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L115 PolarHBondContact O-N 3.49Å; T113-S116 WeakPolarHBondContact CA-OG 3.4Å; T113-S116 PolarHBondContact O-N 3.05Å; T113-S116 PolarHBondContact O-OG 2.93Å; T113-C117 PolarHBondContact O-N 3.26Å |
| 114 | S | 78.2 | Confident | 67 | Low | 89 Ų | 89 | 101.9 Ų | 101.9 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.8 | -32.6 | 177.2 | -57 | 0 | 0 | 0 | 0 | 113.1 | M110 V111 | M110-S114 WeakPolarHBondContact O-CB 3.48Å; M110-S114 PolarHBondContact O-N 3.25Å; M110-S114 PolarHBondContact O-OG 3.5Å; V111-S114 CarbonylContact O-C 3.45Å; V111-S114 WeakPolarHBondContact O-CB 3.49Å; V111-S114 PolarHBondContact O-N 2.98Å; V111-S114 VanDerWaalsContact O-N 3.14Å |
| 115 | L | 74.9 | Confident | 65.2 | Low | 128 Ų | 128 | 103 Ų | 103 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78 | -27.1 | 174.7 | -66.6 | 174.2 | 0 | 0 | 0 | 112.7 | V111 L112 T113 | V111-L115 HydrophobicContact CG1-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 VanDerWaalsContact O-CG 3.29Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.44Å; L112-L115 PolarHBondContact O-N 3.4Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L115 PolarHBondContact O-N 3.49Å |
| 116 | S | 66 | Low | 63 | Low | 90 Ų | 90 | 105.1 Ų | 105.1 | 63% | 0.629 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.9 | -17 | 178.3 | 71.4 | 0 | 0 | 0 | 0 | 113.9 | L112 T113 | L112-S116 WeakPolarHBondContact O-CB 3.06Å; L112-S116 PolarHBondContact O-N 2.93Å; L112-S116 PolarHBondContact O-OG 3.48Å; T113-S116 WeakPolarHBondContact CA-OG 3.4Å; T113-S116 PolarHBondContact O-N 3.05Å; T113-S116 PolarHBondContact O-OG 2.93Å |
| 117 | C | 45.2 | Very low | 60.7 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 57% | 0.568 | 64% | 0.638 | S | S | * | * | trans | -107.2 | 78 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | T113 P119 | T113-C117 PolarHBondContact O-N 3.26Å; C117-P119 WeakPolarHBondContact O-CD 3.49Å | ||
| 118 | S | 48.3 | Very low | 58.1 | Low | 108 Ų | 108 | 108.6 Ų | 108.6 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | trans | -57 | 119.4 | 160.1 | -73 | 0 | 0 | 0 | 0 | 107.9 | V120 | S118-V120 PolarHBondContact O-N 2.7Š| ||
| 119 | P | 46.1 | Very low | 55.9 | Low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | trans | -66.9 | 108.3 | 174.9 | 26.8 | -30.5 | 0 | 0 | 0 | 107.4 | C117 V121 | C117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-V121 VanDerWaalsContact C-N 3.31Å; P119-V121 PolarHBondContact O-N 2.82Å | ||
| 120 | V | 42.6 | Very low | 53.3 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | trans | -59.1 | 104.5 | 157.5 | 131.2 | 0 | 0 | 0 | 0 | 105.3 | S118 Q122 | S118-V120 PolarHBondContact O-N 2.7Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 HydrophobicContact CG1-CG 3.82Å; V120-Q122 PolarHBondContact O-N 2.75Å | ||
| 121 | V | 44.5 | Very low | 51.5 | Low | 125 Ų | 125 | 113.3 Ų | 113.3 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | trans | -64.5 | 98.6 | 170.2 | 175.8 | 0 | 0 | 0 | 0 | 106.2 | P119 S123 | P119-V121 VanDerWaalsContact C-N 3.31Å; P119-V121 PolarHBondContact O-N 2.82Å; V121-S123 PolarHBondContact O-N 3.19Å | ||
| 122 | Q | 37.8 | Very low | 49.1 | Very low | 173 Ų | 173 | 114.3 Ų | 114.3 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | trans | -82.5 | 100.8 | 161.6 | -73.5 | -170.8 | 0.8 | 0 | 0 | 107.8 | V120 | V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 HydrophobicContact CG1-CG 3.82Å; V120-Q122 PolarHBondContact O-N 2.75Å | ||
| 123 | S | 38.6 | Very low | 46.7 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 134.6 | 162.5 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | V121 | V121-S123 PolarHBondContact O-N 3.19Š|
| 124 | P | 35.3 | Very low | 44.8 | Very low | 119 Ų | 119 | 113.8 Ų | 113.8 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 154.4 | 168.2 | -14.7 | 29.7 | 0 | 0 | 0 | 112 | ||
| 125 | P | 44.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 171.8 | -173.3 | 36.1 | -34.4 | 0 | 0 | 0 | 112.6 | ||
| 126 | Q | 35.3 | Very low | 41 | Very low | 172 Ų | 172 | 113.4 Ų | 113.4 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | 84.1 | 129.5 | 164.4 | -74.5 | -90.7 | -11.3 | 0 | 0 | 115.4 | ||||
| 127 | T | 33.3 | Very low | 39.6 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | cis | -164.9 | 148 | 17.1 | -35.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 128 | D | 35.6 | Very low | 39.3 | Very low | 140 Ų | 140 | 116 Ų | 116 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -81 | 140.2 | 163.3 | -169.8 | -107.9 | 0 | 0 | 0 | 109.5 | ||||
| 129 | P | 42.7 | Very low | 38.9 | Very low | 118 Ų | 118 | 117.1 Ų | 117.1 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | -139.2 | 140.9 | 98.1 | 20.2 | 1.9 | 0 | 0 | 0 | 114.3 | |||||
| 130 | G | 31.8 | Very low | 39.1 | Very low | 59 Ų | 59 | 120.2 Ų | 120.2 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -66 | -153.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 131 | P | 50.3 | Low | 39.1 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | cis | -124.9 | 165.6 | -11.3 | 39.2 | -23.9 | 0 | 0 | 0 | 113.5 | ||||
| 132 | A | 35.2 | Very low | 38.8 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | 150.3 | 128.3 | 140 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 133 | G | 33.4 | Very low | 38.8 | Very low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 99.9 | 96.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 134 | S | 40.7 | Very low | 38.7 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 49.7 | 132.4 | 123 | -60.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 135 | S | 36.9 | Very low | 38.7 | Very low | 99 Ų | 99 | 114.7 Ų | 114.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | -172.6 | 151.4 | 14.6 | -79.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 136 | S | 37 | Very low | 38.7 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 59.7 | 150.6 | 140.9 | 64.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 137 | S | 35.8 | Very low | 39.2 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | 173.7 | 133.6 | -6.4 | 50.2 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 138 | V | 40.2 | Very low | 39.8 | Very low | 129 Ų | 129 | 117.5 Ų | 117.5 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | -178.2 | 122.2 | 79.5 | -73.4 | 0 | 0 | 0 | 0 | 104.1 | |||||
| 139 | D | 38.9 | Very low | 40 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 43.8 | 109.3 | 79.9 | -148.8 | -90.1 | 0 | 0 | 0 | 115.6 | |||||
| 140 | M | 50.3 | Low | 39.9 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -157.5 | 113.4 | 131 | -100.2 | -64.9 | 148 | 0 | 0 | 109 | ||||
| 141 | E | 42.9 | Very low | 40 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 170.4 | 175.6 | 174 | 165 | 72.7 | 0 | 0 | 112.8 | ||||
| 142 | S | 38.1 | Very low | 39.5 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 96.2 | 125.1 | 155.7 | -112.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 143 | G | 37.5 | Very low | 39.8 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | cis | 154.2 | 144.6 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 144 | G | 37 | Very low | 39.8 | Very low | 88 Ų | 88 | 119.5 Ų | 119.5 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | 91.7 | 128.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 145 | G | 35.8 | Very low | 40 | Very low | 74 Ų | 74 | 124.1 Ų | 124.1 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 149.5 | 54.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 146 | E | 45.1 | Very low | 40.1 | Very low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -50.6 | 131.8 | 158.6 | 60.4 | -146.5 | 70.9 | 0 | 0 | 112.4 | ||||
| 147 | L | 44 | Very low | 40.1 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -156.4 | 106.9 | 145.6 | -52.8 | 176.9 | 0 | 0 | 0 | 107.4 | ||||
| 148 | S | 46.1 | Very low | 40.4 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -66.9 | 137.2 | 160.4 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 149 | D | 41.4 | Very low | 40.1 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -145.1 | 128.9 | 144.4 | -94.7 | -36.9 | 0 | 0 | 0 | 111.1 | ||||
| 150 | S | 39.4 | Very low | 40.3 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -79.5 | 139.9 | -175.6 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 151 | G | 33.7 | Very low | 39.4 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -152.2 | 63.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 152 | S | 39.9 | Very low | 39 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 134 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 153 | S | 41.5 | Very low | 38.8 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 167.5 | 141.8 | 117.9 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 154 | G | 34.7 | Very low | 38.8 | Very low | 55 Ų | 55 | 131.5 Ų | 131.5 | 57% | 0.567 | 80% | 0.797 | S | S | * | * | trans | 143 | 43.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | W156 | G154-W156 PolarHBondContact O-NE1 2.78Å; G154-W156 VanDerWaalsContact O-NE1 3.12Å | ||
| 155 | Y | 43.7 | Very low | 39 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 33.2 | 100.4 | 134.5 | -173.2 | -98.3 | 0 | 0 | 0 | 120.1 | ||||
| 156 | W | 40.1 | Very low | 38.9 | Very low | 243 Ų | 243 | 134.3 Ų | 134.3 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -151.1 | 74 | 155.5 | -40.3 | 47.2 | 0 | 0 | 0 | 107.1 | G154 W158 | G154-W156 PolarHBondContact O-NE1 2.78Å; G154-W156 VanDerWaalsContact O-NE1 3.12Å; W156-W158 PolarHBondContact O-N 2.93Å | ||
| 157 | S | 36.6 | Very low | 38.7 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 52% | 0.524 | 79% | 0.791 | S | S | . | * | trans | -68.7 | 112.7 | 168.3 | -163.7 | 0 | 0 | 0 | 0 | 107.6 | D159 | S157-D159 WeakPolarHBondContact CB-OD2 3.11Å; S157-D159 PolarHBondContact O-N 2.89Å; S157-D159 PolarHBondContact OG-OD2 3.16Å | ||
| 158 | W | 41.1 | Very low | 38.3 | Very low | 238 Ų | 238 | 128.8 Ų | 128.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -88.3 | 88.7 | 155.8 | -98.9 | -28 | 0 | 0 | 0 | 106.9 | W156 H160 | W156-W158 PolarHBondContact O-N 2.93Å; W158-H160 PolarHBondContact O-N 3Å | ||
| 159 | D | 34.7 | Very low | 37.9 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -67.9 | 97.2 | 163.1 | -72.8 | -82.3 | 0 | 0 | 0 | 108.6 | S157 | S157-D159 WeakPolarHBondContact CB-OD2 3.11Å; S157-D159 PolarHBondContact O-N 2.89Å; S157-D159 PolarHBondContact OG-OD2 3.16Å | ||
| 160 | H | 42.2 | Very low | 37.4 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -105 | 103.6 | 152 | -74.3 | -52.5 | 0 | 0 | 0 | 107 | W158 N162 | W158-H160 PolarHBondContact O-N 3Å; H160-N162 PolarHBondContact O-N 3.25Å | ||
| 161 | G | 32.7 | Very low | 37.3 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -54.1 | 126.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G163 | G161-G163 PolarHBondContact O-N 3.34Š| ||
| 162 | N | 34.5 | Very low | 37.4 | Very low | 160 Ų | 160 | 130 Ų | 130 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -62.7 | 98 | 164.5 | -84 | 79 | 0 | 0 | 0 | 110.1 | H160 | H160-N162 PolarHBondContact O-N 3.25Š| ||
| 163 | G | 34.1 | Very low | 37.4 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -99 | 97.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G161 | G161-G163 PolarHBondContact O-N 3.34Š| ||
| 164 | S | 36.2 | Very low | 37.3 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -61.3 | 143 | 171.1 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 165 | P | 41.4 | Very low | 37.7 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -86.4 | 123.7 | 164.8 | 32.5 | -26.1 | 0 | 0 | 0 | 109.1 | ||||
| 166 | A | 34.5 | Very low | 37.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -136.1 | 158 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 167 | P | 40.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -91.7 | 161.2 | -133 | 35.2 | -36.8 | 0 | 0 | 0 | 115.5 | ||||
| 168 | S | 34.2 | Very low | 38 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 11.9 | 145 | 158.8 | -47.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 169 | P | 38.8 | Very low | 37.9 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -108.1 | 141.1 | 141.7 | 34.2 | -28.2 | 0 | 0 | 0 | 112.4 | ||||
