| 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 | 55.1 | Low | 65.6 | Low | 241 Ų | 241 | 161.8 Ų | 161.8 | 100% | 1.187 | 86% | 0.862 | S | S | * | * | 0 | 134.9 | 0 | -78.8 | -172.5 | 150.2 | 0 | 0 | 108.1 | |||||
| 2 | A | 51.8 | Low | 65.9 | Low | 97 Ų | 97 | 158.3 Ų | 158.3 | 80% | 0.802 | 86% | 0.859 | S | S | * | * | trans | -66.3 | 127.5 | -156.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3 | S | 65.1 | Low | 65.6 | Low | 120 Ų | 120 | 152.8 Ų | 152.8 | 84% | 0.839 | 85% | 0.849 | S | S | * | * | trans | -92.4 | 120.4 | 167.2 | -57.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | V | 66 | Low | 65.2 | Low | 135 Ų | 135 | 149.6 Ų | 149.6 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -111.6 | 105 | 177.9 | -144.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 5 | S | 69 | Low | 64.8 | Low | 121 Ų | 121 | 151.1 Ų | 151.1 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | trans | -86.8 | 113.1 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | R | 76.7 | Confident | 64.3 | Low | 245 Ų | 245 | 147.7 Ų | 147.7 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -95.3 | 123.4 | 167.4 | -98.2 | -179.2 | 174.4 | 178.1 | -2 | 109.2 | ||||
| 7 | H | 71.2 | Confident | 64 | Low | 178 Ų | 178 | 145.8 Ų | 145.8 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | trans | -97.8 | 120.2 | 174.9 | -153.2 | -87.1 | 0 | 0 | 0 | 107.6 | S9 | H7-S9 PolarHBondContact CE1-OG 3.12Å; H7-S9 VanDerWaalsContact CE1-OG 3.3Å; H7-S9 PolarHBondContact ND1-OG 3.48Å; H7-S9 VanDerWaalsContact ND1-OG 3.09Å | ||
| 8 | E | 55.7 | Low | 63.8 | Low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -120.1 | 123.9 | 175.1 | -158.3 | 155.7 | 99.3 | 0 | 0 | 107.6 | ||||
| 9 | S | 72.3 | Confident | 63.6 | Low | 79 Ų | 79 | 145.3 Ų | 145.3 | 55% | 0.552 | 84% | 0.842 | S | S | * | * | trans | -144.2 | 100.1 | -175.5 | -50 | 0 | 0 | 0 | 0 | 110.8 | H7 | H7-S9 PolarHBondContact CE1-OG 3.12Å; H7-S9 VanDerWaalsContact CE1-OG 3.3Å; H7-S9 PolarHBondContact ND1-OG 3.48Å; H7-S9 VanDerWaalsContact ND1-OG 3.09Å | ||
| 10 | K | 67.8 | Low | 63.2 | Low | 201 Ų | 201 | 143.7 Ų | 143.7 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | 41.6 | 97.5 | 135.5 | -65 | 178.8 | 177.5 | 174.2 | 0 | 117.9 | ||||
| 11 | D | 71.2 | Confident | 62.7 | Low | 173 Ų | 173 | 140.6 Ų | 140.6 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -75.7 | 125.8 | 155.9 | -70.3 | -51.3 | 0 | 0 | 0 | 110.5 | ||||
| 12 | S | 68.6 | Low | 62.6 | Low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -104.8 | 122.5 | 178.7 | 24.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 13 | A | 61.7 | Low | 62.7 | Low | 88 Ų | 88 | 133.7 Ų | 133.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | 8.8 | 127.2 | 151 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 14 | S | 60.1 | Low | 62.1 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | 55.3 | 111.8 | 130.7 | 66.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 15 | N | 60.2 | Low | 61.3 | Low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -128.6 | 110.7 | 146.3 | -98.1 | -31.9 | 0 | 0 | 0 | 110.2 | ||||
| 16 | A | 56.8 | Low | 60.8 | Low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -74.2 | 139.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | S | 58 | Low | 59.6 | Low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 91.7 | 153.2 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | S | 60.6 | Low | 59.1 | Low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -71.7 | 118.5 | 164.9 | 48.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 19 | N | 60.7 | Low | 58.9 | Low | 171 Ų | 171 | 123.4 Ų | 123.4 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -109.5 | 87.1 | 169.6 | -126.8 | 46.9 | 0 | 0 | 0 | 108.3 | ||||
| 20 | S | 54.5 | Low | 58.3 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -86.4 | 105.1 | 166.7 | 41.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 21 | G | 52.9 | Low | 57.4 | Low | 78 Ų | 78 | 120 Ų | 120 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -105 | 97.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | S | 54.2 | Low | 56.4 | Low | 124 Ų | 124 | 117.4 Ų | 117.4 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 140.7 | 164.6 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 23 | G | 53.3 | Low | 55.7 | Low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -171.5 | 81.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 24 | S | 53.2 | Low | 55 | Low | 111 Ų | 111 | 120.2 Ų | 120.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 52 | 108.1 | 149.5 | 64 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 25 | S | 49.2 | Very low | 54.6 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -59.7 | 147.2 | 150 | 39.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 26 | S | 57.6 | Low | 54.1 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -151.2 | 80.8 | 170.8 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 27 | D | 51.9 | Low | 53.6 | Low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 128.6 | 167.3 | -61.7 | -58.8 | 0 | 0 | 0 | 108.5 | ||||
| 28 | S | 60 | Low | 53.3 | Low | 107 Ų | 107 | 120.9 Ų | 120.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -141.6 | 91 | 168.5 | 30.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 29 | E | 51.3 | Low | 52.7 | Low | 189 Ų | 189 | 120.5 Ų | 120.5 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -69.9 | 123 | 162.2 | -64.4 | -83.4 | 117.7 | 0 | 0 | 108.4 | ||||
| 30 | T | 60.3 | Low | 52.3 | Low | 139 Ų | 139 | 124 Ų | 124 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -137 | 120 | 159 | 43.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 31 | G | 49.8 | Very low | 52 | Low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -95.4 | -156.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 32 | S | 50.6 | Low | 52.2 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 83.2 | 111.2 | 177.3 | -28.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 33 | S | 52.5 | Low | 52.2 | Low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | 116.2 | 115.9 | 53.3 | 57.3 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 34 | E | 47.1 | Very low | 52.2 | Low | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 70.5 | 148.9 | 134.5 | -56.5 | -177.2 | 133.5 | 0 | 0 | 121.6 | ||||
| 35 | T | 52.7 | Low | 52.3 | Low | 139 Ų | 139 | 127.5 Ų | 127.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 109.2 | 134.1 | 153.2 | 73.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 36 | S | 48.6 | Very low | 52.6 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -96.3 | 162.8 | -160.9 | -0.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 37 | D | 46.8 | Very low | 52.5 | Low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | 60.2 | 115.7 | 140.6 | -157.6 | 9.8 | 0 | 0 | 0 | 119.2 | ||||
| 38 | S | 52 | Low | 52.7 | Low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -170.3 | 110.6 | 135.5 | 22.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 39 | S | 48.5 | Very low | 52.3 | Low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -53.2 | 140.4 | 154.2 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 40 | R | 51.7 | Low | 52.4 | Low | 245 Ų | 245 | 127.4 Ų | 127.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -169.7 | 121.3 | 149.2 | -102.5 | 150.6 | -173.2 | -147.3 | 1.3 | 113 | ||||
| 41 | S | 46.9 | Very low | 52.2 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -49.6 | 148.9 | 168.4 | 48.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 42 | S | 58.3 | Low | 52.6 | Low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -157.7 | 134.6 | 136.9 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | S | 53.9 | Low | 52.7 | Low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -69.9 | 152.8 | -177.9 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 44 | G | 53.1 | Low | 52.6 | Low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -160.1 | 88.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 45 | T | 56.1 | Low | 52.7 | Low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -68 | 148.6 | 172.4 | 49 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | R | 55.7 | Low | 53 | Low | 229 Ų | 229 | 125.4 Ų | 125.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 178.9 | 114.5 | 133 | -99.4 | 164.2 | 147.2 | -143.5 | -14.3 | 114 | ||||
| 47 | S | 54.8 | Low | 53.2 | Low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | 32.3 | 139.9 | 128.3 | 56.9 | 0 | 0 | 0 | 0 | 119 | |||||
| 48 | S | 55.4 | Low | 53.3 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | cis | 170.8 | 162.1 | 15.6 | 38.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 49 | A | 52.4 | Low | 53.3 | Low | 102 Ų | 102 | 130 Ų | 130 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 120.5 | 106.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 50 | S | 53.3 | Low | 53.6 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -77.3 | 153.8 | 167.5 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 51 | S | 55.8 | Low | 53.6 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -170 | 117.5 | 135.3 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 52 | V | 59.2 | Low | 53.4 | Low | 149 Ų | 149 | 131.5 Ų | 131.5 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -95.2 | 140.5 | 164.6 | -72.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 53 | A | 52.6 | Low | 53.1 | Low | 101 Ų | 101 | 130.4 Ų | 130.4 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -159.5 | 115.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | S | 49.3 | Very low | 53 | Low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 156.2 | 165 | 42.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 55 | S | 50.6 | Low | 52.9 | Low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 171.6 | 122.2 | 124.8 | -72.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 56 | S | 57.9 | Low | 52.5 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | 54.3 | 111.9 | 135.1 | 59.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 57 | R | 53.2 | Low | 52.2 | Low | 260 Ų | 260 | 135.8 Ų | 135.8 | 98% | 0.981 | 78% | 0.782 | S | S | * | * | 50.7 | 135.4 | 113.3 | -68.8 | -178.1 | 169.1 | 150.6 | -2.6 | 122.9 | |||||
| 58 | G | 49.4 | Very low | 52 | Low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 138.9 | 106.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 59 | V | 52.3 | Low | 51.7 | Low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | cis | 74.9 | 116.2 | 48 | -172.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 60 | L | 53.4 | Low | 51.2 | Low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | 64.7 | 148.7 | 166.9 | -95.9 | 82.1 | 0 | 0 | 0 | 116.1 | ||||
| 61 | E | 53.2 | Low | 50.6 | Low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | cis | -162.9 | 157 | 26.2 | -160.4 | 168.3 | 112.4 | 0 | 0 | 110.1 | ||||
| 62 | E | 41.4 | Very low | 50.2 | Low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -87.3 | 133 | 175 | 174.2 | 177.8 | 126 | 0 | 0 | 110.9 | ||||
| 63 | S | 53.1 | Low | 49.8 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -175.9 | 115.6 | 147.9 | -91.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 64 | R | 50.3 | Low | 49.9 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 51.1 | 121.7 | 123.2 | -74.8 | -176.7 | 175.1 | -140.7 | -1.5 | 121.8 | |||||
| 65 | K | 51.6 | Low | 49.8 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | 77 | 124.3 | 124.6 | -111.4 | 177.4 | 179.8 | 177.3 | 0 | 121 | |||||
| 66 | K | 46.9 | Very low | 49.9 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | 74.3 | 121.6 | 129.5 | -99.1 | -172 | 168.4 | -158.1 | 0 | 120.3 | |||||
| 67 | Q | 49.9 | Very low | 49.5 | Very low | 145 Ų | 145 | 141 Ų | 141 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | 60 | 115.7 | 127.3 | -71 | 174.1 | -27.5 | 0 | 0 | 118.5 | |||||
| 68 | T | 50.5 | Low | 49 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | 164.3 | 114.2 | 130.2 | 42.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 69 | A | 49.6 | Very low | 49 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | 81.4 | 118.1 | 91.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 70 | G | 42.4 | Very low | 49.1 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | trans | 106 | 124 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 71 | G | 40.6 | Very low | 49.2 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 130.3 | 77.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 72 | R | 47.1 | Very low | 48.9 | Very low | 244 Ų | 244 | 145.8 Ų | 145.8 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | 52 | 98.6 | 80.5 | -67.3 | -170.6 | 120.3 | -165.8 | 2.2 | 115.5 | |||||
| 73 | T | 51.7 | Low | 49.1 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -158 | 99.2 | 141.2 | 53.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 74 | S | 53.3 | Low | 49 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 77.4 | 102.5 | 95.9 | 68.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 75 | S | 48.6 | Very low | 49.1 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 47.7 | 109.3 | 133.5 | 60.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 76 | S | 51.8 | Low | 48.8 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -162.6 | 108.7 | 139.2 | -155.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 77 | P | 48.6 | Very low | 49.1 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -93.2 | 172.6 | 160.9 | 34 | -24.1 | 0 | 0 | 0 | 110.5 | ||||
| 78 | E | 43.8 | Very low | 49.5 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | trans | 89.2 | 104.2 | 175.8 | -66.4 | -163.5 | 79.3 | 0 | 0 | 118.4 | ||||
| 79 | R | 48.9 | Very low | 49.8 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | 159.2 | 113.4 | 92.5 | -104.9 | 154.5 | -173.1 | -113.1 | 2.2 | 113 | |||||
| 80 | R | 54.5 | Low | 50 | Low | 230 Ų | 230 | 150.8 Ų | 150.8 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | 41.3 | 120.8 | 139.7 | -64.9 | -178.6 | 155.3 | -150.4 | -6.3 | 120.1 | N82 | R80-N82 PolarHBondContact O-N 3Š| ||
| 81 | P | 56.5 | Low | 50.3 | Low | 136 Ų | 136 | 158.3 Ų | 158.3 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -86.4 | 109.1 | 155.3 | 32.8 | -24.9 | 0 | 0 | 0 | 109.8 | ||||
| 82 | N | 45.3 | Very low | 50.6 | Low | 152 Ų | 152 | 166.5 Ų | 166.5 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -97.8 | 99.6 | 163.1 | -166.8 | 21.8 | 0 | 0 | 0 | 107.9 | R80 | R80-N82 PolarHBondContact O-N 3Š| ||