| 170 | S | 31.8 | Very low | 38.5 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 141.8 | -177.7 | 41.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 171 | V | 37.2 | Very low | 38.5 | Very low | 125 Ų | 125 | 120 Ų | 120 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | 58.7 | 125.9 | 148.7 | -53.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 172 | T | 35.7 | Very low | 38.7 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | -156.7 | 128.7 | 118.4 | 36.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 173 | E | 38.3 | Very low | 39.1 | Very low | 177 Ų | 177 | 125 Ų | 125 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -53 | 147.7 | 173.9 | -52 | -89.9 | 117 | 0 | 0 | 113.1 | ||||
| 174 | V | 40.4 | Very low | 39.4 | Very low | 132 Ų | 132 | 130 Ų | 130 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | 160.6 | 121.9 | 113.1 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 175 | D | 42.8 | Very low | 39.8 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -62.8 | 123.9 | 163.5 | 174.4 | 72.9 | 0 | 0 | 0 | 110 | ||||
| 176 | S | 36.6 | Very low | 39.6 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -168.3 | 108.7 | 157.9 | -76.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 177 | S | 40.5 | Very low | 39.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -61.9 | 162 | 148.4 | -146.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 178 | P | 48.9 | Very low | 39.9 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | cis | -134 | -175.1 | 29.6 | 31.1 | -4.2 | 0 | 0 | 0 | 111.4 | ||||
| 179 | D | 39.7 | Very low | 39.8 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | 149.9 | 143.6 | 69 | -168.6 | 29.9 | 0 | 0 | 0 | 108.5 | |||||
| 180 | E | 47.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 45.2 | 124 | 159.1 | -52.9 | -36.8 | 68.1 | 0 | 0 | 125.4 | ||||
| 181 | G | 42.1 | Very low | 40.1 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | 75.2 | 136.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 182 | L | 37.3 | Very low | 40.6 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | cis | -164.1 | 128.3 | 49 | -58.9 | 171.8 | 0 | 0 | 0 | 109.1 | ||||
| 183 | H | 41.4 | Very low | 40.7 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -12.6 | 123.4 | 143.6 | 168.7 | -77.3 | 0 | 0 | 0 | 116.7 | ||||
| 184 | M | 41.5 | Very low | 40.8 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -154.2 | 110.9 | 137.4 | -65.9 | -164.4 | 67.8 | 0 | 0 | 110.8 | ||||
| 185 | E | 43.8 | Very low | 41.4 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -59.1 | 155.3 | 153 | -179.3 | 178 | 91.2 | 0 | 0 | 110.6 | ||||
| 186 | L | 36.4 | Very low | 41.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | 128.9 | 109.6 | 145.3 | -152.1 | 79 | 0 | 0 | 0 | 117.6 | ||||
| 187 | E | 40.1 | Very low | 42.3 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | trans | 76.6 | 117.2 | 138 | -79.7 | 179.5 | 98.6 | 0 | 0 | 125.6 | ||||
| 188 | Q | 41.8 | Very low | 42.7 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | 79.6 | 119.5 | 117.4 | -149.2 | 100.4 | 16.5 | 0 | 0 | 121.1 | |||||
| 189 | G | 32.3 | Very low | 42.7 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 143.9 | 80.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | E | 40.1 | Very low | 43.5 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | 67.4 | 141.8 | 99.1 | -158.9 | 170.4 | 131.4 | 0 | 0 | 113.7 | |||||
| 191 | E | 38.2 | Very low | 44.5 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | 110.7 | 82.1 | 159.6 | -150.3 | 99 | 100.5 | 0 | 0 | 118.4 | ||||
| 192 | L | 47.6 | Very low | 46.5 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 55.1 | 95.7 | 132.9 | -44.9 | 177.8 | 0 | 0 | 0 | 120.1 | ||||
| 193 | T | 36 | Very low | 49.1 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 77% | 0.767 | 73% | 0.726 | S | S | * | * | trans | -149.1 | 84.1 | 132.1 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | K195 | T193-K195 VanDerWaalsContact C-N 3.35Å; T193-K195 PolarHBondContact O-N 3.12Å | ||
| 194 | A | 40.8 | Very low | 51.7 | Low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | trans | -55.4 | 105 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | K196 | A194-K196 PolarHBondContact O-N 3.29Š| ||
| 195 | K | 53.8 | Low | 54.3 | Low | 193 Ų | 193 | 126.4 Ų | 126.4 | 84% | 0.839 | 66% | 0.661 | S | S | * | * | trans | -62 | 82.8 | 160.2 | -77.6 | 174 | 172 | 158.7 | 0 | 106.8 | T193 P197 | T193-K195 VanDerWaalsContact C-N 3.35Å; T193-K195 PolarHBondContact O-N 3.12Å; K195-P197 WeakPolarHBondContact O-CD 3.33Å | ||
| 196 | K | 47.3 | Very low | 56.8 | Low | 185 Ų | 185 | 122.1 Ų | 122.1 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -44.6 | 112.2 | 175.3 | -177.9 | 167.9 | 168.2 | 161.3 | 0 | 107.9 | A194 K198 | A194-K196 PolarHBondContact O-N 3.29Å; K196-K198 PolarHBondContact O-N 3.34Å | ||
| 197 | P | 50 | Low | 59.8 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 74% | 0.74 | 61% | 0.608 | S | S | * | * | trans | -58.8 | 116.4 | 169.5 | -19.7 | 31.8 | 0 | 0 | 0 | 106.3 | K195 S199 | K195-P197 WeakPolarHBondContact O-CD 3.33Å; P197-S199 PolarHBondContact O-N 3.48Å | ||
| 198 | K | 49.6 | Very low | 62.4 | Low | 206 Ų | 206 | 113.1 Ų | 113.1 | 90% | 0.896 | 60% | 0.597 | S | S | * | * | trans | -67.5 | 84.4 | 169.2 | -167.5 | 122.7 | 176 | 173 | 0 | 105.5 | K196 S200 | K196-K198 PolarHBondContact O-N 3.34Å; K198-S200 PolarHBondContact O-N 2.98Å | ||
| 199 | S | 48 | Very low | 65 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | trans | -60.5 | 102.7 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 107.7 | P197 L201 | P197-S199 PolarHBondContact O-N 3.48Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 2.95Å | ||
| 200 | S | 56.9 | Low | 67.9 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | trans | -68.2 | 97.2 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 106.2 | K198 R202 | K198-S200 PolarHBondContact O-N 2.98Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.47Å | ||
| 201 | L | 69.1 | Low | 70.4 | Confident | 95 Ų | 95 | 107.1 Ų | 107.1 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | trans | -56.5 | 95.8 | 172.9 | -69.2 | 170.2 | 0 | 0 | 0 | 108.1 | S199 S203 | S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 2.95Å; L201-S203 PolarHBondContact O-N 3.41Å | ||
| 202 | R | 85.3 | Confident | 73.2 | Confident | 198 Ų | 198 | 101.4 Ų | 101.4 | 75% | 0.747 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 108.9 | 174.1 | -79.9 | -172.6 | 177.2 | 147.1 | -0.6 | 107.2 | S200 C251 | S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.47Å; R202-C251 WeakPolarHBondContact O-CB 3.43Å; R202-C251 PolarHBondContact O-N 2.95Å |
| 203 | S | 90.3 | Very high | 75.3 | Confident | 24 Ų | 24 | 96.3 Ų | 96.3 | 17% | 0.168 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.8 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | L201 K248 I249 | L201-S203 PolarHBondContact O-N 3.41Å; S203-K248 WeakPolarHBondContact OG-CE 3.47Å; S203-I249 CarbonylContact C-O 3.54Å; S203-I249 WeakPolarHBondContact CA-O 3.29Å |
| 204 | V | 96.1 | Very high | 78.2 | Confident | 30 Ų | 30 | 94.8 Ų | 94.8 | 18% | 0.182 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 155.7 | 170.7 | -59.1 | 0 | 0 | 0 | 0 | 109.6 | V215 L216 T217 K248 I249 | V204-V215 HydrophobicContact CB-CG1 3.83Å; V204-V215 HydrophobicContact CG2-CG1 4.06Å; V204-L216 CarbonylContact C-O 3.52Å; V204-T217 HydrophobicContact CG1-CG2 4.31Å; V204-K248 CarbonylContact O-C 3.59Å; V204-K248 WeakPolarHBondContact O-CA 3.49Å; V204-I249 HydrophobicContact CG2-CB 3.85Å; V204-I249 HydrophobicContact CG2-CG2 4.36Å; V204-I249 PolarHBondContact N-O 3.34Å; V204-I249 PolarHBondContact O-N 2.96Å |
| 205 | Y | 97.1 | Very high | 80.9 | Confident | 28 Ų | 28 | 94 Ų | 94 | 11% | 0.11 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.6 | -173.2 | -63.1 | -95.6 | 0 | 0 | 0 | 108.6 | V215 L216 I222 Y246 T247 K248 | Y205-V215 CarbonylContact O-C 3.6Å; Y205-V215 VanDerWaalsContact O-CA 3.27Å; Y205-V215 WeakPolarHBondContact O-CA 3.25Å; Y205-L216 WeakPolarHBondContact CB-O 3.18Å; Y205-L216 PolarHBondContact N-O 2.9Å; Y205-L216 PolarHBondContact O-N 3.34Å; Y205-I222 HydrophobicContact CD1-CG2 4.3Å; Y205-I222 HydrophobicContact CG-CG2 4.23Å; Y205-Y246 AromaticContact CD1-CD2 3.72Å; Y205-Y246 HydrophobicContact CD1-CD2 3.72Å; Y205-Y246 AromaticContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CE1-CE2 4Å; Y205-T247 WeakPolarHBondContact CA-O 3.36Å; Y205-K248 HydrophobicContact CD1-CB 3.94Å; Y205-K248 HydrophobicContact CD1-CG 4.07Å; Y205-K248 HydrophobicContact CE1-CB 3.81Å; Y205-K248 HydrophobicContact CE1-CD 3.82Å; Y205-K248 HydrophobicContact CE1-CG 3.62Å; Y205-K248 WeakPolarHBondContact OH-CE 3.19Å |
| 206 | K | 97 | Very high | 82.9 | Confident | 73 Ų | 73 | 88 Ų | 88 | 32% | 0.317 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.3 | -177.3 | -179.3 | 179.9 | 178.1 | -170.1 | 0 | 110.9 | K214 V215 Y246 T247 I249 | K206-K214 CarbonylContact C-O 3.57Å; K206-K214 WeakPolarHBondContact CA-O 3.46Å; K206-V215 HydrophobicContact CB-CG2 4.09Å; K206-V215 HydrophobicContact CG-CG2 3.99Å; K206-Y246 CarbonylContact O-C 3.57Å; K206-Y246 WeakPolarHBondContact O-CA 3.36Å; K206-Y246 VanDerWaalsContact O-CB 3.28Å; K206-Y246 WeakPolarHBondContact O-CB 3.35Å; K206-T247 PolarHBondContact N-O 3.25Å; K206-T247 PolarHBondContact O-N 3.06Å; K206-I249 HydrophobicContact CB-CD1 4.09Å; K206-I249 HydrophobicContact CD-CD1 4.47Å |
| 207 | C | 97.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.014 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 130.3 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | C212 K214 I222 H225 Y245 | C207-C212 HydrophobicContact CB-CB 4.5Å; C207-K214 HydrophobicContact CB-CB 4.37Å; C207-K214 WeakPolarHBondContact CB-O 3.32Å; C207-K214 PolarHBondContact N-O 2.89Å; C207-I222 HydrophobicContact CB-CD1 3.9Å; C207-I222 HydrophobicContact CB-CG1 4.48Å; C207-H225 PolarHBondContact SG-NE2 3.48Å; C207-Y245 WeakPolarHBondContact CA-O 3.35Å |
| 208 | L | 96.1 | Very high | 87.3 | Confident | 86 Ų | 86 | 81.9 Ų | 81.9 | 45% | 0.45 | 45% | 0.454 | S | S | . | . | trans | -97.2 | 2.9 | -180 | -60.3 | -179.8 | 0 | 0 | 0 | 113.4 | Y245 T247 | L208-Y245 PolarHBondContact N-O 3.42Å; L208-T247 WeakPolarHBondContact CD1-OG1 3.35Å | ||
| 209 | W | 95.6 | Very high | 89.4 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 26% | 0.261 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -61.5 | 138.6 | 178.4 | -154.7 | -90.2 | 0 | 0 | 0 | 110.6 | S211 C212 H230 L231 Y245 | W209-S211 PolarHBondContact O-N 3.03Å; W209-C212 HydrophobicContact CB-CB 3.8Å; W209-C212 PolarHBondContact O-N 2.94Å; W209-H230 WeakPolarHBondContact CB-NE2 3.24Å; W209-H230 AromaticContact CD1-CE1 3.58Å; W209-H230 AromaticContact CD1-CG 3.75Å; W209-H230 AromaticContact CD1-ND1 3.31Å; W209-H230 VanDerWaalsContact CD1-ND1 3.31Å; W209-H230 HydrophobicContact CD2-CB 3.42Å; W209-H230 VanDerWaalsContact CD2-CB 3.42Å; W209-H230 AromaticContact CD2-CD2 3.85Å; W209-H230 AromaticContact CD2-CG 3.41Å; W209-H230 VanDerWaalsContact CD2-CG 3.41Å; W209-H230 AromaticContact CD2-ND1 3.83Å; W209-H230 AromaticContact CE2-CG 3.76Å; W209-H230 AromaticContact CE2-ND1 3.9Å; W209-H230 HydrophobicContact CE3-CB 3.49Å; W209-H230 VanDerWaalsContact CE3-CB 3.49Å; W209-H230 AromaticContact CE3-CG 3.83Å; W209-H230 HydrophobicContact CG-CB 4.03Å; W209-H230 AromaticContact CG-CD2 3.62Å; W209-H230 AromaticContact CG-CE1 3.65Å; W209-H230 AromaticContact CG-CG 3.44Å; W209-H230 VanDerWaalsContact CG-CG 3.44Å; W209-H230 AromaticContact CG-ND1 3.48Å; W209-H230 AromaticContact CG-NE2 3.76Å; W209-H230 HydrophobicContact CH2-CB 3.74Å; W209-H230 HydrophobicContact CZ2-CB 3.69Å; W209-H230 HydrophobicContact CZ3-CB 3.64Å; W209-H230 AromaticContact NE1-CG 3.93Å; W209-H230 AromaticContact NE1-ND1 3.57Å; W209-L231 HydrophobicContact CH2-CD2 4.04Å; W209-L231 HydrophobicContact CH2-CG 4.4Å; W209-L231 HydrophobicContact CZ3-CD2 4.12Å; W209-L231 HydrophobicContact CZ3-CG 4.27Å; W209-Y245 AromaticContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD2 4.34Å; W209-Y245 AromaticContact CE3-CE1 3.98Å; W209-Y245 HydrophobicContact CE3-CE1 3.98Å; W209-Y245 AromaticContact CE3-CG 3.81Å; W209-Y245 HydrophobicContact CE3-CG 3.81Å; W209-Y245 AromaticContact CZ3-CD1 3.76Å; W209-Y245 HydrophobicContact CZ3-CD1 3.76Å; W209-Y245 AromaticContact CZ3-CD2 3.95Å; W209-Y245 HydrophobicContact CZ3-CD2 3.95Å; W209-Y245 AromaticContact CZ3-CE1 3.72Å; W209-Y245 HydrophobicContact CZ3-CE1 3.72Å; W209-Y245 AromaticContact CZ3-CE2 3.91Å; W209-Y245 HydrophobicContact CZ3-CE2 3.91Å; W209-Y245 AromaticContact CZ3-CG 3.87Å; W209-Y245 HydrophobicContact CZ3-CG 3.87Å; W209-Y245 AromaticContact CZ3-CZ 3.79Å |