| 83 | R | 47.3 | Very low | 51 | Low | 220 Ų | 220 | 160.2 Ų | 160.2 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -159.7 | 100.4 | 150.3 | -137.8 | 167.8 | -179.4 | 174.7 | -0.6 | 112.5 | N85 | R83-N85 PolarHBondContact O-N 3.15Š| ||
| 84 | S | 50.2 | Low | 51.5 | Low | 101 Ų | 101 | 162.7 Ų | 162.7 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -41.9 | 93.7 | 152 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 85 | N | 51.2 | Low | 51.3 | Low | 146 Ų | 146 | 163.2 Ų | 163.2 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | -114.3 | 91.8 | 153.6 | -91.7 | 0.5 | 0 | 0 | 0 | 107.9 | R83 R87 | R83-N85 PolarHBondContact O-N 3.15Å; N85-R87 PolarHBondContact O-N 2.72Å; N85-R87 VanDerWaalsContact O-N 3.16Å | ||
| 86 | R | 46.4 | Very low | 51.3 | Low | 240 Ų | 240 | 169.1 Ų | 169.1 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -43 | 113.6 | 168.7 | -80.4 | 174.6 | 164.7 | -167.4 | -4.9 | 110.3 | P88 | R86-P88 WeakPolarHBondContact O-CD 3.35Š| ||
| 87 | R | 54.2 | Low | 51.1 | Low | 238 Ų | 238 | 170.5 Ų | 170.5 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.3 | 156 | -86.8 | 175.5 | 154.2 | -147.3 | -3.3 | 109.1 | N85 | N85-R87 PolarHBondContact O-N 2.72Å; N85-R87 VanDerWaalsContact O-N 3.16Å |
| 88 | P | 56.5 | Low | 51.7 | Low | 127 Ų | 127 | 171.3 Ų | 171.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78 | 127.4 | 160.9 | -7.8 | 25.9 | 0 | 0 | 0 | 109.4 | R86 | R86-P88 WeakPolarHBondContact O-CD 3.35Š|
| 89 | S | 56.6 | Low | 52 | Low | 102 Ų | 102 | 169.6 Ų | 169.6 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58 | 151.9 | 179.2 | -47.4 | 0 | 0 | 0 | 0 | 113.8 | R91 | S89-R91 PolarHBondContact O-N 3.32Š|
| 90 | P | 55 | Low | 52 | Low | 127 Ų | 127 | 166.9 Ų | 166.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -73.3 | 113.5 | 174.4 | 30.2 | -30.1 | 0 | 0 | 0 | 109.2 | R92 | P90-R92 PolarHBondContact O-N 3.03Š| ||
| 91 | R | 48.4 | Very low | 51.3 | Low | 246 Ų | 246 | 163.7 Ų | 163.7 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 96.9 | 168.8 | -81.4 | -173.8 | 169.9 | -140 | -1.4 | 109 | S89 S93 | S89-R91 PolarHBondContact O-N 3.32Å; R91-S93 PolarHBondContact O-N 3.23Å; R91-S93 VanDerWaalsContact O-N 3.13Å | ||
| 92 | R | 47.3 | Very low | 50.5 | Low | 245 Ų | 245 | 160.2 Ų | 160.2 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -64.8 | 95.6 | 161.8 | -172.5 | 177.1 | -176.4 | -148.6 | 1.4 | 108.3 | P90 K94 | P90-R92 PolarHBondContact O-N 3.03Å; R92-K94 PolarHBondContact O-N 2.97Å | ||
| 93 | S | 56.1 | Low | 50.6 | Low | 113 Ų | 113 | 163.3 Ų | 163.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 119.9 | 170.2 | 35.8 | 0 | 0 | 0 | 0 | 109.5 | R91 | R91-S93 PolarHBondContact O-N 3.23Å; R91-S93 VanDerWaalsContact O-N 3.13Å |
| 94 | K | 62 | Low | 50.7 | Low | 185 Ų | 185 | 160.5 Ų | 160.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 147.9 | 175.6 | -62 | 176.6 | 173.6 | -175.5 | 0 | 111.3 | R92 | R92-K94 PolarHBondContact O-N 2.97Š|
| 95 | P | 48.5 | Very low | 50.7 | Low | 113 Ų | 113 | 164.5 Ų | 164.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136.9 | 164.7 | 32.1 | -30.3 | 0 | 0 | 0 | 108.3 | ||
| 96 | R | 49.5 | Very low | 50.6 | Low | 234 Ų | 234 | 168.2 Ų | 168.2 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -115.9 | 93.7 | 166 | -77.8 | -172.5 | 177.5 | -176.3 | -1.9 | 106.7 | V98 | R96-V98 PolarHBondContact O-N 2.95Š| ||
| 97 | D | 47.6 | Very low | 50.4 | Low | 151 Ų | 151 | 165.2 Ų | 165.2 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -63.5 | 113.3 | 152 | -57.9 | -74.2 | 0 | 0 | 0 | 106.8 | ||||
| 98 | V | 59.3 | Low | 50.2 | Low | 130 Ų | 130 | 165.3 Ų | 165.3 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 96.1 | 164 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | R96 | R96-V98 PolarHBondContact O-N 2.95Š| ||
| 99 | D | 51.6 | Low | 49.7 | Very low | 118 Ų | 118 | 167.7 Ų | 167.7 | 63% | 0.631 | 81% | 0.81 | S | S | * | * | trans | -65.1 | 148.9 | 167.4 | -155.9 | -1.6 | 0 | 0 | 0 | 110.8 | ||||
| 100 | Q | 48 | Very low | 49.1 | Very low | 150 Ų | 150 | 170.3 Ų | 170.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 54.2 | 134.2 | 150.6 | -80 | 159.2 | 56.3 | 0 | 0 | 122.4 | ||||
| 101 | N | 39.9 | Very low | 48.9 | Very low | 164 Ų | 164 | 170.5 Ų | 170.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | 99.3 | 128.8 | 137.1 | -103.2 | -12.7 | 0 | 0 | 0 | 120.6 | ||||
| 102 | G | 40.7 | Very low | 48.8 | Very low | 62 Ų | 62 | 165 Ų | 165 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | 95.9 | 71.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | E104 | G102-E104 PolarHBondContact O-N 3Š| ||
| 103 | K | 47.4 | Very low | 49 | Very low | 218 Ų | 218 | 158.2 Ų | 158.2 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 85.3 | 151.3 | -79.7 | -178.6 | 176.8 | 177.9 | 0 | 107.9 | ||||
| 104 | E | 49.1 | Very low | 48.4 | Very low | 161 Ų | 161 | 163.5 Ų | 163.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -90.2 | 113.7 | 164.7 | -79.8 | -175.9 | 161 | 0 | 0 | 109.2 | G102 R106 | G102-E104 PolarHBondContact O-N 3Å; E104-R106 PolarHBondContact O-N 3.02Å | ||
| 105 | E | 49.9 | Very low | 47.6 | Very low | 184 Ų | 184 | 161.4 Ų | 161.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -61.2 | 106.1 | 167.8 | -68 | 178.4 | 145.8 | 0 | 0 | 109.5 | H107 | E105-H107 PolarHBondContact O-N 2.92Š| ||
| 106 | R | 48.4 | Very low | 47.6 | Very low | 225 Ų | 225 | 159.9 Ų | 159.9 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 95 | 167.4 | -69.3 | -169.1 | -172.6 | -143.1 | -0.2 | 109.1 | E104 R108 | E104-R106 PolarHBondContact O-N 3.02Å; R106-R108 PolarHBondContact O-N 3.31Å | ||
| 107 | H | 43.3 | Very low | 47.9 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -46.6 | 117.9 | 156 | -100 | -126.4 | 0 | 0 | 0 | 109 | E105 | E105-H107 PolarHBondContact O-N 2.92Š| ||
| 108 | R | 48.8 | Very low | 47.5 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -97.1 | 99.9 | 171.7 | -138.8 | 178 | -160.9 | 166 | 3.7 | 106.6 | R106 Q110 | R106-R108 PolarHBondContact O-N 3.31Å; R108-Q110 PolarHBondContact O-N 2.94Å | ||
| 109 | E | 46.8 | Very low | 47.4 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 117.7 | 169.3 | -80.4 | 178.4 | 140.5 | 0 | 0 | 109 | V111 | E109-V111 PolarHBondContact O-N 3.13Š| ||
| 110 | Q | 44.2 | Very low | 47.2 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -81.3 | 102.9 | 170.9 | -177.7 | 163.9 | 12.8 | 0 | 0 | 107.2 | R108 D112 | R108-Q110 PolarHBondContact O-N 2.94Å; Q110-D112 PolarHBondContact NE2-OD1 3.23Å | ||
| 111 | V | 50.9 | Low | 47.6 | Very low | 131 Ų | 131 | 153 Ų | 153 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -99.6 | 96.4 | 169 | -75 | 0 | 0 | 0 | 0 | 108 | E109 A113 | E109-V111 PolarHBondContact O-N 3.13Å; V111-A113 PolarHBondContact O-N 2.7Å | ||
| 112 | D | 45.5 | Very low | 48.3 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -79.2 | 93.2 | 173.2 | -65.3 | -40.2 | 0 | 0 | 0 | 108.7 | Q110 | Q110-D112 PolarHBondContact NE2-OD1 3.23Š| ||
| 113 | A | 52.4 | Low | 49 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -94.8 | 106.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | V111 | V111-A113 PolarHBondContact O-N 2.7Š| ||