| 210 | P | 94.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 73.3 Ų | 73.3 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 130.5 | 176.6 | -27 | 34 | 0 | 0 | 0 | 110.6 | C212 | P210-C212 PolarHBondContact O-N 3.07Å; P210-C212 VanDerWaalsContact O-N 3.16Å |
| 211 | S | 92.1 | Very high | 93.5 | Very high | 139 Ų | 139 | 69.9 Ų | 69.9 | 97% | 0.972 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -0.9 | -177.5 | 74.5 | 0 | 0 | 0 | 0 | 118.2 | W209 | W209-S211 PolarHBondContact O-N 3.03Š|
| 212 | C | 95.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 65.3 Ų | 65.3 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -58.4 | -176.6 | -174 | 0 | 0 | 0 | 0 | 113.8 | C207 W209 P210 K214 H225 H230 | C207-C212 HydrophobicContact CB-CB 4.5Å; W209-C212 HydrophobicContact CB-CB 3.8Å; W209-C212 PolarHBondContact O-N 2.94Å; P210-C212 PolarHBondContact O-N 3.07Å; P210-C212 VanDerWaalsContact O-N 3.16Å; C212-K214 PolarHBondContact O-N 2.8Å; C212-K214 VanDerWaalsContact SG-CG 3.58Å; C212-H225 PolarHBondContact SG-CE1 3.44Å; C212-H225 PolarHBondContact SG-NE2 2.8Å; C212-H230 WeakPolarHBondContact CB-NE2 3.27Å; C212-H230 PolarHBondContact SG-NE2 3.21Å |
| 213 | G | 93.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 58 Ų | 58 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | trans | 58.7 | 4.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | V215 | G213-V215 PolarHBondContact O-N 3.2Š| ||
| 214 | K | 96.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | trans | -60.3 | 134.3 | -175.5 | -70.7 | -172.9 | -156.1 | 179.1 | 0 | 111.7 | K206 C207 C212 H225 | K206-K214 CarbonylContact C-O 3.57Å; K206-K214 WeakPolarHBondContact CA-O 3.46Å; C207-K214 HydrophobicContact CB-CB 4.37Å; C207-K214 WeakPolarHBondContact CB-O 3.32Å; C207-K214 PolarHBondContact N-O 2.89Å; C212-K214 PolarHBondContact O-N 2.8Å; C212-K214 VanDerWaalsContact SG-CG 3.58Å; K214-H225 VanDerWaalsContact CD-CE1 3.42Å; K214-H225 WeakPolarHBondContact CD-CE1 3.49Å | ||
| 215 | V | 96.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 64 Ų | 64 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.5 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V204 Y205 K206 G213 | V204-V215 HydrophobicContact CB-CG1 3.83Å; V204-V215 HydrophobicContact CG2-CG1 4.06Å; Y205-V215 CarbonylContact O-C 3.6Å; Y205-V215 VanDerWaalsContact O-CA 3.27Å; Y205-V215 WeakPolarHBondContact O-CA 3.25Å; K206-V215 HydrophobicContact CB-CG2 4.09Å; K206-V215 HydrophobicContact CG-CG2 3.99Å; G213-V215 PolarHBondContact O-N 3.2Å |
| 216 | L | 96.4 | Very high | 95.3 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.4 | 178.4 | -65.4 | 176.7 | 0 | 0 | 0 | 110.3 | V204 Y205 S218 G221 I222 H225 | V204-L216 CarbonylContact C-O 3.52Å; Y205-L216 WeakPolarHBondContact CB-O 3.18Å; Y205-L216 PolarHBondContact N-O 2.9Å; Y205-L216 PolarHBondContact O-N 3.34Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-G221 WeakPolarHBondContact CD1-O 3.28Å; L216-I222 HydrophobicContact CB-CD1 4.27Å; L216-I222 HydrophobicContact CD1-CB 4.36Å; L216-I222 HydrophobicContact CD1-CD1 3.96Å; L216-I222 HydrophobicContact CG-CD1 4.09Å; L216-H225 HydrophobicContact CD1-CB 4.18Å |
| 217 | T | 95.3 | Very high | 95.1 | Very high | 118 Ų | 118 | 63.4 Ų | 63.4 | 72% | 0.724 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -84.9 | -6.4 | 178.5 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | V204 | V204-T217 HydrophobicContact CG1-CG2 4.31Š|
| 218 | S | 94.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | trans | -122.8 | 133.9 | -176.4 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L216 V220 G221 I222 | L216-S218 VanDerWaalsContact C-N 3.32Å; S218-V220 VanDerWaalsContact C-N 3.3Å; S218-V220 PolarHBondContact O-N 3.04Å; S218-V220 PolarHBondContact OG-N 2.7Å; S218-G221 PolarHBondContact O-N 3.31Å; S218-G221 PolarHBondContact OG-N 2.83Å; S218-I222 PolarHBondContact O-N 2.71Å | ||
| 219 | S | 94 | Very high | 94.7 | Very high | 37 Ų | 37 | 69.6 Ų | 69.6 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 171.3 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | G221 I222 K223 | S219-G221 VanDerWaalsContact C-N 3.31Å; S219-G221 PolarHBondContact O-N 3.1Å; S219-I222 WeakPolarHBondContact O-CG2 3.48Å; S219-I222 PolarHBondContact O-N 3.3Å; S219-K223 WeakPolarHBondContact O-CB 3.48Å; S219-K223 WeakPolarHBondContact O-CG 3.44Å; S219-K223 PolarHBondContact O-N 3.38Å |
| 220 | V | 94.6 | Very high | 94.5 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | S218 R224 | S218-V220 VanDerWaalsContact C-N 3.3Å; S218-V220 PolarHBondContact O-N 3.04Å; S218-V220 PolarHBondContact OG-N 2.7Å; V220-R224 WeakPolarHBondContact O-CB 3.37Å; V220-R224 PolarHBondContact O-N 2.92Å |
| 221 | G | 95.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L216 S218 S219 K223 R224 H225 | L216-G221 WeakPolarHBondContact CD1-O 3.28Å; S218-G221 PolarHBondContact O-N 3.31Å; S218-G221 PolarHBondContact OG-N 2.83Å; S219-G221 VanDerWaalsContact C-N 3.31Å; S219-G221 PolarHBondContact O-N 3.1Å; G221-K223 PolarHBondContact O-N 3.17Å; G221-R224 PolarHBondContact O-N 3.47Å; G221-H225 WeakPolarHBondContact O-CB 3.38Å; G221-H225 PolarHBondContact O-N 3.17Å |
| 222 | I | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | -179 | -156.5 | 66.8 | 0 | 0 | 0 | 112.2 | Y205 C207 L216 S218 S219 H225 I226 Y246 | Y205-I222 HydrophobicContact CD1-CG2 4.3Å; Y205-I222 HydrophobicContact CG-CG2 4.23Å; C207-I222 HydrophobicContact CB-CD1 3.9Å; C207-I222 HydrophobicContact CB-CG1 4.48Å; L216-I222 HydrophobicContact CB-CD1 4.27Å; L216-I222 HydrophobicContact CD1-CB 4.36Å; L216-I222 HydrophobicContact CD1-CD1 3.96Å; L216-I222 HydrophobicContact CG-CD1 4.09Å; S218-I222 PolarHBondContact O-N 2.71Å; S219-I222 WeakPolarHBondContact O-CG2 3.48Å; S219-I222 PolarHBondContact O-N 3.3Å; I222-H225 WeakPolarHBondContact O-CB 3.08Å; I222-H225 PolarHBondContact O-N 2.94Å; I222-I226 HydrophobicContact CG1-CD1 4.25Å; I222-I226 WeakPolarHBondContact O-CD1 3.4Å; I222-I226 VanDerWaalsContact O-CG1 3.25Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 3.3Å; I222-Y246 HydrophobicContact CG1-CG 4.36Å; I222-Y246 HydrophobicContact CG2-CD1 3.72Å; I222-Y246 HydrophobicContact CG2-CD2 3.96Å; I222-Y246 HydrophobicContact CG2-CE1 4.1Å; I222-Y246 HydrophobicContact CG2-CE2 4.35Å; I222-Y246 HydrophobicContact CG2-CG 3.64Å |
| 223 | K | 94.2 | Very high | 92 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.4 | -70.6 | -171.5 | -46.1 | 163.5 | 0 | 111.9 | S219 G221 H225 I226 R227 E242 D243 Y246 | S219-K223 WeakPolarHBondContact O-CB 3.48Å; S219-K223 WeakPolarHBondContact O-CG 3.44Å; S219-K223 PolarHBondContact O-N 3.38Å; G221-K223 PolarHBondContact O-N 3.17Å; K223-H225 VanDerWaalsContact C-N 3.31Å; K223-H225 PolarHBondContact O-N 3.5Å; K223-I226 PolarHBondContact O-N 3.49Å; K223-R227 PolarHBondContact O-N 3.21Å; K223-E242 HydrophobicContact CB-CG 4.12Å; K223-E242 HydrophobicContact CD-CG 3.91Å; K223-E242 WeakPolarHBondContact CD-OE1 3.41Å; K223-E242 HydrophobicContact CG-CG 3.93Å; K223-E242 IonicContact NZ-OE1 3.6Å; K223-D243 WeakPolarHBondContact CD-OD1 3.3Å; K223-Y246 HydrophobicContact CD-CE1 3.82Å; K223-Y246 HydrophobicContact CG-CD1 4.17Å; K223-Y246 HydrophobicContact CG-CE1 3.53Å |
| 224 | R | 94.8 | Very high | 90.5 | Very high | 163 Ų | 163 | 66.5 Ų | 66.5 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 171.4 | 177.3 | 175.9 | -77.2 | 165.8 | -3.1 | 111.5 | V220 G221 I226 R227 V228 | V220-R224 WeakPolarHBondContact O-CB 3.37Å; V220-R224 PolarHBondContact O-N 2.92Å; G221-R224 PolarHBondContact O-N 3.47Å; R224-I226 VanDerWaalsContact C-N 3.34Å; R224-I226 PolarHBondContact O-N 3.35Å; R224-R227 PolarHBondContact O-N 3.06Å; R224-V228 HydrophobicContact CG-CG2 4.21Å; R224-V228 WeakPolarHBondContact O-CB 3.35Å; R224-V228 WeakPolarHBondContact O-CG2 3.14Å; R224-V228 PolarHBondContact O-N 3.33Å |
| 225 | H | 95.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 177.1 | 162.1 | 51.6 | 0 | 0 | 0 | 111.7 | C207 C212 K214 L216 G221 I222 K223 M229 H230 | C207-H225 PolarHBondContact SG-NE2 3.48Å; C212-H225 PolarHBondContact SG-CE1 3.44Å; C212-H225 PolarHBondContact SG-NE2 2.8Å; K214-H225 VanDerWaalsContact CD-CE1 3.42Å; K214-H225 WeakPolarHBondContact CD-CE1 3.49Å; L216-H225 HydrophobicContact CD1-CB 4.18Å; G221-H225 WeakPolarHBondContact O-CB 3.38Å; G221-H225 PolarHBondContact O-N 3.17Å; I222-H225 WeakPolarHBondContact O-CB 3.08Å; I222-H225 PolarHBondContact O-N 2.94Å; K223-H225 VanDerWaalsContact C-N 3.31Å; K223-H225 PolarHBondContact O-N 3.5Å; H225-M229 VanDerWaalsContact ND1-CG 3.27Å; H225-M229 WeakPolarHBondContact ND1-CG 3.36Å; H225-M229 VanDerWaalsContact O-CB 3.23Å; H225-M229 WeakPolarHBondContact O-CB 3.4Å; H225-M229 WeakPolarHBondContact O-CG 3.43Å; H225-M229 PolarHBondContact O-N 2.79Å; H225-H230 AromaticContact CE1-CD2 4Å; H225-H230 AromaticContact CE1-NE2 3.44Å; H225-H230 PolarHBondContact CE1-NE2 2.88Å; H225-H230 AromaticContact NE2-CD2 3.78Å; H225-H230 AromaticContact NE2-NE2 3.26Å; H225-H230 PolarHBondContact NE2-NE2 3.35Å |
| 226 | I | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 179.5 | -66.7 | 157.8 | 0 | 0 | 0 | 110.8 | I222 K223 R224 V228 H230 L231 E242 Y245 Y246 | I222-I226 HydrophobicContact CG1-CD1 4.25Å; I222-I226 WeakPolarHBondContact O-CD1 3.4Å; I222-I226 VanDerWaalsContact O-CG1 3.25Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 3.3Å; K223-I226 PolarHBondContact O-N 3.49Å; R224-I226 VanDerWaalsContact C-N 3.34Å; R224-I226 PolarHBondContact O-N 3.35Å; I226-V228 PolarHBondContact O-N 2.82Å; I226-H230 WeakPolarHBondContact O-CA 3.22Å; I226-H230 WeakPolarHBondContact O-CB 2.94Å; I226-H230 PolarHBondContact O-N 2.92Å; I226-L231 HydrophobicContact CG2-CD1 3.68Å; I226-L231 HydrophobicContact CG2-CG 4.2Å; I226-L231 PolarHBondContact O-N 3.48Å; I226-E242 WeakPolarHBondContact CD1-O 3.35Å; I226-E242 HydrophobicContact CG2-CB 4.29Å; I226-Y245 HydrophobicContact CG2-CD2 4.15Å; I226-Y245 HydrophobicContact CG2-CG 4.4Å; I226-Y246 HydrophobicContact CD1-CD1 3.87Å; I226-Y246 HydrophobicContact CD1-CG 4.44Å |
| 227 | R | 92.3 | Very high | 85.9 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | I | π-helix | trans | -58.4 | -50.1 | 176.9 | -78.9 | -170.3 | -74.5 | 163 | 1.5 | 112.8 | K223 R224 G232 E242 | K223-R227 PolarHBondContact O-N 3.21Å; R224-R227 PolarHBondContact O-N 3.06Å; R227-G232 CarbonylContact O-C 3.5Å; R227-G232 WeakPolarHBondContact O-CA 3.16Å; R227-G232 PolarHBondContact O-N 2.7Å; R227-E242 WeakPolarHBondContact CD-OE2 3.41Å; R227-E242 VanDerWaalsContact CG-OE2 3.23Å; R227-E242 WeakPolarHBondContact CG-OE2 3.28Å; R227-E242 IonicContact CZ-OE2 3.34Å; R227-E242 IonicContact NE-OE2 2.83Å; R227-E242 PolarHBondContact NE-OE2 2.9Å |
| 228 | V | 92.5 | Very high | 84.6 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | I | π-helix | trans | -76.2 | -39.9 | -172.6 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | R224 I226 | R224-V228 HydrophobicContact CG-CG2 4.21Å; R224-V228 WeakPolarHBondContact O-CB 3.35Å; R224-V228 WeakPolarHBondContact O-CG2 3.14Å; R224-V228 PolarHBondContact O-N 3.33Å; I226-V228 PolarHBondContact O-N 2.82Å |
| 229 | M | 92.9 | Very high | 83.3 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | I | π-helix | trans | -91.7 | -24.9 | -171.5 | -61.7 | -59.7 | -49.8 | 0 | 0 | 113.9 | H225 | H225-M229 VanDerWaalsContact ND1-CG 3.27Å; H225-M229 WeakPolarHBondContact ND1-CG 3.36Å; H225-M229 VanDerWaalsContact O-CB 3.23Å; H225-M229 WeakPolarHBondContact O-CB 3.4Å; H225-M229 WeakPolarHBondContact O-CG 3.43Å; H225-M229 PolarHBondContact O-N 2.79Å |