| 114 | Y | 43.5 | Very low | 49.6 | Very low | 225 Ų | 225 | 149.6 Ų | 149.6 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -81.6 | 119.8 | 169.2 | 71.9 | -80.7 | 0 | 0 | 0 | 108.2 | ||||
| 115 | D | 44.8 | Very low | 50 | Low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -124.6 | 136 | 153.5 | 94.5 | 22 | 0 | 0 | 0 | 108.7 | S117 | D115-S117 PolarHBondContact O-N 2.73Š| ||
| 116 | G | 48.6 | Very low | 50.5 | Low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -75.9 | 107.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 117 | S | 54.6 | Low | 50.9 | Low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -154.9 | 100.6 | 147.1 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | D115 V119 | D115-S117 PolarHBondContact O-N 2.73Å; S117-V119 PolarHBondContact O-N 3.17Å; S117-V119 VanDerWaalsContact O-N 3.13Å | ||
| 118 | G | 40.3 | Very low | 51.5 | Low | 89 Ų | 89 | 142.8 Ų | 142.8 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 106.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 119 | V | 56.1 | Low | 52 | Low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -136.5 | 109.2 | 158.6 | -157.3 | 0 | 0 | 0 | 0 | 107.1 | S117 V121 | S117-V119 PolarHBondContact O-N 3.17Å; S117-V119 VanDerWaalsContact O-N 3.13Å; V119-V121 WeakPolarHBondContact O-CG2 3.44Å; V119-V121 PolarHBondContact O-N 2.95Å | ||
| 120 | E | 48.5 | Very low | 52.4 | Low | 197 Ų | 197 | 137.7 Ų | 137.7 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -64.3 | 98.3 | 177.5 | -68 | -167 | 136.7 | 0 | 0 | 110.1 | A122 | E120-A122 PolarHBondContact O-N 2.84Š| ||
| 121 | V | 56.8 | Low | 53.1 | Low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -85.9 | 97 | 168.9 | -130.4 | 0 | 0 | 0 | 0 | 107.4 | V119 D123 | V119-V121 WeakPolarHBondContact O-CG2 3.44Å; V119-V121 PolarHBondContact O-N 2.95Å; V121-D123 PolarHBondContact O-N 3.2Å; V121-D123 VanDerWaalsContact O-N 3.17Å | ||
| 122 | A | 53.5 | Low | 53.5 | Low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | -52.4 | 120.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | E120 M124 | E120-A122 PolarHBondContact O-N 2.84Å; A122-M124 PolarHBondContact O-N 3.35Å | ||
| 123 | D | 55.4 | Low | 54.2 | Low | 137 Ų | 137 | 129.3 Ų | 129.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -54.4 | 101.4 | 173.4 | 176.5 | 45.5 | 0 | 0 | 0 | 110.9 | V121 G125 | V121-D123 PolarHBondContact O-N 3.2Å; V121-D123 VanDerWaalsContact O-N 3.17Å; D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact OD1-N 2.77Å | ||
| 124 | M | 60.2 | Low | 54.4 | Low | 151 Ų | 151 | 131.5 Ų | 131.5 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | -88 | 9.2 | 177.3 | -84.7 | -94.8 | -170.3 | 0 | 0 | 112.2 | A122 | A122-M124 PolarHBondContact O-N 3.35Š| ||
| 125 | G | 58.3 | Low | 55 | Low | 54 Ų | 54 | 127.7 Ų | 127.7 | 56% | 0.557 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -78.7 | -29.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D123 | D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact OD1-N 2.77Å |
| 126 | D | 59 | Low | 55.6 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -95.4 | -6.4 | -164.5 | -160.4 | 27 | 0 | 0 | 0 | 115.5 | R128 | D126-R128 VanDerWaalsContact C-N 3.35Å; D126-R128 PolarHBondContact O-N 3.38Å |
| 127 | R | 57.1 | Low | 56.1 | Low | 210 Ų | 210 | 131.8 Ų | 131.8 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -78.3 | -13.9 | -176.8 | -69.9 | -174.4 | -172.2 | 168.9 | 4.7 | 114.9 | ||
| 128 | R | 57.3 | Low | 56.3 | Low | 220 Ų | 220 | 133.9 Ų | 133.9 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -84 | -21.9 | -174.2 | -68.6 | -176 | -174.9 | 170.9 | 3.7 | 114.3 | D126 | D126-R128 VanDerWaalsContact C-N 3.35Å; D126-R128 PolarHBondContact O-N 3.38Å |
| 129 | K | 57.5 | Low | 57 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -83 | -17.9 | -179.1 | -72.7 | -178.3 | 178.3 | 176.2 | 0 | 114.2 | ||
| 130 | K | 56.9 | Low | 57.1 | Low | 134 Ų | 134 | 137.1 Ų | 137.1 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.7 | -18.8 | -175.8 | -160.6 | 166.4 | -174.2 | 168.9 | 0 | 114.3 | S133 R134 | K130-S133 PolarHBondContact O-OG 2.99Å; K130-R134 WeakPolarHBondContact O-CG 3.49Å |
| 131 | D | 58.2 | Low | 57.9 | Low | 80 Ų | 80 | 132.4 Ų | 132.4 | 43% | 0.428 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -80.7 | -36.4 | -179.8 | -163.5 | -4.4 | 0 | 0 | 0 | 112.1 | S133 R134 R135 | D131-S133 PolarHBondContact O-N 3.48Å; D131-R134 PolarHBondContact O-N 3.4Å; D131-R135 WeakPolarHBondContact O-CG 3.47Å; D131-R135 PolarHBondContact O-N 2.76Å; D131-R135 IonicContact OD1-CZ 3.64Å; D131-R135 IonicContact OD1-NE 3.74Å; D131-R135 PolarHBondContact OD1-NE 3.4Å; D131-R135 IonicContact OD1-NH2 3.48Å; D131-R135 PolarHBondContact OD1-NH2 3.41Å; D131-R135 IonicContact OD2-CZ 3.6Å; D131-R135 IonicContact OD2-NE 3.2Å; D131-R135 IonicContact OD2-NH2 2.8Å; D131-R135 PolarHBondContact OD2-NH2 2.76Å |
| 132 | D | 60 | Low | 58.5 | Low | 106 Ų | 106 | 130.3 Ų | 130.3 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64 | -43.6 | 178.7 | -101.8 | -42.3 | 0 | 0 | 0 | 112.7 | R134 R135 D136 | D132-R134 PolarHBondContact O-N 2.94Å; D132-R135 PolarHBondContact O-N 3.05Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-D136 PolarHBondContact O-N 3.38Å |
| 133 | S | 59.3 | Low | 59.4 | Low | 56 Ų | 56 | 129.5 Ų | 129.5 | 39% | 0.392 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.9 | -21.5 | 179.2 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | K130 D131 R137 | K130-S133 PolarHBondContact O-OG 2.99Å; D131-S133 PolarHBondContact O-N 3.48Å; S133-R137 PolarHBondContact O-N 2.8Å |
| 134 | R | 56.2 | Low | 60.7 | Low | 149 Ų | 149 | 130 Ų | 130 | 56% | 0.562 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.4 | -38.9 | 174.8 | -70.7 | 178.6 | 174.9 | -169.2 | -4.3 | 111.2 | K130 D131 D132 D136 R137 D138 | K130-R134 WeakPolarHBondContact O-CG 3.49Å; D131-R134 PolarHBondContact O-N 3.4Å; D132-R134 PolarHBondContact O-N 2.94Å; R134-D136 VanDerWaalsContact C-N 3.27Å; R134-D136 PolarHBondContact O-N 3.21Å; R134-R137 PolarHBondContact O-N 3.15Å; R134-D138 PolarHBondContact O-N 3.26Å |
| 135 | R | 56.4 | Low | 61.9 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67 | -28.9 | 178.4 | -66.4 | 175.9 | -169.3 | -166.1 | 2.7 | 112.7 | D131 D132 R139 | D131-R135 WeakPolarHBondContact O-CG 3.47Å; D131-R135 PolarHBondContact O-N 2.76Å; D131-R135 IonicContact OD1-CZ 3.64Å; D131-R135 IonicContact OD1-NE 3.74Å; D131-R135 PolarHBondContact OD1-NE 3.4Å; D131-R135 IonicContact OD1-NH2 3.48Å; D131-R135 PolarHBondContact OD1-NH2 3.41Å; D131-R135 IonicContact OD2-CZ 3.6Å; D131-R135 IonicContact OD2-NE 3.2Å; D131-R135 IonicContact OD2-NH2 2.8Å; D131-R135 PolarHBondContact OD2-NH2 2.76Å; D132-R135 PolarHBondContact O-N 3.05Å; D132-R135 VanDerWaalsContact O-N 3.15Å; R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.34Å |
| 136 | D | 58.2 | Low | 63.5 | Low | 94 Ų | 94 | 122.9 Ų | 122.9 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -84.9 | -26.1 | 176.1 | -70.6 | -35.6 | 0 | 0 | 0 | 113.9 | D132 R134 R139 | D132-D136 PolarHBondContact O-N 3.38Å; R134-D136 VanDerWaalsContact C-N 3.27Å; R134-D136 PolarHBondContact O-N 3.21Å; D136-R139 IonicContact OD1-NH1 3.3Å; D136-R139 PolarHBondContact OD1-NH1 3.37Å |
| 137 | R | 57.7 | Low | 65.1 | Low | 212 Ų | 212 | 121.4 Ų | 121.4 | 80% | 0.8 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.2 | -32.7 | 170.7 | -79.9 | -177.2 | -169.2 | 158.5 | 5.1 | 113.1 | S133 R134 R139 | S133-R137 PolarHBondContact O-N 2.8Å; R134-R137 PolarHBondContact O-N 3.15Å; R137-R139 VanDerWaalsContact C-N 3.33Å |
| 138 | D | 58.9 | Low | 67 | Low | 139 Ų | 139 | 111.4 Ų | 111.4 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -84.1 | -6.4 | 178.3 | -71.7 | -35.2 | 0 | 0 | 0 | 113.5 | R134 S140 | R134-D138 PolarHBondContact O-N 3.26Å; D138-S140 PolarHBondContact O-N 3.18Å |
| 139 | R | 56.5 | Low | 68.9 | Low | 186 Ų | 186 | 103.4 Ų | 103.4 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -75.6 | 61.2 | 160 | -80.7 | 172.3 | 173 | 160.6 | -4.5 | 109.8 | R135 D136 R137 A141 | R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.34Å; D136-R139 IonicContact OD1-NH1 3.3Å; D136-R139 PolarHBondContact OD1-NH1 3.37Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 3.47Å |
| 140 | S | 57 | Low | 70.7 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 64% | 0.643 | 47% | 0.474 | S | S | * | . | trans | 6.3 | 110.2 | 159.1 | 56 | 0 | 0 | 0 | 0 | 114.3 | D138 S142 | D138-S140 PolarHBondContact O-N 3.18Å; S140-S142 PolarHBondContact O-N 3.27Å | ||
| 141 | A | 65.5 | Low | 72.6 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 82% | 0.818 | 45% | 0.448 | S | S | * | . | trans | -35.4 | 113.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R139 | R139-A141 PolarHBondContact O-N 3.47Š| ||
| 142 | S | 68.7 | Low | 74.4 | Confident | 94 Ų | 94 | 90 Ų | 90 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 132.5 | -176 | 47 | 0 | 0 | 0 | 0 | 107.8 | S140 K144 | S140-S142 PolarHBondContact O-N 3.27Å; S142-K144 PolarHBondContact O-N 3.2Å |
| 143 | P | 73.9 | Confident | 76.1 | Confident | 67 Ų | 67 | 85.4 Ų | 85.4 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 117.7 | -175 | 19.1 | -27.9 | 0 | 0 | 0 | 107.7 | L222 | P143-L222 HydrophobicContact CG-CD1 4.15Å; P143-L222 WeakPolarHBondContact O-CD1 3.26Å |
| 144 | K | 82.2 | Confident | 77.8 | Confident | 146 Ų | 146 | 83.5 Ų | 83.5 | 64% | 0.635 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 128.5 | -177.8 | -65.4 | -176.3 | 179.1 | -174.9 | 0 | 108.2 | S142 T146 N196 | S142-K144 PolarHBondContact O-N 3.2Å; K144-T146 PolarHBondContact O-N 2.71Å; K144-T146 PolarHBondContact O-OG1 2.95Å; K144-N196 HydrophobicContact CB-CB 3.9Å; K144-N196 HydrophobicContact CD-CB 4.19Å |
| 145 | P | 84.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 85.5 Ų | 85.5 | 24% | 0.24 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 127.9 | -179 | 25.4 | -32.9 | 0 | 0 | 0 | 108.8 | N196 L199 P220 | P145-N196 PolarHBondContact O-ND2 2.93Å; P145-L199 WeakPolarHBondContact O-CD1 3.45Å; P145-P220 HydrophobicContact CB-CB 4.4Å; P145-P220 HydrophobicContact CG-CB 4.39Å |
| 146 | T | 91.7 | Very high | 81.3 | Confident | 19 Ų | 19 | 84 Ų | 84 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | trans | -111.2 | -2.1 | 177.3 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | K144 E192 Y193 R225 | K144-T146 PolarHBondContact O-N 2.71Å; K144-T146 PolarHBondContact O-OG1 2.95Å; T146-E192 HydrophobicContact CG2-CG 4.24Å; T146-E192 WeakPolarHBondContact O-CA 3.4Å; T146-Y193 WeakPolarHBondContact CG2-O 3.41Å; T146-Y193 PolarHBondContact O-N 3.1Å; T146-R225 PolarHBondContact OG1-NH2 3.44Å | ||
| 147 | R | 94.4 | Very high | 83 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.7 | -176.8 | -71.9 | 175.8 | 176.7 | -176.1 | 1.2 | 111.9 | L191 E192 L199 V221 Y223 | R147-L191 CarbonylContact C-O 3.5Å; R147-L191 WeakPolarHBondContact CA-O 3.4Å; R147-E192 HydrophobicContact CG-CB 3.68Å; R147-E192 HydrophobicContact CG-CG 3.7Å; R147-E192 IonicContact CZ-OE2 3.16Å; R147-E192 IonicContact NE-OE2 2.75Å; R147-E192 PolarHBondContact NE-OE2 3.23Å; R147-E192 IonicContact NH2-OE2 2.72Å; R147-E192 PolarHBondContact NH2-OE2 3.2Å; R147-L199 VanDerWaalsContact C-CD1 3.42Å; R147-L199 WeakPolarHBondContact O-CD1 3.47Å; R147-V221 PolarHBondContact O-N 3.46Å; R147-Y223 HydrophobicContact CB-CD2 3.74Å; R147-Y223 HydrophobicContact CB-CE2 3.85Å; R147-Y223 VanDerWaalsContact CD-CE2 3.49Å; R147-Y223 HydrophobicContact CG-CD2 4.05Å; R147-Y223 HydrophobicContact CG-CE2 4.31Å |
| 148 | I | 95.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.8 | 175.2 | -62.4 | -170.1 | 0 | 0 | 0 | 109.2 | V150 Y190 L191 Y193 L199 A202 V218 A219 | I148-V150 HydrophobicContact CG2-CG2 3.85Å; I148-Y190 VanDerWaalsContact O-CA 3.31Å; I148-Y190 WeakPolarHBondContact O-CA 3.14Å; I148-L191 PolarHBondContact N-O 2.85Å; I148-L191 PolarHBondContact O-N 3.34Å; I148-Y193 HydrophobicContact CD1-CD2 4.18Å; I148-Y193 HydrophobicContact CD1-CE2 3.62Å; I148-Y193 HydrophobicContact CG1-CD2 4.4Å; I148-Y193 HydrophobicContact CG1-CE2 4.22Å; I148-L199 HydrophobicContact CD1-CB 4.28Å; I148-L199 HydrophobicContact CD1-CD1 4.32Å; I148-L199 HydrophobicContact CD1-CG 3.7Å; I148-L199 WeakPolarHBondContact CD1-O 3.43Å; I148-L199 HydrophobicContact CG1-CB 4.3Å; I148-L199 HydrophobicContact CG1-CD1 3.48Å; I148-L199 VanDerWaalsContact CG1-CD1 3.48Å; I148-L199 HydrophobicContact CG1-CD2 4.38Å; I148-L199 HydrophobicContact CG1-CG 3.4Å; I148-A202 HydrophobicContact CD1-CB 3.85Å; I148-V218 HydrophobicContact CD1-CG1 4.18Å; I148-V218 HydrophobicContact CG2-CB 4.49Å; I148-V218 HydrophobicContact CG2-CG1 3.28Å; I148-A219 CarbonylContact C-O 3.58Å; I148-A219 WeakPolarHBondContact CA-O 3.11Å |
| 149 | H | 96.6 | Very high | 86.5 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.5 | 160.8 | 172.8 | -123.4 | 0 | 0 | 0 | 109.4 | Y190 V218 A219 V221 | H149-Y190 HydrophobicContact CB-CD1 4.07Å; H149-Y190 HydrophobicContact CB-CE1 3.9Å; H149-Y190 AromaticContact CD2-CE1 3.57Å; H149-V218 WeakPolarHBondContact O-CA 3.29Å; H149-A219 PolarHBondContact N-O 3.31Å; H149-A219 PolarHBondContact O-N 3.14Å; H149-V221 HydrophobicContact CB-CG2 3.41Å; H149-V221 VanDerWaalsContact CB-CG2 3.41Å |
| 150 | V | 96.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110 | 176.1 | -174.7 | 0 | 0 | 0 | 0 | 107 | I148 L153 F166 F188 A189 L191 V216 T217 | I148-V150 HydrophobicContact CG2-CG2 3.85Å; V150-L153 HydrophobicContact CG1-CD1 4.16Å; V150-L153 HydrophobicContact CG1-CD2 3.75Å; V150-L153 HydrophobicContact CG1-CG 4.07Å; V150-F166 HydrophobicContact CB-CZ 4.48Å; V150-F166 HydrophobicContact CG1-CE2 4.17Å; V150-F166 HydrophobicContact CG1-CZ 3.84Å; V150-F166 HydrophobicContact CG2-CE1 4.16Å; V150-F166 HydrophobicContact CG2-CE2 4.24Å; V150-F166 HydrophobicContact CG2-CZ 3.73Å; V150-F188 CarbonylContact O-C 3.44Å; V150-F188 WeakPolarHBondContact O-CA 3.39Å; V150-F188 WeakPolarHBondContact O-CB 3.29Å; V150-A189 HydrophobicContact CB-CB 4.46Å; V150-A189 PolarHBondContact N-O 3.02Å; V150-A189 PolarHBondContact O-N 3.11Å; V150-L191 HydrophobicContact CG2-CD1 3.73Å; V150-L191 HydrophobicContact CG2-CG 4.09Å; V150-V216 HydrophobicContact CG1-CG1 3.24Å; V150-T217 CarbonylContact C-O 3.53Å; V150-T217 WeakPolarHBondContact CA-O 3.38Å |