| 230 | H | 92.9 | Very high | 82.4 | Confident | 46 Ų | 46 | 77.7 Ų | 77.7 | 21% | 0.213 | 42% | 0.416 | C | S | . | . | I | π-helix | trans | -125.7 | -41.9 | -166.1 | -62.5 | -44.7 | 0 | 0 | 0 | 114.3 | W209 C212 H225 I226 | W209-H230 WeakPolarHBondContact CB-NE2 3.24Å; W209-H230 AromaticContact CD1-CE1 3.58Å; W209-H230 AromaticContact CD1-CG 3.75Å; W209-H230 AromaticContact CD1-ND1 3.31Å; W209-H230 VanDerWaalsContact CD1-ND1 3.31Å; W209-H230 HydrophobicContact CD2-CB 3.42Å; W209-H230 VanDerWaalsContact CD2-CB 3.42Å; W209-H230 AromaticContact CD2-CD2 3.85Å; W209-H230 AromaticContact CD2-CG 3.41Å; W209-H230 VanDerWaalsContact CD2-CG 3.41Å; W209-H230 AromaticContact CD2-ND1 3.83Å; W209-H230 AromaticContact CE2-CG 3.76Å; W209-H230 AromaticContact CE2-ND1 3.9Å; W209-H230 HydrophobicContact CE3-CB 3.49Å; W209-H230 VanDerWaalsContact CE3-CB 3.49Å; W209-H230 AromaticContact CE3-CG 3.83Å; W209-H230 HydrophobicContact CG-CB 4.03Å; W209-H230 AromaticContact CG-CD2 3.62Å; W209-H230 AromaticContact CG-CE1 3.65Å; W209-H230 AromaticContact CG-CG 3.44Å; W209-H230 VanDerWaalsContact CG-CG 3.44Å; W209-H230 AromaticContact CG-ND1 3.48Å; W209-H230 AromaticContact CG-NE2 3.76Å; W209-H230 HydrophobicContact CH2-CB 3.74Å; W209-H230 HydrophobicContact CZ2-CB 3.69Å; W209-H230 HydrophobicContact CZ3-CB 3.64Å; W209-H230 AromaticContact NE1-CG 3.93Å; W209-H230 AromaticContact NE1-ND1 3.57Å; C212-H230 WeakPolarHBondContact CB-NE2 3.27Å; C212-H230 PolarHBondContact SG-NE2 3.21Å; H225-H230 AromaticContact CE1-CD2 4Å; H225-H230 AromaticContact CE1-NE2 3.44Å; H225-H230 PolarHBondContact CE1-NE2 2.88Å; H225-H230 AromaticContact NE2-CD2 3.78Å; H225-H230 AromaticContact NE2-NE2 3.26Å; H225-H230 PolarHBondContact NE2-NE2 3.35Å; I226-H230 WeakPolarHBondContact O-CA 3.22Å; I226-H230 WeakPolarHBondContact O-CB 2.94Å; I226-H230 PolarHBondContact O-N 2.92Å |
| 231 | L | 87.8 | Confident | 81.8 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | I | π-helix | trans | -90.4 | -21.1 | -179.3 | -66.8 | 164 | 0 | 0 | 0 | 112.7 | W209 I226 E241 E242 Y245 | W209-L231 HydrophobicContact CH2-CD2 4.04Å; W209-L231 HydrophobicContact CH2-CG 4.4Å; W209-L231 HydrophobicContact CZ3-CD2 4.12Å; W209-L231 HydrophobicContact CZ3-CG 4.27Å; I226-L231 HydrophobicContact CG2-CD1 3.68Å; I226-L231 HydrophobicContact CG2-CG 4.2Å; I226-L231 PolarHBondContact O-N 3.48Å; L231-E241 HydrophobicContact CD1-CG 3.88Å; L231-E241 HydrophobicContact CD2-CG 3.99Å; L231-E242 HydrophobicContact CD1-CB 4.33Å; L231-Y245 HydrophobicContact CD2-CE2 4.3Å |
| 232 | G | 75.3 | Confident | 81.3 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | trans | 67.4 | 173.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R227 G234 | R227-G232 CarbonylContact O-C 3.5Å; R227-G232 WeakPolarHBondContact O-CA 3.16Å; R227-G232 PolarHBondContact O-N 2.7Å; G232-G234 VanDerWaalsContact C-N 3.29Å; G232-G234 PolarHBondContact O-N 3.13Å | ||
| 233 | S | 66.1 | Low | 81 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 99% | 0.993 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -59.4 | 88.2 | 179.2 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 234 | G | 61 | Low | 81 | Confident | 42 Ų | 42 | 84.6 Ų | 84.6 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | trans | -93 | 150.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G232 S238 | G232-G234 VanDerWaalsContact C-N 3.29Å; G232-G234 PolarHBondContact O-N 3.13Å; G234-S238 VanDerWaalsContact C-OG 3.27Å; G234-S238 WeakPolarHBondContact CA-OG 3.38Å; G234-S238 PolarHBondContact O-OG 3.14Å | ||
| 235 | S | 63.4 | Low | 81 | Confident | 83 Ų | 83 | 80.7 Ų | 80.7 | 58% | 0.58 | 42% | 0.422 | S | S | * | . | trans | -56.1 | 168.2 | 168.9 | 70.5 | 0 | 0 | 0 | 0 | 112 | Q237 S238 | S235-Q237 PolarHBondContact O-N 3.33Å; S235-S238 WeakPolarHBondContact O-CB 3.03Å; S235-S238 PolarHBondContact O-N 3.26Å; S235-S238 PolarHBondContact O-OG 3.18Å | ||
| 236 | D | 67.3 | Low | 81 | Confident | 138 Ų | 138 | 82.1 Ų | 82.1 | 74% | 0.738 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -29.4 | -178.9 | -152 | -95.2 | 0 | 0 | 0 | 114 | S238 Q239 | D236-S238 VanDerWaalsContact C-N 3.25Å; D236-S238 PolarHBondContact O-N 2.79Å; D236-Q239 WeakPolarHBondContact O-CB 3.1Å; D236-Q239 PolarHBondContact O-N 3.4Å; D236-Q239 VanDerWaalsContact O-N 3.13Å |
| 237 | Q | 63.4 | Low | 81 | Confident | 163 Ų | 163 | 85.3 Ų | 85.3 | 76% | 0.762 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.1 | 175.3 | -66 | -167.8 | 83.6 | 0 | 0 | 113.9 | S235 Q239 R240 | S235-Q237 PolarHBondContact O-N 3.33Å; Q237-Q239 PolarHBondContact O-N 3.19Å; Q237-R240 PolarHBondContact O-N 2.79Å |
| 238 | S | 66.7 | Low | 81.2 | Confident | 7 Ų | 7 | 86.2 Ų | 86.2 | 5% | 0.049 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.1 | -15.2 | 177.9 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | G234 S235 D236 R240 E241 E242 | G234-S238 VanDerWaalsContact C-OG 3.27Å; G234-S238 WeakPolarHBondContact CA-OG 3.38Å; G234-S238 PolarHBondContact O-OG 3.14Å; S235-S238 WeakPolarHBondContact O-CB 3.03Å; S235-S238 PolarHBondContact O-N 3.26Å; S235-S238 PolarHBondContact O-OG 3.18Å; D236-S238 VanDerWaalsContact C-N 3.25Å; D236-S238 PolarHBondContact O-N 2.79Å; S238-R240 VanDerWaalsContact C-N 3.27Å; S238-R240 PolarHBondContact O-N 3.29Å; S238-E241 WeakPolarHBondContact CA-OE1 3.28Å; S238-E241 WeakPolarHBondContact CB-OE1 3.34Å; S238-E241 WeakPolarHBondContact O-CG 3.23Å; S238-E241 PolarHBondContact O-N 2.93Å; S238-E242 PolarHBondContact O-N 3.39Å |
| 239 | Q | 68.4 | Low | 81.3 | Confident | 92 Ų | 92 | 84 Ų | 84 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.5 | -20.4 | 173.7 | -166.4 | 176.8 | -18.4 | 0 | 0 | 112 | D236 Q237 E242 | D236-Q239 WeakPolarHBondContact O-CB 3.1Å; D236-Q239 PolarHBondContact O-N 3.4Å; D236-Q239 VanDerWaalsContact O-N 3.13Å; Q237-Q239 PolarHBondContact O-N 3.19Å; Q239-E242 WeakPolarHBondContact CG-OE1 3.23Å; Q239-E242 VanDerWaalsContact O-CG 3.23Å; Q239-E242 WeakPolarHBondContact O-CG 3.42Å |
| 240 | R | 74.4 | Confident | 81.2 | Confident | 196 Ų | 196 | 82 Ų | 82 | 74% | 0.74 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -83.8 | -30.9 | 173.1 | 174.3 | 168.5 | -72.8 | -80.1 | -0.9 | 112.1 | Q237 S238 | Q237-R240 PolarHBondContact O-N 2.79Å; S238-R240 VanDerWaalsContact C-N 3.27Å; S238-R240 PolarHBondContact O-N 3.29Å |
| 241 | E | 82.1 | Confident | 80.6 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -80.3 | -22.9 | -177.4 | 76.7 | -163.2 | 153.2 | 0 | 0 | 112.9 | L231 S238 D243 F244 Y245 | L231-E241 HydrophobicContact CD1-CG 3.88Å; L231-E241 HydrophobicContact CD2-CG 3.99Å; S238-E241 WeakPolarHBondContact CA-OE1 3.28Å; S238-E241 WeakPolarHBondContact CB-OE1 3.34Å; S238-E241 WeakPolarHBondContact O-CG 3.23Å; S238-E241 PolarHBondContact O-N 2.93Å; E241-D243 PolarHBondContact O-N 2.83Å; E241-D243 VanDerWaalsContact O-N 3.17Å; E241-F244 PolarHBondContact O-N 3.39Å; E241-F244 VanDerWaalsContact O-N 3.1Å; E241-Y245 HydrophobicContact CB-CE2 4.45Å; E241-Y245 HydrophobicContact CG-CE2 4.4Å; E241-Y245 WeakPolarHBondContact O-CD2 3.49Å; E241-Y245 WeakPolarHBondContact O-CE2 3.46Å |
| 242 | E | 85.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 87.5 Ų | 87.5 | 1% | 0.005 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -58.4 | -29.8 | 179 | 71.4 | -169.7 | -174.6 | 0 | 0 | 113.7 | K223 I226 R227 L231 S238 Q239 F244 Y245 Y246 | K223-E242 HydrophobicContact CB-CG 4.12Å; K223-E242 HydrophobicContact CD-CG 3.91Å; K223-E242 WeakPolarHBondContact CD-OE1 3.41Å; K223-E242 HydrophobicContact CG-CG 3.93Å; K223-E242 IonicContact NZ-OE1 3.6Å; I226-E242 WeakPolarHBondContact CD1-O 3.35Å; I226-E242 HydrophobicContact CG2-CB 4.29Å; R227-E242 WeakPolarHBondContact CD-OE2 3.41Å; R227-E242 VanDerWaalsContact CG-OE2 3.23Å; R227-E242 WeakPolarHBondContact CG-OE2 3.28Å; R227-E242 IonicContact CZ-OE2 3.34Å; R227-E242 IonicContact NE-OE2 2.83Å; R227-E242 PolarHBondContact NE-OE2 2.9Å; L231-E242 HydrophobicContact CD1-CB 4.33Å; S238-E242 PolarHBondContact O-N 3.39Å; Q239-E242 WeakPolarHBondContact CG-OE1 3.23Å; Q239-E242 VanDerWaalsContact O-CG 3.23Å; Q239-E242 WeakPolarHBondContact O-CG 3.42Å; E242-F244 VanDerWaalsContact C-N 3.28Å; E242-F244 PolarHBondContact O-N 2.93Å; E242-Y245 PolarHBondContact O-N 3.35Å; E242-Y246 WeakPolarHBondContact O-CD1 3.05Å |
| 243 | D | 90.9 | Very high | 79.2 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -70.3 | -21 | 179.7 | -73.1 | -42 | 0 | 0 | 0 | 113.7 | K223 E241 Y245 Y246 | K223-D243 WeakPolarHBondContact CD-OD1 3.3Å; E241-D243 PolarHBondContact O-N 2.83Å; E241-D243 VanDerWaalsContact O-N 3.17Å; D243-Y245 VanDerWaalsContact C-N 3.28Å; D243-Y245 PolarHBondContact O-N 3.5Å; D243-Y246 HydrophobicContact CB-CE1 4.25Å; D243-Y246 WeakPolarHBondContact OD1-CE1 3.5Å; D243-Y246 PolarHBondContact OD1-OH 2.8Å |
| 244 | F | 93.6 | Very high | 78.7 | Confident | 154 Ų | 154 | 91 Ų | 91 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -76.5 | -19 | 177.2 | -68 | -91.7 | 0 | 0 | 0 | 112.6 | E241 E242 | E241-F244 PolarHBondContact O-N 3.39Å; E241-F244 VanDerWaalsContact O-N 3.1Å; E242-F244 VanDerWaalsContact C-N 3.28Å; E242-F244 PolarHBondContact O-N 2.93Å |
| 245 | Y | 93.8 | Very high | 77.9 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -102.2 | 17.1 | -172.3 | -58.2 | -73.4 | 0 | 0 | 0 | 113.7 | C207 L208 W209 I226 L231 E241 E242 D243 | C207-Y245 WeakPolarHBondContact CA-O 3.35Å; L208-Y245 PolarHBondContact N-O 3.42Å; W209-Y245 AromaticContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD2 4.34Å; W209-Y245 AromaticContact CE3-CE1 3.98Å; W209-Y245 HydrophobicContact CE3-CE1 3.98Å; W209-Y245 AromaticContact CE3-CG 3.81Å; W209-Y245 HydrophobicContact CE3-CG 3.81Å; W209-Y245 AromaticContact CZ3-CD1 3.76Å; W209-Y245 HydrophobicContact CZ3-CD1 3.76Å; W209-Y245 AromaticContact CZ3-CD2 3.95Å; W209-Y245 HydrophobicContact CZ3-CD2 3.95Å; W209-Y245 AromaticContact CZ3-CE1 3.72Å; W209-Y245 HydrophobicContact CZ3-CE1 3.72Å; W209-Y245 AromaticContact CZ3-CE2 3.91Å; W209-Y245 HydrophobicContact CZ3-CE2 3.91Å; W209-Y245 AromaticContact CZ3-CG 3.87Å; W209-Y245 HydrophobicContact CZ3-CG 3.87Å; W209-Y245 AromaticContact CZ3-CZ 3.79Å; I226-Y245 HydrophobicContact CG2-CD2 4.15Å; I226-Y245 HydrophobicContact CG2-CG 4.4Å; L231-Y245 HydrophobicContact CD2-CE2 4.3Å; E241-Y245 HydrophobicContact CB-CE2 4.45Å; E241-Y245 HydrophobicContact CG-CE2 4.4Å; E241-Y245 WeakPolarHBondContact O-CD2 3.49Å; E241-Y245 WeakPolarHBondContact O-CE2 3.46Å; E242-Y245 PolarHBondContact O-N 3.35Å; D243-Y245 VanDerWaalsContact C-N 3.28Å; D243-Y245 PolarHBondContact O-N 3.5Å |
| 246 | Y | 95.9 | Very high | 77.1 | Confident | 46 Ų | 46 | 98.4 Ų | 98.4 | 18% | 0.18 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 160.3 | 166.8 | 71.4 | -92.4 | 0 | 0 | 0 | 113.9 | Y205 K206 I222 K223 I226 E242 D243 | Y205-Y246 AromaticContact CD1-CD2 3.72Å; Y205-Y246 HydrophobicContact CD1-CD2 3.72Å; Y205-Y246 AromaticContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CE1-CE2 4Å; K206-Y246 CarbonylContact O-C 3.57Å; K206-Y246 WeakPolarHBondContact O-CA 3.36Å; K206-Y246 VanDerWaalsContact O-CB 3.28Å; K206-Y246 WeakPolarHBondContact O-CB 3.35Å; I222-Y246 HydrophobicContact CG1-CG 4.36Å; I222-Y246 HydrophobicContact CG2-CD1 3.72Å; I222-Y246 HydrophobicContact CG2-CD2 3.96Å; I222-Y246 HydrophobicContact CG2-CE1 4.1Å; I222-Y246 HydrophobicContact CG2-CE2 4.35Å; I222-Y246 HydrophobicContact CG2-CG 3.64Å; K223-Y246 HydrophobicContact CD-CE1 3.82Å; K223-Y246 HydrophobicContact CG-CD1 4.17Å; K223-Y246 HydrophobicContact CG-CE1 3.53Å; I226-Y246 HydrophobicContact CD1-CD1 3.87Å; I226-Y246 HydrophobicContact CD1-CG 4.44Å; E242-Y246 WeakPolarHBondContact O-CD1 3.05Å; D243-Y246 HydrophobicContact CB-CE1 4.25Å; D243-Y246 WeakPolarHBondContact OD1-CE1 3.5Å; D243-Y246 PolarHBondContact OD1-OH 2.8Å |
| 247 | T | 96.1 | Very high | 75.8 | Confident | 66 Ų | 66 | 95 Ų | 95 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.9 | 169.4 | -56.2 | 0 | 0 | 0 | 0 | 110 | Y205 K206 L208 | Y205-T247 WeakPolarHBondContact CA-O 3.36Å; K206-T247 PolarHBondContact N-O 3.25Å; K206-T247 PolarHBondContact O-N 3.06Å; L208-T247 WeakPolarHBondContact CD1-OG1 3.35Å |
| 248 | K | 95.8 | Very high | 74.6 | Confident | 108 Ų | 108 | 93 Ų | 93 | 47% | 0.47 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.4 | 170.4 | -173.7 | -177.3 | -178.2 | -172.2 | 0 | 109 | S203 V204 Y205 | S203-K248 WeakPolarHBondContact OG-CE 3.47Å; V204-K248 CarbonylContact O-C 3.59Å; V204-K248 WeakPolarHBondContact O-CA 3.49Å; Y205-K248 HydrophobicContact CD1-CB 3.94Å; Y205-K248 HydrophobicContact CD1-CG 4.07Å; Y205-K248 HydrophobicContact CE1-CB 3.81Å; Y205-K248 HydrophobicContact CE1-CD 3.82Å; Y205-K248 HydrophobicContact CE1-CG 3.62Å; Y205-K248 WeakPolarHBondContact OH-CE 3.19Å |
| 249 | I | 93.4 | Very high | 73.2 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 29% | 0.292 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.3 | 177.2 | -55.3 | 165.7 | 0 | 0 | 0 | 106.5 | S203 V204 K206 | S203-I249 CarbonylContact C-O 3.54Å; S203-I249 WeakPolarHBondContact CA-O 3.29Å; V204-I249 HydrophobicContact CG2-CB 3.85Å; V204-I249 HydrophobicContact CG2-CG2 4.36Å; V204-I249 PolarHBondContact N-O 3.34Å; V204-I249 PolarHBondContact O-N 2.96Å; K206-I249 HydrophobicContact CB-CD1 4.09Å; K206-I249 HydrophobicContact CD-CD1 4.47Å |
| 250 | C | 91.1 | Very high | 72.1 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 49% | 0.493 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.7 | 174.6 | -61 | 0 | 0 | 0 | 0 | 108.4 | E252 | C250-E252 PolarHBondContact O-N 2.79Å |
| 251 | C | 81.4 | Confident | 70.1 | Confident | 54 Ų | 54 | 94.4 Ų | 94.4 | 37% | 0.365 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 99.7 | 169.6 | -60 | 0 | 0 | 0 | 0 | 107.9 | R202 T253 | R202-C251 WeakPolarHBondContact O-CB 3.43Å; R202-C251 PolarHBondContact O-N 2.95Å; C251-T253 PolarHBondContact O-N 3.31Å |
| 252 | E | 76.1 | Confident | 68.9 | Low | 150 Ų | 150 | 96.4 Ų | 96.4 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | trans | -77 | 116.9 | 163.6 | -166.3 | 165.9 | 109.6 | 0 | 0 | 107.5 | C250 I254 | C250-E252 PolarHBondContact O-N 2.79Å; E252-I254 PolarHBondContact O-N 2.96Å; E252-I254 VanDerWaalsContact O-N 3.17Å | ||
| 253 | T | 58.1 | Low | 66.2 | Low | 113 Ų | 113 | 100 Ų | 100 | 69% | 0.693 | 61% | 0.614 | S | S | * | * | trans | -78 | 98.6 | 173.4 | -57.4 | 0 | 0 | 0 | 0 | 106.8 | C251 E255 | C251-T253 PolarHBondContact O-N 3.31Å; T253-E255 PolarHBondContact O-N 3.06Å | ||
| 254 | I | 54.1 | Low | 64.1 | Low | 138 Ų | 138 | 102.8 Ų | 102.8 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | trans | -74.1 | 115.3 | 164.8 | -46.1 | 174.8 | 0 | 0 | 0 | 105.3 | E252 A256 | E252-I254 PolarHBondContact O-N 2.96Å; E252-I254 VanDerWaalsContact O-N 3.17Å; I254-A256 PolarHBondContact O-N 2.92Å | ||
| 255 | E | 45.4 | Very low | 61.3 | Low | 172 Ų | 172 | 100.9 Ų | 100.9 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | trans | -51.8 | 106.2 | 170.9 | -70.5 | -82.3 | 116.6 | 0 | 0 | 109.1 | T253 G257 | T253-E255 PolarHBondContact O-N 3.06Å; E255-G257 PolarHBondContact O-N 3.41Å | ||
| 256 | A | 46.1 | Very low | 59 | Low | 109 Ų | 109 | 103.3 Ų | 103.3 | 90% | 0.901 | 67% | 0.668 | S | S | * | * | trans | -76.1 | 79 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | I254 | I254-A256 PolarHBondContact O-N 2.92Š| ||
| 257 | G | 40.6 | Very low | 56 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | trans | -98.8 | 101.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E255 | E255-G257 PolarHBondContact O-N 3.41Š| ||
| 258 | S | 37 | Very low | 53.1 | Low | 123 Ų | 123 | 107.6 Ų | 107.6 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | 64.3 | 108.4 | 154.6 | -50.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 259 | G | 38.8 | Very low | 49.9 | Very low | 72 Ų | 72 | 106 Ų | 106 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -78.4 | 162.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 260 | P | 43.5 | Very low | 48 | Very low | 140 Ų | 140 | 109.7 Ų | 109.7 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | -135.5 | 161.8 | 78.1 | 33.9 | -17.4 | 0 | 0 | 0 | 116.6 | |||||
| 261 | S | 33.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -52.1 | -171.9 | 179 | -153 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 262 | P | 56.3 | Low | 43 | Very low | 121 Ų | 121 | 116.2 Ų | 116.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -126.1 | 162.8 | -67.1 | 35.2 | -19.2 | 0 | 0 | 0 | 114.8 | |||||
| 263 | G | 28.6 | Very low | 41.2 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 104.9 | 167 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 264 | P | 46.3 | Very low | 39.8 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | cis | -118.3 | 169.3 | -24.3 | 36.7 | -21.1 | 0 | 0 | 0 | 113.2 | ||||
| 265 | S | 36.6 | Very low | 38.7 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -62.4 | 166.1 | 172.7 | -55 | 0 | 0 | 0 | 0 | 114 | ||||
| 266 | P | 45.5 | Very low | 37.9 | Very low | 132 Ų | 132 | 115.1 Ų | 115.1 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | -134.4 | 167.8 | 113.5 | 35.2 | -22.9 | 0 | 0 | 0 | 115.5 | |||||
| 267 | A | 32.7 | Very low | 37.4 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -59.3 | 143.5 | -162 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 268 | A | 35.1 | Very low | 36.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | trans | 25.6 | 127 | 132.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 269 | G | 29.3 | Very low | 36.8 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -169.7 | 138.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 270 | P | 51.8 | Low | 36.8 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -98.8 | 143.6 | -159.3 | 36.6 | -31.5 | 0 | 0 | 0 | 114.4 | ||||
| 271 | A | 31.5 | Very low | 36.6 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -162.4 | 112.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 272 | Q | 35.6 | Very low | 37.1 | Very low | 170 Ų | 170 | 123 Ų | 123 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | 42.9 | 111.4 | 128.4 | -61.5 | -93.1 | -21.9 | 0 | 0 | 121.1 | |||||
| 273 | Q | 39.1 | Very low | 36.4 | Very low | 170 Ų | 170 | 123.2 Ų | 123.2 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 27.6 | 117 | 135.1 | -51.4 | -173.5 | 15.4 | 0 | 0 | 121.2 | ||||
| 274 | T | 29 | Very low | 36.8 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 169.2 | 127.6 | 125.6 | -86.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 275 | L | 31.6 | Very low | 36.3 | Very low | 179 Ų | 179 | 130 Ų | 130 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | 50 | 117.4 | 150.1 | -158.7 | 74.9 | 0 | 0 | 0 | 121 | ||||
| 276 | G | 27.5 | Very low | 36.1 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 164.3 | 117.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 277 | Q | 36.1 | Very low | 35.4 | Very low | 186 Ų | 186 | 126.9 Ų | 126.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 44.3 | 104.5 | 150.8 | -75.8 | 160 | 23.6 | 0 | 0 | 117.7 | S279 | Q277-S279 PolarHBondContact O-N 2.97Š| ||
| 278 | T | 27.2 | Very low | 35.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | -63.4 | 98.5 | 162.7 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 279 | S | 36.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 141.4 | 174.7 | 26.9 | 0 | 0 | 0 | 0 | 111.1 | Q277 A281 | Q277-S279 PolarHBondContact O-N 2.97Å; S279-A281 PolarHBondContact O-N 2.95Å | ||
| 280 | A | 39.3 | Very low | 35.5 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -53.3 | 127.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L282 | A280-L282 PolarHBondContact O-N 2.96Å; A280-L282 VanDerWaalsContact O-N 3.12Å | ||
| 281 | A | 39.2 | Very low | 34.9 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 115.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S279 L283 | S279-A281 PolarHBondContact O-N 2.95Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 HydrophobicContact CB-CG 4.26Å; A281-L283 PolarHBondContact O-N 2.91Å | ||
| 282 | L | 43.7 | Very low | 35 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -61.4 | 96.2 | 160.6 | -80.4 | 163 | 0 | 0 | 0 | 107.9 | A280 | A280-L282 PolarHBondContact O-N 2.96Å; A280-L282 VanDerWaalsContact O-N 3.12Å | ||
| 283 | L | 42.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -102.8 | 109.2 | 168.6 | -69.4 | 172.2 | 0 | 0 | 0 | 107.8 | A281 W285 | A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 HydrophobicContact CB-CG 4.26Å; A281-L283 PolarHBondContact O-N 2.91Å; L283-W285 PolarHBondContact O-N 3.35Å | ||
| 284 | S | 36 | Very low | 34.7 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -53 | 116.9 | 163.2 | -86.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 285 | W | 36.7 | Very low | 34.7 | Very low | 216 Ų | 216 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -87 | 111.3 | 170.8 | 67.7 | -65 | 0 | 0 | 0 | 108.1 | L283 | L283-W285 PolarHBondContact O-N 3.35Š| ||
| 286 | A | 30.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -77.1 | 117.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | C288 | A286-C288 PolarHBondContact O-N 2.86Š| ||
| 287 | S | 31.9 | Very low | 34.9 | Very low | 91 Ų | 91 | 128 Ų | 128 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -60 | 120.7 | 176.2 | -162.4 | 0 | 0 | 0 | 0 | 110 | G289 | S287-G289 VanDerWaalsContact C-N 3.34Å; S287-G289 PolarHBondContact O-N 3.24Å; S287-G289 VanDerWaalsContact O-N 3.07Å | ||
| 288 | C | 30.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 85.1 | 173.3 | -49.3 | 0 | 0 | 0 | 0 | 108.6 | A286 | A286-C288 PolarHBondContact O-N 2.86Š| ||
| 289 | G | 29.7 | Very low | 35.2 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 126.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S287 | S287-G289 VanDerWaalsContact C-N 3.34Å; S287-G289 PolarHBondContact O-N 3.24Å; S287-G289 VanDerWaalsContact O-N 3.07Å | ||
| 290 | S | 39 | Very low | 34.9 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -62.8 | 140.8 | 163.6 | -51.3 | 0 | 0 | 0 | 0 | 109.7 | S292 | S290-S292 PolarHBondContact O-N 2.72Å; S290-S292 VanDerWaalsContact O-N 3.17Å | ||
| 291 | P | 38 | Very low | 34.5 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -76.7 | 107.5 | 170.9 | 29.6 | -29.8 | 0 | 0 | 0 | 109.2 | ||||
| 292 | S | 35.2 | Very low | 34.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -86.5 | 140 | 155.6 | -163.4 | 0 | 0 | 0 | 0 | 108.4 | S290 | S290-S292 PolarHBondContact O-N 2.72Å; S290-S292 VanDerWaalsContact O-N 3.17Å | ||
| 293 | G | 36.3 | Very low | 33.8 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -64.3 | 160.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 294 | S | 31.6 | Very low | 33.4 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -141.1 | 107.7 | 155.2 | -64.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 295 | E | 29.2 | Very low | 33.3 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | -12 | 135.5 | 128.9 | -106.2 | 179.1 | 72.5 | 0 | 0 | 113.1 | |||||
| 296 | L | 35.9 | Very low | 32.9 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | cis | -165.5 | 153.7 | 47.2 | -91.1 | 124.3 | 0 | 0 | 0 | 105.6 | ||||
| 297 | Q | 27.7 | Very low | 32.9 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | -178 | 139.3 | 64.9 | -137.8 | 176.1 | 36.9 | 0 | 0 | 109.4 | |||||
| 298 | I | 35 | Very low | 32.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -89.5 | 151.5 | 175.8 | -59.4 | 158.1 | 0 | 0 | 0 | 109.4 | A300 | I298-A300 VanDerWaalsContact CG2-N 3.27Š| ||
| 299 | P | 33.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -134.3 | 118.4 | 114 | 8.8 | 13.5 | 0 | 0 | 0 | 111.7 | |||||
| 300 | A | 30.7 | Very low | 33.4 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | 70.9 | 101.9 | 82.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I298 | I298-A300 VanDerWaalsContact CG2-N 3.27Š| |||
| 301 | T | 30.3 | Very low | 33.3 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 95% | 0.945 | 81% | 0.811 | S | S | * | * | trans | -142.9 | 149.5 | 142.4 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 302 | H | 31.1 | Very low | 33.8 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -94.9 | 150.3 | -149.3 | -120.6 | -128.1 | 0 | 0 | 0 | 114.3 | ||||