| 151 | G | 96.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 165.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V216 T217 | G151-V216 VanDerWaalsContact O-CG1 3.24Å; G151-V216 WeakPolarHBondContact O-CG1 3.3Å; G151-T217 WeakPolarHBondContact CA-OG1 3.48Å; G151-T217 PolarHBondContact N-O 2.86Å; G151-T217 PolarHBondContact O-N 3.33Å; G151-T217 PolarHBondContact O-OG1 3.2Å |
| 152 | H | 96.2 | Very high | 91.7 | Very high | 105 Ų | 105 | 64 Ų | 64 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 64.1 | 38.8 | -177.2 | -51.1 | 166.1 | 0 | 0 | 0 | 113.3 | G187 Q214 R215 T217 | H152-G187 PolarHBondContact N-O 3.33Å; H152-Q214 VanDerWaalsContact O-CD 3.31Å; H152-Q214 WeakPolarHBondContact O-CG 3.5Å; H152-Q214 PolarHBondContact O-NE2 3.42Å; H152-R215 WeakPolarHBondContact CB-O 3.42Å; H152-T217 WeakPolarHBondContact ND1-CG2 3.46Å |
| 153 | L | 95.9 | Very high | 93 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -77.8 | 143.9 | 169 | -62.7 | 174.7 | 0 | 0 | 0 | 110 | V150 V157 L162 L177 G187 A189 V216 | V150-L153 HydrophobicContact CG1-CD1 4.16Å; V150-L153 HydrophobicContact CG1-CD2 3.75Å; V150-L153 HydrophobicContact CG1-CG 4.07Å; L153-V157 HydrophobicContact CB-CB 4.44Å; L153-V157 HydrophobicContact CD1-CG1 4.33Å; L153-V157 HydrophobicContact CD2-CG1 4.34Å; L153-L162 HydrophobicContact CD1-CD1 4.25Å; L153-L162 HydrophobicContact CD1-CD2 3.96Å; L153-L162 HydrophobicContact CD2-CD2 4.16Å; L153-L177 HydrophobicContact CD1-CD1 4.37Å; L153-G187 PolarHBondContact N-O 2.91Å; L153-G187 WeakPolarHBondContact O-CA 3.49Å; L153-A189 HydrophobicContact CD1-CB 3.75Å; L153-V216 HydrophobicContact CD2-CG1 4.02Å; L153-V216 HydrophobicContact CD2-CG2 4Å | ||
| 154 | T | 94.7 | Very high | 94 | Very high | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | trans | -68.2 | 163.8 | 170.4 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | N156 V157 N185 D212 Q214 | T154-N156 PolarHBondContact O-N 2.95Å; T154-V157 PolarHBondContact O-N 3.49Å; T154-V157 WeakPolarHBondContact OG1-CG2 3.46Å; T154-N185 PolarHBondContact O-ND2 3.48Å; T154-N185 PolarHBondContact O-OD1 3.24Å; T154-D212 VanDerWaalsContact CB-OD2 3.29Å; T154-D212 WeakPolarHBondContact CB-OD2 3.46Å; T154-D212 HydrophobicContact CG2-CB 3.92Å; T154-D212 WeakPolarHBondContact CG2-O 3.4Å; T154-D212 WeakPolarHBondContact CG2-OD2 3.35Å; T154-D212 PolarHBondContact OG1-OD2 2.85Å; T154-Q214 HydrophobicContact CG2-CB 3.59Å | ||
| 155 | R | 93 | Very high | 94.7 | Very high | 191 Ų | 191 | 61.6 Ų | 61.6 | 72% | 0.721 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15 | 178.9 | -69.4 | 178.5 | -176.5 | -172.9 | 3.8 | 114.1 | I184 N185 | R155-I184 HydrophobicContact CB-CG2 3.7Å; R155-I184 HydrophobicContact CG-CG2 3.73Å; R155-N185 VanDerWaalsContact CA-OD1 3.3Å; R155-N185 WeakPolarHBondContact CA-OD1 2.94Å |
| 156 | N | 92.6 | Very high | 95.2 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -10.2 | -176 | -61.8 | 61.7 | 0 | 0 | 0 | 112.7 | T154 N158 D212 | T154-N156 PolarHBondContact O-N 2.95Å; N156-N158 PolarHBondContact O-N 3.3Å; N156-D212 WeakPolarHBondContact CB-OD2 3.41Å |
| 157 | V | 94.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | trans | -76.6 | 117.8 | -179.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L153 T154 H161 L162 L177 N185 V211 D212 | L153-V157 HydrophobicContact CB-CB 4.44Å; L153-V157 HydrophobicContact CD1-CG1 4.33Å; L153-V157 HydrophobicContact CD2-CG1 4.34Å; T154-V157 PolarHBondContact O-N 3.49Å; T154-V157 WeakPolarHBondContact OG1-CG2 3.46Å; V157-H161 HydrophobicContact CG1-CB 4.36Å; V157-L162 HydrophobicContact CG1-CD1 4.37Å; V157-L162 HydrophobicContact CG1-CD2 3.74Å; V157-L162 HydrophobicContact CG1-CG 3.75Å; V157-L177 WeakPolarHBondContact O-CD2 2.92Å; V157-N185 PolarHBondContact O-ND2 3.07Å; V157-V211 HydrophobicContact CG2-CG1 4.01Å; V157-D212 HydrophobicContact CG2-CB 4.2Å | ||
| 158 | N | 94.3 | Very high | 95.5 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | trans | -98.4 | 174.2 | 175.9 | -68.8 | -18.6 | 0 | 0 | 0 | 111.9 | N156 D160 H161 L162 | N156-N158 PolarHBondContact O-N 3.3Å; N158-D160 PolarHBondContact O-N 2.92Å; N158-H161 PolarHBondContact O-N 3.19Å; N158-L162 PolarHBondContact O-N 3.16Å | ||
| 159 | K | 94.8 | Very high | 95.5 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 176.1 | -168.9 | -175.5 | 177.5 | -166.2 | 0 | 111.7 | L162 V163 V175 | K159-L162 WeakPolarHBondContact O-CB 3.45Å; K159-L162 PolarHBondContact O-N 3.48Å; K159-V163 WeakPolarHBondContact O-CG2 3.4Å; K159-V163 PolarHBondContact O-N 3.33Å; K159-V175 HydrophobicContact CG-CB 4.1Å; K159-V175 HydrophobicContact CG-CG1 3.62Å |
| 160 | D | 95.7 | Very high | 95.4 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.9 | -42.3 | -176 | -53.4 | -39.4 | 0 | 0 | 0 | 111.8 | N158 L162 V163 E164 | N158-D160 PolarHBondContact O-N 2.92Å; D160-L162 VanDerWaalsContact C-N 3.28Å; D160-L162 PolarHBondContact O-N 2.79Å; D160-V163 PolarHBondContact O-N 2.72Å; D160-V163 VanDerWaalsContact O-N 3.11Å; D160-E164 PolarHBondContact O-N 2.72Å |
| 161 | H | 95.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 39% | 0.389 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 174.5 | -58.5 | 170.3 | 0 | 0 | 0 | 111.6 | V157 N158 V163 E164 I165 | V157-H161 HydrophobicContact CG1-CB 4.36Å; N158-H161 PolarHBondContact O-N 3.19Å; H161-V163 VanDerWaalsContact C-N 3.35Å; H161-E164 PolarHBondContact O-N 2.75Å; H161-I165 WeakPolarHBondContact O-CB 3.47Å; H161-I165 WeakPolarHBondContact O-CD1 3.39Å; H161-I165 WeakPolarHBondContact O-CG1 3.47Å; H161-I165 PolarHBondContact O-N 3.33Å |
| 162 | L | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.3 | -39 | 176.7 | -66.9 | 175 | 0 | 0 | 0 | 111.8 | L153 V157 N158 K159 D160 F166 V175 L177 A189 L191 | L153-L162 HydrophobicContact CD1-CD1 4.25Å; L153-L162 HydrophobicContact CD1-CD2 3.96Å; L153-L162 HydrophobicContact CD2-CD2 4.16Å; V157-L162 HydrophobicContact CG1-CD1 4.37Å; V157-L162 HydrophobicContact CG1-CD2 3.74Å; V157-L162 HydrophobicContact CG1-CG 3.75Å; N158-L162 PolarHBondContact O-N 3.16Å; K159-L162 WeakPolarHBondContact O-CB 3.45Å; K159-L162 PolarHBondContact O-N 3.48Å; D160-L162 VanDerWaalsContact C-N 3.28Å; D160-L162 PolarHBondContact O-N 2.79Å; L162-F166 HydrophobicContact CD2-CD2 4.17Å; L162-F166 HydrophobicContact CD2-CE2 3.87Å; L162-F166 VanDerWaalsContact O-CB 3.29Å; L162-F166 WeakPolarHBondContact O-CB 3.47Å; L162-F166 WeakPolarHBondContact O-CD2 3.31Å; L162-F166 PolarHBondContact O-N 3.28Å; L162-V175 HydrophobicContact CB-CG1 4.4Å; L162-V175 HydrophobicContact CD1-CG1 4.35Å; L162-L177 HydrophobicContact CD1-CD1 4.02Å; L162-L177 HydrophobicContact CD1-CD2 4.48Å; L162-A189 HydrophobicContact CD1-CB 3.5Å; L162-A189 VanDerWaalsContact CD1-CB 3.5Å; L162-L191 HydrophobicContact CB-CD2 4.38Å |
| 163 | V | 96.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 69 Ų | 69 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | K159 D160 H161 I165 S167 L172 V175 | K159-V163 WeakPolarHBondContact O-CG2 3.4Å; K159-V163 PolarHBondContact O-N 3.33Å; D160-V163 PolarHBondContact O-N 2.72Å; D160-V163 VanDerWaalsContact O-N 3.11Å; H161-V163 VanDerWaalsContact C-N 3.35Å; V163-I165 PolarHBondContact O-N 2.92Å; V163-S167 WeakPolarHBondContact O-CA 3.2Å; V163-S167 WeakPolarHBondContact O-CB 3.45Å; V163-S167 PolarHBondContact O-N 2.72Å; V163-L172 HydrophobicContact CG2-CD1 4.47Å; V163-V175 HydrophobicContact CG2-CG2 3.87Å |