| 303 | R | 37.1 | Very low | 33.6 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 63% | 0.634 | 81% | 0.807 | S | S | * | * | trans | -8.6 | 156.8 | 150.1 | -133.7 | -171.1 | -176.2 | 127.7 | 15.1 | 118.8 | R305 | R303-R305 VanDerWaalsContact CZ-CD 3.41Å; R303-R305 VanDerWaalsContact CZ-NE 3.25Å; R303-R305 VanDerWaalsContact NE-CG 3.33Å | ||
| 304 | P | 34.5 | Very low | 33.5 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | -132.3 | 156.5 | 103.2 | 36.3 | -27 | 0 | 0 | 0 | 115.1 | |||||
| 305 | R | 34 | Very low | 33.6 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -103.2 | 141.4 | 176.7 | -135.6 | 176.6 | -165.1 | -135.3 | 4 | 106.7 | R303 | R303-R305 VanDerWaalsContact CZ-CD 3.41Å; R303-R305 VanDerWaalsContact CZ-NE 3.25Å; R303-R305 VanDerWaalsContact NE-CG 3.33Å | ||
| 306 | S | 28.4 | Very low | 34.2 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -153.1 | 155.6 | 157.3 | -82.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 307 | N | 31.4 | Very low | 34.7 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -103.2 | 166.4 | -147.1 | -150.6 | 34.8 | 0 | 0 | 0 | 112.2 | ||||
| 308 | S | 31.6 | Very low | 35.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 145.8 | 178.4 | -53 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 309 | S | 35 | Very low | 35.7 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 171.3 | 140.9 | 141.8 | 51.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 310 | S | 35.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -161.8 | 162.6 | 17.9 | 40.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 311 | L | 37.4 | Very low | 35.7 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -55.3 | 179.8 | -178.6 | -94.4 | 74.8 | 0 | 0 | 0 | 116.8 | ||||
| 312 | P | 48.2 | Very low | 36.1 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | cis | -134 | 166.1 | -6.8 | 30.1 | -9.1 | 0 | 0 | 0 | 116 | ||||
| 313 | G | 30.7 | Very low | 36.2 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 149.3 | 108.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 314 | G | 34.2 | Very low | 36.1 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 95 | 79.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 315 | T | 33.5 | Very low | 36.4 | Very low | 145 Ų | 145 | 130 Ų | 130 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 48 | 112.3 | 138.1 | 45 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 316 | R | 42.9 | Very low | 36.5 | Very low | 231 Ų | 231 | 126.3 Ų | 126.3 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -31.5 | 175.4 | 149.5 | -99.5 | -178.1 | 69.2 | -154.6 | 7.1 | 117.1 | ||||
| 317 | P | 44.8 | Very low | 36.8 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 60% | 0.597 | 79% | 0.793 | S | S | * | * | cis | -140.6 | 167.9 | -29.5 | 37.3 | -19.6 | 0 | 0 | 0 | 115.2 | ||||
| 318 | S | 36.8 | Very low | 37 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -70.3 | 163.9 | 152.1 | -60.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 319 | P | 46.8 | Very low | 37.6 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -150.7 | 143.3 | 99.6 | 36 | -17.1 | 0 | 0 | 0 | 116.9 | |||||
| 320 | L | 33.9 | Very low | 37.7 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 41.1 | 132.8 | 131.7 | -70 | 155.9 | 0 | 0 | 0 | 122.6 | ||||
| 321 | S | 32 | Very low | 37.9 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | 107.2 | 126.6 | 125.8 | -82.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 322 | Q | 37.3 | Very low | 37.8 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 101.1 | 109.8 | 137.5 | -73.9 | 178.7 | 89.4 | 0 | 0 | 121.8 | ||||
| 323 | S | 33.2 | Very low | 37.6 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 80.1 | 134 | 122.1 | -49.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 324 | A | 35.2 | Very low | 38.4 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58 | 152.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 325 | P | 42.2 | Very low | 39.1 | Very low | 129 Ų | 129 | 143 Ų | 143 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 121 | 163.5 | 32 | -26.3 | 0 | 0 | 0 | 111.6 | ||
| 326 | S | 35.8 | Very low | 39.4 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128 | 163.5 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | F328 | S326-F328 PolarHBondContact O-N 3.48Š|
| 327 | S | 33.3 | Very low | 39.1 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -80.3 | 100.4 | 171.5 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 328 | F | 35.8 | Very low | 38.7 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -99.4 | 126.1 | 171.2 | -166.3 | -100.5 | 0 | 0 | 0 | 109.6 | S326 Q330 | S326-F328 PolarHBondContact O-N 3.48Å; F328-Q330 PolarHBondContact O-N 3Å | ||
| 329 | W | 44.1 | Very low | 38.3 | Very low | 223 Ų | 223 | 148 Ų | 148 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 123.7 | -176.3 | -64.9 | 89.8 | 0 | 0 | 0 | 111.3 | I331 | W329-I331 PolarHBondContact O-N 3.07Š| ||
| 330 | Q | 37.8 | Very low | 37.6 | Very low | 199 Ų | 199 | 149 Ų | 149 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -67.6 | 113 | 170.3 | -84.3 | 160 | -89.1 | 0 | 0 | 110.1 | F328 | F328-Q330 PolarHBondContact O-N 3Š| ||
| 331 | I | 39.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -98.6 | 119.1 | 161.5 | -63.5 | 170.1 | 0 | 0 | 0 | 106.6 | W329 | W329-I331 PolarHBondContact O-N 3.07Š| ||
| 332 | H | 36.8 | Very low | 38.2 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | -67.5 | 129.9 | 177.8 | -157 | -98.3 | 0 | 0 | 0 | 109.5 | E334 | H332-E334 IonicContact CE1-OE1 3.2Å; H332-E334 IonicContact CE1-OE2 3.61Å; H332-E334 PolarHBondContact CE1-OE2 3Å; H332-E334 IonicContact ND1-OE1 3.71Å; H332-E334 PolarHBondContact ND1-OE1 3.48Å; H332-E334 IonicContact ND1-OE2 2.9Å; H332-E334 PolarHBondContact ND1-OE2 3.33Å | ||
| 333 | T | 43.3 | Very low | 38 | Very low | 106 Ų | 106 | 144 Ų | 144 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -148.7 | 102.1 | 163.2 | -55.1 | 0 | 0 | 0 | 0 | 108.8 | H335 | T333-H335 PolarHBondContact O-N 2.8Š| ||
| 334 | E | 47.3 | Very low | 38.2 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 62% | 0.621 | 79% | 0.794 | S | S | * | * | trans | -65 | 109.8 | 169.3 | 40.3 | -96.7 | 102.3 | 0 | 0 | 112 | H332 | H332-E334 IonicContact CE1-OE1 3.2Å; H332-E334 IonicContact CE1-OE2 3.61Å; H332-E334 PolarHBondContact CE1-OE2 3Å; H332-E334 IonicContact ND1-OE1 3.71Å; H332-E334 PolarHBondContact ND1-OE1 3.48Å; H332-E334 IonicContact ND1-OE2 2.9Å; H332-E334 PolarHBondContact ND1-OE2 3.33Å | ||
| 335 | H | 48.9 | Very low | 38.1 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -138.1 | 108 | 155.4 | -79.3 | -66.4 | 0 | 0 | 0 | 111 | T333 Y337 | T333-H335 PolarHBondContact O-N 2.8Å; H335-Y337 PolarHBondContact O-N 2.9Å | ||
| 336 | L | 39.5 | Very low | 37.6 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -53.9 | 113.4 | 158.9 | -73.3 | 151.2 | 0 | 0 | 0 | 109.5 | ||||
| 337 | Y | 37.3 | Very low | 37.5 | Very low | 231 Ų | 231 | 151.5 Ų | 151.5 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -144.5 | 113.5 | 147 | -128.7 | -93.8 | 0 | 0 | 0 | 108.9 | H335 | H335-Y337 PolarHBondContact O-N 2.9Š| ||
| 338 | Q | 36.8 | Very low | 37.6 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -94.5 | 121.6 | -179.9 | -178.7 | 152.6 | 6.1 | 0 | 0 | 108.9 | ||||
| 339 | A | 27.9 | Very low | 38.1 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -156.8 | 134.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 340 | C | 31.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 146 Ų | 146 | 91% | 0.905 | 78% | 0.782 | S | S | * | * | trans | 88.5 | 112.4 | 155.9 | -131.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 341 | S | 37.2 | Very low | 37.8 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 172.2 | 174.3 | 63.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 342 | P | 42 | Very low | 38.3 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | -135 | 126.8 | 115.6 | 33.8 | -20.8 | 0 | 0 | 0 | 115 | |||||
| 343 | V | 33.6 | Very low | 38 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | 22.5 | 113.7 | 136.9 | -176.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 344 | Q | 36.9 | Very low | 37.6 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -141.2 | 140.2 | 142.9 | -77.3 | -60.9 | -30 | 0 | 0 | 110.2 | ||||
| 345 | V | 33.1 | Very low | 37 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 134.3 | -166.1 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 346 | S | 31.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -169.9 | 116.3 | 144.5 | -93 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 347 | M | 33.2 | Very low | 35.8 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | 39.4 | 113.6 | 146.6 | -47.5 | -157.7 | 82.7 | 0 | 0 | 120.6 | ||||
| 348 | A | 35.3 | Very low | 36 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 169 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 349 | P | 46.2 | Very low | 36.5 | Very low | 89 Ų | 89 | 131 Ų | 131 | 58% | 0.578 | 77% | 0.774 | S | S | * | * | -155.7 | 171.3 | 66.1 | 40.5 | -18.8 | 0 | 0 | 0 | 118.3 | |||||
| 350 | R | 34.8 | Very low | 36.8 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | 85.9 | 131.4 | 161.2 | -52.2 | 177.3 | -105.9 | -97.6 | 5.4 | 114.9 | ||||
| 351 | S | 40.7 | Very low | 36.8 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | cis | -171.2 | 167.4 | -5.2 | 55.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 352 | P | 49.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -111.9 | 162.1 | -150.1 | 40.2 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 353 | C | 30.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 174.3 | 149 | 136.8 | -115.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 354 | S | 34.5 | Very low | 37.4 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 57% | 0.566 | 79% | 0.79 | S | S | * | * | cis | 175.9 | 139.1 | -19.5 | -96.5 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 355 | Q | 36.4 | Very low | 37.1 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | 55.7 | 118.9 | 142.9 | -56.9 | -174.4 | -20.2 | 0 | 0 | 117.3 | ||||
| 356 | G | 31.8 | Very low | 37.3 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | cis | 94.7 | 109 | 49.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 357 | W | 31.7 | Very low | 37.5 | Very low | 262 Ų | 262 | 129.7 Ų | 129.7 | 99% | 0.992 | 79% | 0.785 | S | S | * | * | trans | 173.5 | 122.2 | 139.2 | -92.1 | -29.4 | 0 | 0 | 0 | 111.4 | ||||
| 358 | T | 40.6 | Very low | 37.6 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 153.7 | 141.9 | 57.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 359 | P | 46.3 | Very low | 37.7 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -156.2 | 168.7 | 71.2 | 38 | -15.4 | 0 | 0 | 0 | 118.1 | |||||
| 360 | S | 34.7 | Very low | 37.5 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | 53.3 | 132.3 | 145.4 | -80.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 361 | G | 31.4 | Very low | 37.6 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | 154 | 124.1 | 126.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 362 | S | 34.9 | Very low | 37.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 100.5 | 112.7 | 152.4 | 74.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 363 | V | 42.1 | Very low | 37.2 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -96.8 | 154.8 | 154.3 | -107.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 364 | P | 48.5 | Very low | 37.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | -150.3 | 143.3 | 94.6 | 33.4 | -13.2 | 0 | 0 | 0 | 117.2 | |||||
| 365 | G | 31.5 | Very low | 37.9 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | 87.6 | 105.9 | 122.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 366 | H | 35.8 | Very low | 38.1 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | -167.8 | 135 | 123.4 | 41 | -91 | 0 | 0 | 0 | 111.5 | |||||
| 367 | S | 37.8 | Very low | 38.9 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -89.4 | 140.8 | -176.9 | 42.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 368 | N | 35.3 | Very low | 39.4 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -175.2 | 156 | 131.2 | -101.8 | -58.1 | 0 | 0 | 0 | 113.5 | ||||
| 369 | A | 36.1 | Very low | 39.8 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 63% | 0.628 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 157.7 | -157.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 370 | P | 41.5 | Very low | 40.2 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 122.7 | -178.9 | 32 | -32 | 0 | 0 | 0 | 113.2 | ||
| 371 | M | 37.8 | Very low | 41 | Very low | 174 Ų | 174 | 137 Ų | 137 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 124.3 | 170.3 | -40.6 | -178 | -165 | 0 | 0 | 108.7 | K373 | M371-K373 PolarHBondContact O-N 3.15Š|
| 372 | V | 41.3 | Very low | 42.1 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120 | 177 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 373 | K | 40.4 | Very low | 42.9 | Very low | 191 Ų | 191 | 135 Ų | 135 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 123 | 176.2 | -58.8 | 168.8 | -176.9 | 176.5 | 0 | 109.2 | M371 | M371-K373 PolarHBondContact O-N 3.15Š|
| 374 | P | 39.3 | Very low | 43.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.1 | 169.9 | -9 | 25.4 | 0 | 0 | 0 | 109.9 | C376 | P374-C376 PolarHBondContact O-N 3.45Š|
| 375 | R | 40.9 | Very low | 43.2 | Very low | 246 Ų | 246 | 138 Ų | 138 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -74.8 | 104.7 | 173.1 | -151.6 | -179.9 | -158.6 | 151.4 | 2 | 107.8 | R377 | R375-R377 PolarHBondContact O-N 2.93Š| ||
| 376 | C | 40.7 | Very low | 44.3 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 121.3 | 174 | -68.4 | 0 | 0 | 0 | 0 | 110.2 | P374 | P374-C376 PolarHBondContact O-N 3.45Š|
| 377 | R | 47.2 | Very low | 45.1 | Very low | 230 Ų | 230 | 139.1 Ų | 139.1 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 133.7 | 162.7 | -59.8 | -170 | 100.3 | 177.5 | 5.3 | 107.8 | R375 V379 | R375-R377 PolarHBondContact O-N 2.93Å; R377-V379 PolarHBondContact O-N 3.23Å |
| 378 | S | 43.3 | Very low | 45.6 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.8 | 177.2 | -44.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 379 | V | 49.1 | Very low | 46 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 65% | 0.648 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 137.5 | 175 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | R377 E383 | R377-V379 PolarHBondContact O-N 3.23Å; V379-E383 HydrophobicContact CG1-CB 3.75Å; V379-E383 HydrophobicContact CG1-CG 4.44Å; V379-E383 WeakPolarHBondContact CG1-OE2 3.28Å |
| 380 | S | 55 | Low | 46.4 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 148.3 | 179.5 | 70.9 | 0 | 0 | 0 | 0 | 111 | G382 E383 | S380-G382 PolarHBondContact O-N 3.24Å; S380-E383 PolarHBondContact O-N 3.19Å; S380-E383 VanDerWaalsContact O-N 3.15Å; S380-E383 PolarHBondContact OG-OE2 2.89Å |
| 381 | V | 51.6 | Low | 46.5 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -18 | -176.2 | 175.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 382 | G | 54.4 | Low | 46.5 | Very low | 50 Ų | 50 | 145.8 Ų | 145.8 | 52% | 0.515 | 74% | 0.736 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -25.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S380 | S380-G382 PolarHBondContact O-N 3.24Š|
| 383 | E | 50.6 | Low | 46.4 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 49% | 0.491 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -84.6 | -19.2 | -170.4 | -69.5 | 170 | 96.2 | 0 | 0 | 113.4 | V379 S380 | V379-E383 HydrophobicContact CG1-CB 3.75Å; V379-E383 HydrophobicContact CG1-CG 4.44Å; V379-E383 WeakPolarHBondContact CG1-OE2 3.28Å; S380-E383 PolarHBondContact O-N 3.19Å; S380-E383 VanDerWaalsContact O-N 3.15Å; S380-E383 PolarHBondContact OG-OE2 2.89Å |
| 384 | Q | 47.1 | Very low | 46.6 | Very low | 150 Ų | 150 | 145 Ų | 145 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -73.5 | -29.5 | 179.1 | -174.4 | 168.9 | -24.9 | 0 | 0 | 113 | ||
| 385 | W | 50.8 | Low | 46.4 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -72 | -32.3 | -179.2 | -170.1 | 83.9 | 0 | 0 | 0 | 112.6 | ||
| 386 | L | 53.9 | Low | 46.4 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -74.8 | -28.4 | -176.7 | -72.2 | 165.3 | 0 | 0 | 0 | 113.2 | ||
| 387 | Q | 52.4 | Low | 46.4 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -78.8 | -26.8 | 177.7 | -74.9 | -177.7 | 36 | 0 | 0 | 113.2 | N389 | Q387-N389 VanDerWaalsContact C-N 3.35Å; Q387-N389 PolarHBondContact O-N 3.1Å |
| 388 | Q | 48.6 | Very low | 46.2 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -80.7 | -14.2 | -175.6 | -147.9 | 175.4 | -8.6 | 0 | 0 | 113.7 | ||
| 389 | N | 44.8 | Very low | 45.9 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | 2.9 | -176.7 | -142 | -16 | 0 | 0 | 0 | 114 | Q387 | Q387-N389 VanDerWaalsContact C-N 3.35Å; Q387-N389 PolarHBondContact O-N 3.1Å |
| 390 | R | 44.6 | Very low | 46.1 | Very low | 223 Ų | 223 | 139.2 Ų | 139.2 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -91.4 | 6.8 | -177 | -152.3 | -179 | 179.2 | -171.9 | 0.3 | 114.4 | ||
| 391 | L | 42.2 | Very low | 45.2 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -129.8 | 79.6 | 178.3 | -61.4 | 176.1 | 0 | 0 | 0 | 110.2 | ||||
| 392 | Q | 37.3 | Very low | 44.7 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -130.5 | 129.2 | 158.5 | -71.9 | -61.5 | -49.5 | 0 | 0 | 109.2 | ||||
| 393 | P | 40.3 | Very low | 43.7 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -70.4 | 140.7 | -176.9 | -14.7 | 29.1 | 0 | 0 | 0 | 112.7 | S395 | P393-S395 PolarHBondContact O-N 3.29Š| ||
| 394 | M | 44.1 | Very low | 43.4 | Very low | 197 Ų | 197 | 146 Ų | 146 | 97% | 0.97 | 76% | 0.763 | S | S | * | * | trans | -54.4 | 127 | 169.3 | -67.2 | -86.8 | 161.6 | 0 | 0 | 110.6 | ||||
| 395 | S | 36.4 | Very low | 43.3 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -133.9 | 136.3 | 167.1 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | P393 | P393-S395 PolarHBondContact O-N 3.29Š| ||
| 396 | V | 40.2 | Very low | 43.1 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -73.2 | 136.1 | -162.1 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 397 | S | 41.1 | Very low | 42.5 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -63.2 | 142.8 | 172.1 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 398 | P | 43.3 | Very low | 41.9 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -105.6 | 142.3 | 152.5 | 2.9 | 17.6 | 0 | 0 | 0 | 112.4 | ||||
| 399 | S | 36.7 | Very low | 41.8 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -68 | 160.9 | -175.9 | -172.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 400 | R | 52.2 | Low | 41.9 | Very low | 218 Ų | 218 | 153 Ų | 153 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | -54.3 | 125.9 | 173.4 | -168.8 | -168.8 | -72 | -91.8 | -3.7 | 112.1 | ||||
| 401 | N | 36.6 | Very low | 41.8 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 164.7 | 130.2 | 130.2 | -81.8 | -14 | 0 | 0 | 0 | 113.1 | ||||
| 402 | H | 41.5 | Very low | 42.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 64.6 | 101.6 | 155.9 | -144 | -99.6 | 0 | 0 | 0 | 119.7 | ||||
| 403 | C | 32.5 | Very low | 43.6 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -156.4 | 102.8 | 140 | -161 | 0 | 0 | 0 | 0 | 111.7 | F405 | C403-F405 PolarHBondContact O-N 3.41Š| ||
| 404 | S | 45.3 | Very low | 45.4 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | trans | -73.2 | 58 | 171.4 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 405 | F | 43.6 | Very low | 47.1 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 80% | 0.803 | 70% | 0.703 | S | S | * | * | trans | -147.8 | 77.2 | 174.5 | -75.9 | -80.3 | 0 | 0 | 0 | 111.6 | C403 | C403-F405 PolarHBondContact O-N 3.41Š| ||
| 406 | R | 47.3 | Very low | 49.4 | Very low | 247 Ų | 247 | 131.9 Ų | 131.9 | 93% | 0.932 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -115.2 | 94.2 | 150.4 | -67.9 | -158.8 | -131.5 | -102.3 | 4.3 | 108.6 | ||
| 407 | K | 40.6 | Very low | 51.4 | Low | 198 Ų | 198 | 133.4 Ų | 133.4 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | trans | 41.7 | 97.8 | 140.1 | -151.2 | 139.9 | 177.2 | 175.3 | 0 | 114 | R409 | K407-R409 PolarHBondContact O-N 3.2Š| ||
| 408 | G | 41.7 | Very low | 53.3 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 94% | 0.938 | 66% | 0.663 | S | S | * | * | trans | -47.9 | 91.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 409 | R | 45.3 | Very low | 55.1 | Low | 245 Ų | 245 | 127.6 Ų | 127.6 | 93% | 0.925 | 63% | 0.634 | S | S | * | * | trans | -108.4 | 78.2 | 172.2 | -166.2 | 179.2 | -151.7 | -143 | 4.7 | 107.3 | K407 | K407-R409 PolarHBondContact O-N 3.2Š| ||
| 410 | G | 46.3 | Very low | 57.2 | Low | 54 Ų | 54 | 123.2 Ų | 123.2 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | trans | 52.7 | 101.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A412 | G410-A412 PolarHBondContact O-N 3.47Š| ||
| 411 | E | 43.2 | Very low | 58.6 | Low | 127 Ų | 127 | 116.5 Ų | 116.5 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | trans | -75.4 | 48.7 | 166.8 | -158.8 | -129.7 | 137 | 0 | 0 | 110.1 | K413 D442 | E411-K413 PolarHBondContact O-N 3Å; E411-K413 VanDerWaalsContact OE1-CE 3.32Å; E411-K413 WeakPolarHBondContact OE1-CE 3.5Å; E411-K413 WeakPolarHBondContact OE1-CG 3.33Å; E411-D442 PolarHBondContact N-OD2 3.37Å | ||
| 412 | A | 56.1 | Low | 60.8 | Low | 41 Ų | 41 | 117.8 Ų | 117.8 | 34% | 0.339 | 59% | 0.593 | S | S | . | * | trans | -64.3 | 103.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | G410 K414 | G410-A412 PolarHBondContact O-N 3.47Å; A412-K414 PolarHBondContact O-N 3.28Å | ||
| 413 | K | 62.2 | Low | 62.6 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | trans | -56.3 | 107.3 | -177.7 | -72.9 | 168.5 | -179.7 | 133.7 | 0 | 109.1 | E411 V418 F440 | E411-K413 PolarHBondContact O-N 3Å; E411-K413 VanDerWaalsContact OE1-CE 3.32Å; E411-K413 WeakPolarHBondContact OE1-CE 3.5Å; E411-K413 WeakPolarHBondContact OE1-CG 3.33Å; K413-V418 HydrophobicContact CB-CG2 3.86Å; K413-F440 WeakPolarHBondContact O-CD2 3.33Å | ||
| 414 | K | 76.7 | Confident | 65 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | trans | -57.7 | 142.5 | 177 | 61.5 | -173.9 | 177.9 | -170.2 | 0 | 110.5 | A412 R416 K417 V418 | A412-K414 PolarHBondContact O-N 3.28Å; K414-R416 HydrophobicContact CD-CB 4.48Å; K414-R416 HydrophobicContact CG-CB 4.37Å; K414-R416 PolarHBondContact O-N 3.12Å; K414-K417 HydrophobicContact CG-CB 3.74Å; K414-K417 WeakPolarHBondContact O-CA 3.31Å; K414-K417 WeakPolarHBondContact O-CB 3.16Å; K414-K417 PolarHBondContact O-N 3.31Å; K414-V418 PolarHBondContact O-N 3.35Å | ||
| 415 | C | 81.1 | Confident | 66.9 | Low | 0 Ų | 0 | 116.7 Ų | 116.7 | 0% | 0 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -52.1 | -32.6 | 177.5 | -73 | 0 | 0 | 0 | 0 | 113.4 | K417 V418 Y419 W427 C428 C431 C437 | C415-K417 VanDerWaalsContact C-N 3.27Å; C415-K417 PolarHBondContact O-N 3.28Å; C415-V418 PolarHBondContact O-N 3.33Å; C415-Y419 HydrophobicContact CB-CD2 4.09Å; C415-Y419 WeakPolarHBondContact O-CB 3.49Å; C415-Y419 PolarHBondContact O-N 3.27Å; C415-W427 HydrophobicContact CB-CB 3.99Å; C415-W427 HydrophobicContact CB-CG 3.81Å; C415-C428 PolarHBondContact SG-N 3.35Å; C415-C428 VanDerWaalsContact SG-N 3.41Å; C415-C431 HydrophobicContact CB-CB 3.94Å; C415-C431 PolarHBondContact SG-SG 3.33Å; C415-C437 VanDerWaalsContact SG-SG 3.61Å |
| 416 | R | 84.2 | Confident | 68.8 | Low | 137 Ų | 137 | 111.5 Ų | 111.5 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -30.8 | 174.7 | -172.2 | 177.6 | -67.5 | -175 | -4.3 | 113.5 | K414 G420 W427 | K414-R416 HydrophobicContact CD-CB 4.48Å; K414-R416 HydrophobicContact CG-CB 4.37Å; K414-R416 PolarHBondContact O-N 3.12Å; R416-G420 VanDerWaalsContact O-CA 3.3Å; R416-G420 WeakPolarHBondContact O-CA 3.15Å; R416-G420 PolarHBondContact O-N 3.37Å; R416-W427 HydrophobicContact CB-CH2 4.04Å; R416-W427 HydrophobicContact CB-CZ2 3.65Å; R416-W427 HydrophobicContact CG-CH2 3.87Å; R416-W427 HydrophobicContact CG-CZ2 3.6Å |