| 164 | E | 96 | Very high | 95.2 | Very high | 147 Ų | 147 | 72 Ų | 72 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.2 | -49.5 | -178.5 | -172.7 | 173.7 | -175.1 | 0 | 0 | 112.5 | D160 H161 | D160-E164 PolarHBondContact O-N 2.72Å; H161-E164 PolarHBondContact O-N 2.75Å |
| 165 | I | 95.4 | Very high | 95.2 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.1 | -46.7 | -176.9 | -64.1 | 165.6 | 0 | 0 | 0 | 111.5 | H161 V163 M206 V211 | H161-I165 WeakPolarHBondContact O-CB 3.47Å; H161-I165 WeakPolarHBondContact O-CD1 3.39Å; H161-I165 WeakPolarHBondContact O-CG1 3.47Å; H161-I165 PolarHBondContact O-N 3.33Å; V163-I165 PolarHBondContact O-N 2.92Å; I165-M206 HydrophobicContact CG2-CE 3.42Å; I165-M206 VanDerWaalsContact CG2-CE 3.42Å; I165-M206 HydrophobicContact CG2-SD 4.2Å; I165-V211 HydrophobicContact CD1-CG1 3.69Å; I165-V211 HydrophobicContact CD1-CG2 4.4Å |
| 166 | F | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -86.6 | -18.8 | -172.6 | -74.2 | -86.4 | 0 | 0 | 0 | 113.4 | V150 L162 V168 Y169 L172 L191 Y193 A202 M206 | V150-F166 HydrophobicContact CB-CZ 4.48Å; V150-F166 HydrophobicContact CG1-CE2 4.17Å; V150-F166 HydrophobicContact CG1-CZ 3.84Å; V150-F166 HydrophobicContact CG2-CE1 4.16Å; V150-F166 HydrophobicContact CG2-CE2 4.24Å; V150-F166 HydrophobicContact CG2-CZ 3.73Å; L162-F166 HydrophobicContact CD2-CD2 4.17Å; L162-F166 HydrophobicContact CD2-CE2 3.87Å; L162-F166 VanDerWaalsContact O-CB 3.29Å; L162-F166 WeakPolarHBondContact O-CB 3.47Å; L162-F166 WeakPolarHBondContact O-CD2 3.31Å; L162-F166 PolarHBondContact O-N 3.28Å; F166-V168 PolarHBondContact O-N 3.24Å; F166-Y169 PolarHBondContact O-N 3.45Å; F166-L172 HydrophobicContact CB-CD1 4.09Å; F166-L172 HydrophobicContact CB-CD2 4.47Å; F166-L191 HydrophobicContact CB-CD1 3.77Å; F166-L191 HydrophobicContact CD1-CD1 3.69Å; F166-L191 HydrophobicContact CD2-CD1 3.45Å; F166-L191 VanDerWaalsContact CD2-CD1 3.45Å; F166-L191 HydrophobicContact CE1-CD1 4.08Å; F166-L191 HydrophobicContact CE2-CD1 3.87Å; F166-L191 HydrophobicContact CG-CD1 3.34Å; F166-L191 HydrophobicContact CZ-CD1 4.16Å; F166-Y193 WeakPolarHBondContact CB-OH 3.46Å; F166-Y193 PolarHBondContact O-OH 3.24Å; F166-Y193 VanDerWaalsContact O-OH 3.1Å; F166-A202 HydrophobicContact CD1-CB 4.42Å; F166-M206 HydrophobicContact CD1-CG 4.17Å; F166-M206 HydrophobicContact CE1-CB 3.81Å; F166-M206 HydrophobicContact CE1-CE 4.27Å; F166-M206 HydrophobicContact CE1-CG 3.72Å; F166-M206 HydrophobicContact CE2-CE 4.36Å; F166-M206 HydrophobicContact CZ-CB 4.3Å; F166-M206 HydrophobicContact CZ-CE 3.97Å; F166-M206 HydrophobicContact CZ-CG 4.34Å |
| 167 | S | 95.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.1 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 113.2 | V163 Y169 G170 | V163-S167 WeakPolarHBondContact O-CA 3.2Å; V163-S167 WeakPolarHBondContact O-CB 3.45Å; V163-S167 PolarHBondContact O-N 2.72Å; S167-Y169 PolarHBondContact O-N 3.14Å; S167-G170 WeakPolarHBondContact CA-O 3.37Å; S167-G170 PolarHBondContact O-N 2.99Å |
| 168 | V | 95.9 | Very high | 95.5 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 70% | 0.703 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.6 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | F166 | F166-V168 PolarHBondContact O-N 3.24Š|
| 169 | Y | 95.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -19.8 | -178.1 | -56.9 | -72.3 | 0 | 0 | 0 | 113.5 | F166 S167 K201 A202 F205 M206 | F166-Y169 PolarHBondContact O-N 3.45Å; S167-Y169 PolarHBondContact O-N 3.14Å; Y169-K201 HydrophobicContact CD1-CB 4.46Å; Y169-A202 HydrophobicContact CD2-CB 3.84Å; Y169-A202 HydrophobicContact CG-CB 3.85Å; Y169-F205 HydrophobicContact CD1-CD2 4.14Å; Y169-F205 HydrophobicContact CE1-CB 3.56Å; Y169-F205 AromaticContact CE1-CD2 3.75Å; Y169-F205 HydrophobicContact CE1-CD2 3.75Å; Y169-F205 AromaticContact CE1-CG 3.94Å; Y169-F205 HydrophobicContact CE1-CG 3.94Å; Y169-M206 HydrophobicContact CD2-CG 4.22Å; Y169-M206 HydrophobicContact CE2-CG 3.31Å; Y169-M206 HydrophobicContact CE2-SD 3.75Å; Y169-M206 PolarHBondContact OH-SD 3.19Å |
| 170 | G | 95.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 161.2 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S167 L172 | S167-G170 WeakPolarHBondContact CA-O 3.37Å; S167-G170 PolarHBondContact O-N 2.99Å; G170-L172 PolarHBondContact O-N 2.83Å |
| 171 | P | 96 | Very high | 95 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | trans | -67.6 | 130.1 | -179.1 | 27.2 | -33.5 | 0 | 0 | 0 | 111.7 | E194 | P171-E194 HydrophobicContact CB-CG 4.26Å; P171-E194 HydrophobicContact CG-CB 4.22Å; P171-E194 HydrophobicContact CG-CG 4Å; P171-E194 WeakPolarHBondContact CG-OE2 3.35Å; P171-E194 PolarHBondContact O-N 3.46Å | ||
| 172 | L | 96 | Very high | 94.7 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122 | 175.8 | -63.8 | 173.9 | 0 | 0 | 0 | 110.2 | V163 F166 G170 V175 L191 E192 Y193 | V163-L172 HydrophobicContact CG2-CD1 4.47Å; F166-L172 HydrophobicContact CB-CD1 4.09Å; F166-L172 HydrophobicContact CB-CD2 4.47Å; G170-L172 PolarHBondContact O-N 2.83Å; L172-V175 HydrophobicContact CB-CG2 4.23Å; L172-V175 HydrophobicContact CD1-CG2 3.84Å; L172-L191 HydrophobicContact CD2-CB 4.18Å; L172-E192 CarbonylContact C-O 3.47Å; L172-E192 WeakPolarHBondContact CA-O 3.25Å; L172-Y193 HydrophobicContact CD2-CD1 3.79Å; L172-Y193 HydrophobicContact CD2-CD2 4.14Å; L172-Y193 HydrophobicContact CD2-CE1 3.48Å; L172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; L172-Y193 HydrophobicContact CD2-CE2 3.83Å; L172-Y193 HydrophobicContact CD2-CG 4.12Å; L172-Y193 HydrophobicContact CG-CE1 4.36Å |
| 173 | K | 94.6 | Very high | 94.3 | Very high | 123 Ų | 123 | 66.2 Ų | 66.2 | 54% | 0.535 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -39.1 | 175.5 | -176.8 | 177.9 | 173.1 | -168.1 | 0 | 112.6 | E192 E194 | K173-E192 HydrophobicContact CB-CB 4.39Å; K173-E192 HydrophobicContact CB-CG 4.22Å; K173-E192 HydrophobicContact CD-CG 4.29Å; K173-E192 PolarHBondContact N-O 3.05Å; K173-E192 IonicContact NZ-OE1 2.99Å; K173-E192 PolarHBondContact NZ-OE1 3.48Å; K173-E194 HydrophobicContact CB-CG 4.4Å |
| 174 | T | 94.2 | Very high | 94 | Very high | 71 Ų | 71 | 66.5 Ų | 66.5 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 133.9 | -178.8 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | E192 | T174-E192 PolarHBondContact N-O 3.46Å; T174-E192 PolarHBondContact O-N 3.04Å |
| 175 | V | 96 | Very high | 93.9 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.1 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | K159 L162 V163 L172 L191 | K159-V175 HydrophobicContact CG-CB 4.1Å; K159-V175 HydrophobicContact CG-CG1 3.62Å; L162-V175 HydrophobicContact CB-CG1 4.4Å; L162-V175 HydrophobicContact CD1-CG1 4.35Å; V163-V175 HydrophobicContact CG2-CG2 3.87Å; L172-V175 HydrophobicContact CB-CG2 4.23Å; L172-V175 HydrophobicContact CD1-CG2 3.84Å; V175-L191 HydrophobicContact CB-CD2 4.04Å; V175-L191 HydrophobicContact CG1-CD2 3.58Å; V175-L191 HydrophobicContact CG2-CD2 3.74Å |