| 417 | K | 82.7 | Confident | 70.7 | Confident | 166 Ų | 166 | 100.5 Ų | 100.5 | 72% | 0.722 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.7 | -32 | 178.3 | -172.4 | 67.5 | 174 | 178.9 | 0 | 111.6 | K414 C415 | K414-K417 HydrophobicContact CG-CB 3.74Å; K414-K417 WeakPolarHBondContact O-CA 3.31Å; K414-K417 WeakPolarHBondContact O-CB 3.16Å; K414-K417 PolarHBondContact O-N 3.31Å; C415-K417 VanDerWaalsContact C-N 3.27Å; C415-K417 PolarHBondContact O-N 3.28Å |
| 418 | V | 79.9 | Confident | 72.8 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -85.2 | -47.9 | -179.1 | -179.1 | 0 | 0 | 0 | 0 | 112 | K413 K414 C415 F440 | K413-V418 HydrophobicContact CB-CG2 3.86Å; K414-V418 PolarHBondContact O-N 3.35Å; C415-V418 PolarHBondContact O-N 3.33Å; V418-F440 HydrophobicContact CB-CE2 4.31Å; V418-F440 HydrophobicContact CB-CZ 4.24Å; V418-F440 HydrophobicContact CG1-CE2 4.49Å; V418-F440 HydrophobicContact CG1-CZ 3.93Å; V418-F440 HydrophobicContact CG2-CD2 4.37Å; V418-F440 HydrophobicContact CG2-CE2 3.94Å; V418-F440 HydrophobicContact CG2-CZ 4.06Å |
| 419 | Y | 80.7 | Confident | 74.6 | Confident | 58 Ų | 58 | 92.9 Ų | 92.9 | 23% | 0.227 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -98.2 | -10.8 | -172.9 | -63.1 | -74.2 | 0 | 0 | 0 | 113.9 | C415 R423 Q426 F440 | C415-Y419 HydrophobicContact CB-CD2 4.09Å; C415-Y419 WeakPolarHBondContact O-CB 3.49Å; C415-Y419 PolarHBondContact O-N 3.27Å; Y419-R423 PolarHBondContact O-NE 3.37Å; Y419-Q426 HydrophobicContact CD1-CB 4.11Å; Y419-Q426 HydrophobicContact CE1-CB 4.4Å; Y419-Q426 HydrophobicContact CG-CB 4.18Å; Y419-F440 HydrophobicContact CE2-CE2 4.08Å; Y419-F440 AromaticContact CE2-CZ 3.79Å; Y419-F440 HydrophobicContact CE2-CZ 3.79Å |
| 420 | G | 82.1 | Confident | 76.1 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R416 W427 | R416-G420 VanDerWaalsContact O-CA 3.3Å; R416-G420 WeakPolarHBondContact O-CA 3.15Å; R416-G420 PolarHBondContact O-N 3.37Å; G420-W427 VanDerWaalsContact O-CZ2 3.31Å; G420-W427 WeakPolarHBondContact O-CZ2 3.49Å; G420-W427 PolarHBondContact O-NE1 3.28Å |
| 421 | V | 82.2 | Confident | 77.8 | Confident | 76 Ų | 76 | 80.7 Ų | 80.7 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.9 | 177.9 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | K424 W427 | V421-K424 WeakPolarHBondContact O-CE 3.26Å; V421-K424 WeakPolarHBondContact O-CG 3.41Å; V421-W427 HydrophobicContact CG2-CH2 4.43Å |
| 422 | E | 81.9 | Confident | 79.1 | Confident | 171 Ų | 171 | 81.8 Ų | 81.8 | 80% | 0.799 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -37.5 | -179.3 | -67.5 | -61.5 | 120 | 0 | 0 | 112.4 | K424 | E422-K424 PolarHBondContact O-N 3.38Š|
| 423 | R | 80.2 | Confident | 79.6 | Confident | 121 Ų | 121 | 88.9 Ų | 88.9 | 46% | 0.457 | 42% | 0.415 | S | S | . | . | trans | -99.9 | 61 | -176.5 | -63.9 | -177.9 | -64.9 | -179.5 | -2.2 | 112.4 | Y419 D425 Q426 W427 | Y419-R423 PolarHBondContact O-NE 3.37Å; R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 VanDerWaalsContact CA-OD1 3.28Å; R423-D425 WeakPolarHBondContact CA-OD1 3.33Å; R423-D425 PolarHBondContact O-N 2.82Å; R423-Q426 HydrophobicContact CB-CG 4.37Å; R423-Q426 PolarHBondContact O-N 2.07Å; R423-W427 PolarHBondContact O-NE1 3.33Å | ||
| 424 | K | 82.8 | Confident | 79.5 | Confident | 119 Ų | 119 | 90.7 Ų | 90.7 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | trans | -68.9 | -25.1 | -179.8 | -60.9 | 176.4 | -178 | 166.5 | 0 | 112.9 | V421 E422 Q426 W427 | V421-K424 WeakPolarHBondContact O-CE 3.26Å; V421-K424 WeakPolarHBondContact O-CG 3.41Å; E422-K424 PolarHBondContact O-N 3.38Å; K424-Q426 VanDerWaalsContact C-N 3.26Å; K424-Q426 PolarHBondContact O-N 3.02Å; K424-W427 HydrophobicContact CB-CD2 4.47Å; K424-W427 HydrophobicContact CG-CH2 4.16Å; K424-W427 HydrophobicContact CG-CZ2 4.15Å; K424-W427 HydrophobicContact CG-CZ3 4.44Å; K424-W427 WeakPolarHBondContact O-CB 3.3Å; K424-W427 PolarHBondContact O-N 3.28Å | ||
| 425 | D | 85.3 | Confident | 78.7 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 58% | 0.578 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -38.3 | 173.5 | 62.2 | -50.9 | 0 | 0 | 0 | 111.5 | R423 W427 | R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 VanDerWaalsContact CA-OD1 3.28Å; R423-D425 WeakPolarHBondContact CA-OD1 3.33Å; R423-D425 PolarHBondContact O-N 2.82Å; D425-W427 VanDerWaalsContact C-N 3.25Å; D425-W427 PolarHBondContact O-N 3.34Å |
| 426 | Q | 82.4 | Confident | 77.7 | Confident | 74 Ų | 74 | 98.2 Ų | 98.2 | 35% | 0.346 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.9 | 179 | -54.8 | -172.6 | 28 | 0 | 0 | 113.5 | Y419 R423 K424 | Y419-Q426 HydrophobicContact CD1-CB 4.11Å; Y419-Q426 HydrophobicContact CE1-CB 4.4Å; Y419-Q426 HydrophobicContact CG-CB 4.18Å; R423-Q426 HydrophobicContact CB-CG 4.37Å; R423-Q426 PolarHBondContact O-N 2.07Å; K424-Q426 VanDerWaalsContact C-N 3.26Å; K424-Q426 PolarHBondContact O-N 3.02Å |
| 427 | W | 87.8 | Confident | 77.2 | Confident | 17 Ų | 17 | 92.2 Ų | 92.2 | 6% | 0.064 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -74.3 | 137.9 | 177.6 | -67.4 | 11 | 0 | 0 | 0 | 111 | C415 R416 G420 V421 R423 K424 D425 C431 R432 | C415-W427 HydrophobicContact CB-CB 3.99Å; C415-W427 HydrophobicContact CB-CG 3.81Å; R416-W427 HydrophobicContact CB-CH2 4.04Å; R416-W427 HydrophobicContact CB-CZ2 3.65Å; R416-W427 HydrophobicContact CG-CH2 3.87Å; R416-W427 HydrophobicContact CG-CZ2 3.6Å; G420-W427 VanDerWaalsContact O-CZ2 3.31Å; G420-W427 WeakPolarHBondContact O-CZ2 3.49Å; G420-W427 PolarHBondContact O-NE1 3.28Å; V421-W427 HydrophobicContact CG2-CH2 4.43Å; R423-W427 PolarHBondContact O-NE1 3.33Å; K424-W427 HydrophobicContact CB-CD2 4.47Å; K424-W427 HydrophobicContact CG-CH2 4.16Å; K424-W427 HydrophobicContact CG-CZ2 4.15Å; K424-W427 HydrophobicContact CG-CZ3 4.44Å; K424-W427 WeakPolarHBondContact O-CB 3.3Å; K424-W427 PolarHBondContact O-N 3.28Å; D425-W427 VanDerWaalsContact C-N 3.25Å; D425-W427 PolarHBondContact O-N 3.34Å; W427-C431 HydrophobicContact CB-CB 4.38Å; W427-R432 HydrophobicContact CB-CG 4.17Å |
| 428 | C | 84.4 | Confident | 76.4 | Confident | 16 Ų | 16 | 92.5 Ų | 92.5 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | trans | -56.3 | 147.4 | 170.7 | 93 | 0 | 0 | 0 | 0 | 110.4 | C415 A430 C431 R432 | C415-C428 PolarHBondContact SG-N 3.35Å; C415-C428 VanDerWaalsContact SG-N 3.41Å; C428-A430 VanDerWaalsContact C-N 3.27Å; C428-A430 PolarHBondContact O-N 2.9Å; C428-C431 HydrophobicContact CB-CB 4.13Å; C428-C431 WeakPolarHBondContact CB-SG 3.47Å; C428-C431 WeakPolarHBondContact O-CA 3.46Å; C428-C431 VanDerWaalsContact O-CB 3.26Å; C428-C431 WeakPolarHBondContact O-CB 3.29Å; C428-C431 PolarHBondContact O-N 3.28Å; C428-C431 WeakPolarHBondContact SG-CB 3.39Å; C428-C431 PolarHBondContact SG-N 2.86Å; C428-C431 CovalentContact SG-SG 2.07Å; C428-C431 PolarHBondContact SG-SG 2.79Å; C428-R432 PolarHBondContact O-N 3.48Å | ||
| 429 | T | 79.7 | Confident | 75.7 | Confident | 112 Ų | 112 | 97.8 Ų | 97.8 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.8 | -43.2 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | C431 R432 W433 | T429-C431 PolarHBondContact O-N 2.92Å; T429-R432 PolarHBondContact O-N 2.85Å; T429-W433 PolarHBondContact O-NE1 3.33Å |
| 430 | A | 76.6 | Confident | 74.7 | Confident | 28 Ų | 28 | 97.7 Ų | 97.7 | 23% | 0.231 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.8 | -28.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C428 K434 A436 | C428-A430 VanDerWaalsContact C-N 3.27Å; C428-A430 PolarHBondContact O-N 2.9Å; A430-K434 CarbonylContact O-C 3.55Å; A430-K434 WeakPolarHBondContact O-CA 3.13Å; A430-K434 WeakPolarHBondContact O-CB 3.46Å; A430-K434 PolarHBondContact O-N 2.78Å; A430-A436 WeakPolarHBondContact CB-O 3.15Å |
| 431 | C | 80.9 | Confident | 73.4 | Confident | 16 Ų | 16 | 101.6 Ų | 101.6 | 11% | 0.108 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -83.9 | -17.1 | -177.8 | -53.5 | 0 | 0 | 0 | 0 | 113.4 | C415 W427 C428 T429 W433 C437 | C415-C431 HydrophobicContact CB-CB 3.94Å; C415-C431 PolarHBondContact SG-SG 3.33Å; W427-C431 HydrophobicContact CB-CB 4.38Å; C428-C431 HydrophobicContact CB-CB 4.13Å; C428-C431 WeakPolarHBondContact CB-SG 3.47Å; C428-C431 WeakPolarHBondContact O-CA 3.46Å; C428-C431 VanDerWaalsContact O-CB 3.26Å; C428-C431 WeakPolarHBondContact O-CB 3.29Å; C428-C431 PolarHBondContact O-N 3.28Å; C428-C431 WeakPolarHBondContact SG-CB 3.39Å; C428-C431 PolarHBondContact SG-N 2.86Å; C428-C431 CovalentContact SG-SG 2.07Å; C428-C431 PolarHBondContact SG-SG 2.79Å; T429-C431 PolarHBondContact O-N 2.92Å; C431-W433 VanDerWaalsContact C-N 3.34Å; C431-C437 WeakPolarHBondContact SG-CB 3.39Å; C431-C437 PolarHBondContact SG-SG 3.02Å |
| 432 | R | 72.1 | Confident | 72 | Confident | 149 Ų | 149 | 106 Ų | 106 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.2 | -33 | 177.7 | -76.2 | -176 | 174.8 | -160 | 1.8 | 112 | W427 C428 T429 | W427-R432 HydrophobicContact CB-CG 4.17Å; C428-R432 PolarHBondContact O-N 3.48Å; T429-R432 PolarHBondContact O-N 2.85Å |
| 433 | W | 65.5 | Low | 71.5 | Confident | 190 Ų | 190 | 102.8 Ų | 102.8 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -128.1 | -13.6 | -174.1 | 51.4 | -77.1 | 0 | 0 | 0 | 114.6 | T429 C431 | T429-W433 PolarHBondContact O-NE1 3.33Å; C431-W433 VanDerWaalsContact C-N 3.34Å |
| 434 | K | 61.3 | Low | 71.1 | Confident | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.609 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -133.2 | 160.3 | 179.1 | -108.5 | 174.7 | -179 | 174.1 | 0 | 113.5 | A430 A436 | A430-K434 CarbonylContact O-C 3.55Å; A430-K434 WeakPolarHBondContact O-CA 3.13Å; A430-K434 WeakPolarHBondContact O-CB 3.46Å; A430-K434 PolarHBondContact O-N 2.78Å; K434-A436 VanDerWaalsContact C-N 3.32Å; K434-A436 PolarHBondContact O-N 3.43Å |
| 435 | K | 59.9 | Low | 70.4 | Confident | 219 Ų | 219 | 100.9 Ų | 100.9 | 95% | 0.952 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -86.5 | 23 | -179 | -65.1 | -166.6 | -176.5 | -173.3 | 0 | 114.7 | ||
| 436 | A | 58.5 | Low | 69.5 | Low | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | trans | -119.6 | 114.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | A430 K434 | A430-A436 WeakPolarHBondContact CB-O 3.15Å; K434-A436 VanDerWaalsContact C-N 3.32Å; K434-A436 PolarHBondContact O-N 3.43Å | ||
| 437 | C | 73.5 | Confident | 68.7 | Low | 12 Ų | 12 | 102.1 Ų | 102.1 | 8% | 0.081 | 49% | 0.494 | C | S | . | . | trans | -98.5 | 121.4 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | C415 C431 | C415-C437 VanDerWaalsContact SG-SG 3.61Å; C431-C437 WeakPolarHBondContact SG-CB 3.39Å; C431-C437 PolarHBondContact SG-SG 3.02Å | ||
| 438 | Q | 66.3 | Low | 67.5 | Low | 172 Ų | 172 | 107.8 Ų | 107.8 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -90.5 | -12.3 | 178.3 | -143.4 | 105.1 | 9.3 | 0 | 0 | 112.9 | ||
| 439 | R | 64.8 | Low | 66.2 | Low | 171 Ų | 171 | 114.4 Ų | 114.4 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -79.9 | -23.4 | -173.3 | -102.4 | -173.3 | 177.5 | -166.5 | -1.8 | 114 | P441 | R439-P441 WeakPolarHBondContact O-CD 3.32Š|
| 440 | F | 60.6 | Low | 65.2 | Low | 56 Ų | 56 | 114.5 Ų | 114.5 | 25% | 0.246 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -113.4 | 97 | 175.8 | -58 | -74.3 | 0 | 0 | 0 | 106.8 | K413 V418 Y419 | K413-F440 WeakPolarHBondContact O-CD2 3.33Å; V418-F440 HydrophobicContact CB-CE2 4.31Å; V418-F440 HydrophobicContact CB-CZ 4.24Å; V418-F440 HydrophobicContact CG1-CE2 4.49Å; V418-F440 HydrophobicContact CG1-CZ 3.93Å; V418-F440 HydrophobicContact CG2-CD2 4.37Å; V418-F440 HydrophobicContact CG2-CE2 3.94Å; V418-F440 HydrophobicContact CG2-CZ 4.06Å; Y419-F440 HydrophobicContact CE2-CE2 4.08Å; Y419-F440 AromaticContact CE2-CZ 3.79Å; Y419-F440 HydrophobicContact CE2-CZ 3.79Å |
| 441 | P | 54.7 | Low | 64.3 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | trans | -58.9 | 146.2 | 157.2 | 27.9 | -31.1 | 0 | 0 | 0 | 108.1 | R439 | R439-P441 WeakPolarHBondContact O-CD 3.32Š| ||
| 442 | D | 53 | Low | 62.8 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 61% | 0.61 | S | S | * | * | trans | -47.4 | 0 | 174.7 | -172.4 | -111.1 | 0 | 0 | 0 | 111.6 | E411 | E411-D442 PolarHBondContact N-OD2 3.37Š|
Retrieved 442 of 442 residues in 113.8 ms
(Link to these results)