| 176 | H | 95.4 | Very high | 93.8 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.6 | 178.8 | -176 | -104.7 | 0 | 0 | 0 | 109.8 | P178 A189 Y190 | H176-P178 WeakPolarHBondContact O-CD 3.27Å; H176-A189 WeakPolarHBondContact O-CA 3.42Å; H176-Y190 PolarHBondContact N-O 3.22Å; H176-Y190 AromaticContact ND1-CD2 3.93Å; H176-Y190 PolarHBondContact O-N 3.32Å |
| 177 | L | 95.3 | Very high | 93.8 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | trans | -116.6 | 95.1 | 178.7 | -178.1 | 67 | 0 | 0 | 0 | 108.5 | L153 V157 L162 L179 N185 A189 | L153-L177 HydrophobicContact CD1-CD1 4.37Å; V157-L177 WeakPolarHBondContact O-CD2 2.92Å; L162-L177 HydrophobicContact CD1-CD1 4.02Å; L162-L177 HydrophobicContact CD1-CD2 4.48Å; L177-L179 HydrophobicContact CD2-CD2 4.28Å; L177-L179 HydrophobicContact CG-CD2 4.21Å; L177-L179 PolarHBondContact O-N 2.94Å; L177-N185 HydrophobicContact CD1-CB 3.94Å; L177-N185 HydrophobicContact CD2-CB 4.18Å; L177-N185 HydrophobicContact CG-CB 4.06Å; L177-A189 HydrophobicContact CD1-CB 3.74Å | ||
| 178 | P | 94.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 13% | 0.13 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 124.3 | 176.6 | -24.1 | 34.4 | 0 | 0 | 0 | 111.3 | H176 R186 F188 | H176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-R186 HydrophobicContact CB-CG 4.4Å; P178-R186 WeakPolarHBondContact O-CG 3.44Å; P178-R186 PolarHBondContact O-N 3.4Å; P178-F188 HydrophobicContact CB-CE2 4.4Å; P178-F188 HydrophobicContact CB-CZ 4.35Å; P178-F188 HydrophobicContact CG-CD2 4.41Å; P178-F188 HydrophobicContact CG-CE2 3.72Å; P178-F188 HydrophobicContact CG-CZ 4.13Å |
| 179 | L | 94.4 | Very high | 93.8 | Very high | 88 Ų | 88 | 59.6 Ų | 59.6 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 153.9 | 173 | -53.4 | -179.5 | 0 | 0 | 0 | 110.5 | L177 I184 N185 R186 | L177-L179 HydrophobicContact CD2-CD2 4.28Å; L177-L179 HydrophobicContact CG-CD2 4.21Å; L177-L179 PolarHBondContact O-N 2.94Å; L179-I184 CarbonylContact C-O 3.56Å; L179-N185 HydrophobicContact CD2-CB 3.91Å; L179-R186 PolarHBondContact O-NE 3.01Å |
| 180 | T | 91.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 164.5 | 167.5 | -60 | 0 | 0 | 0 | 0 | 108.8 | L182 G183 I184 | T180-L182 PolarHBondContact O-N 2.86Å; T180-G183 PolarHBondContact O-N 2.95Å; T180-I184 VanDerWaalsContact CB-O 3.29Å; T180-I184 WeakPolarHBondContact CB-O 3.39Å; T180-I184 PolarHBondContact N-O 2.84Å; T180-I184 PolarHBondContact OG1-O 2.8Å |
| 181 | G | 90.2 | Very high | 93.9 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 89% | 0.887 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | G183 | G181-G183 VanDerWaalsContact C-N 3.3Š|
| 182 | L | 88.8 | Confident | 93.9 | Very high | 145 Ų | 145 | 57.2 Ų | 57.2 | 76% | 0.759 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.7 | 174.8 | -56.7 | 177.5 | 0 | 0 | 0 | 113.7 | T180 I184 | T180-L182 PolarHBondContact O-N 2.86Å; L182-I184 HydrophobicContact CB-CD1 4.23Å; L182-I184 HydrophobicContact CB-CG1 4.32Å; L182-I184 PolarHBondContact O-N 2.78Å |
| 183 | G | 87.8 | Confident | 93.9 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 78.7 | -2.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T180 G181 | T180-G183 PolarHBondContact O-N 2.95Å; G181-G183 VanDerWaalsContact C-N 3.3Å |
| 184 | I | 90.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | trans | -84.4 | 137.7 | -180 | -52.9 | 169.7 | 0 | 0 | 0 | 109.9 | R155 L179 T180 L182 | R155-I184 HydrophobicContact CB-CG2 3.7Å; R155-I184 HydrophobicContact CG-CG2 3.73Å; L179-I184 CarbonylContact C-O 3.56Å; T180-I184 VanDerWaalsContact CB-O 3.29Å; T180-I184 WeakPolarHBondContact CB-O 3.39Å; T180-I184 PolarHBondContact N-O 2.84Å; T180-I184 PolarHBondContact OG1-O 2.8Å; L182-I184 HydrophobicContact CB-CD1 4.23Å; L182-I184 HydrophobicContact CB-CG1 4.32Å; L182-I184 PolarHBondContact O-N 2.78Å | ||
| 185 | N | 92.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 156.6 | 176.7 | 73.2 | 15.7 | 0 | 0 | 0 | 112.5 | T154 R155 V157 L177 L179 G187 | T154-N185 PolarHBondContact O-ND2 3.48Å; T154-N185 PolarHBondContact O-OD1 3.24Å; R155-N185 VanDerWaalsContact CA-OD1 3.3Å; R155-N185 WeakPolarHBondContact CA-OD1 2.94Å; V157-N185 PolarHBondContact O-ND2 3.07Å; L177-N185 HydrophobicContact CD1-CB 3.94Å; L177-N185 HydrophobicContact CD2-CB 4.18Å; L177-N185 HydrophobicContact CG-CB 4.06Å; L179-N185 HydrophobicContact CD2-CB 3.91Å; N185-G187 PolarHBondContact O-N 3.13Å; N185-G187 PolarHBondContact OD1-N 3.32Å |
| 186 | R | 93.9 | Very high | 93.7 | Very high | 149 Ų | 149 | 58.5 Ų | 58.5 | 56% | 0.562 | 32% | 0.318 | S | S | * | . | trans | -84.9 | 10.7 | 179.5 | -65.3 | -175.2 | -175.3 | -171.1 | -3.1 | 113.9 | P178 L179 F188 | P178-R186 HydrophobicContact CB-CG 4.4Å; P178-R186 WeakPolarHBondContact O-CG 3.44Å; P178-R186 PolarHBondContact O-N 3.4Å; L179-R186 PolarHBondContact O-NE 3.01Å; R186-F188 VanDerWaalsContact C-N 3.27Å; R186-F188 HydrophobicContact CB-CD1 3.78Å; R186-F188 HydrophobicContact CB-CE1 3.42Å; R186-F188 VanDerWaalsContact CB-CE1 3.42Å; R186-F188 HydrophobicContact CB-CZ 4.17Å; R186-F188 HydrophobicContact CG-CE1 4.37Å; R186-F188 WeakPolarHBondContact O-CD1 3.45Å; R186-F188 PolarHBondContact O-N 3.46Å | ||
| 187 | G | 94.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 57.9 Ų | 57.9 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 74.2 | 11.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | H152 L153 N185 | H152-G187 PolarHBondContact N-O 3.33Å; L153-G187 PolarHBondContact N-O 2.91Å; L153-G187 WeakPolarHBondContact O-CA 3.49Å; N185-G187 PolarHBondContact O-N 3.13Å; N185-G187 PolarHBondContact OD1-N 3.32Å |
| 188 | F | 96.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.6 | 172.9 | 67.9 | -89 | 0 | 0 | 0 | 112.3 | V150 P178 R186 Y190 | V150-F188 CarbonylContact O-C 3.44Å; V150-F188 WeakPolarHBondContact O-CA 3.39Å; V150-F188 WeakPolarHBondContact O-CB 3.29Å; P178-F188 HydrophobicContact CB-CE2 4.4Å; P178-F188 HydrophobicContact CB-CZ 4.35Å; P178-F188 HydrophobicContact CG-CD2 4.41Å; P178-F188 HydrophobicContact CG-CE2 3.72Å; P178-F188 HydrophobicContact CG-CZ 4.13Å; R186-F188 VanDerWaalsContact C-N 3.27Å; R186-F188 HydrophobicContact CB-CD1 3.78Å; R186-F188 HydrophobicContact CB-CE1 3.42Å; R186-F188 VanDerWaalsContact CB-CE1 3.42Å; R186-F188 HydrophobicContact CB-CZ 4.17Å; R186-F188 HydrophobicContact CG-CE1 4.37Å; R186-F188 WeakPolarHBondContact O-CD1 3.45Å; R186-F188 PolarHBondContact O-N 3.46Å; F188-Y190 AromaticContact CD2-CE2 3.95Å; F188-Y190 HydrophobicContact CD2-CE2 3.95Å; F188-Y190 AromaticContact CE2-CE2 3.72Å; F188-Y190 HydrophobicContact CE2-CE2 3.72Å |
| 189 | A | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V150 L153 L162 H176 L177 | V150-A189 HydrophobicContact CB-CB 4.46Å; V150-A189 PolarHBondContact N-O 3.02Å; V150-A189 PolarHBondContact O-N 3.11Å; L153-A189 HydrophobicContact CD1-CB 3.75Å; L162-A189 HydrophobicContact CD1-CB 3.5Å; L162-A189 VanDerWaalsContact CD1-CB 3.5Å; H176-A189 WeakPolarHBondContact O-CA 3.42Å; L177-A189 HydrophobicContact CD1-CB 3.74Å |
| 190 | Y | 96.4 | Very high | 93.7 | Very high | 66 Ų | 66 | 56 Ų | 56 | 26% | 0.259 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.6 | 169.8 | -59.5 | -76.1 | 0 | 0 | 0 | 110.5 | I148 H149 H176 F188 V221 Y223 | I148-Y190 VanDerWaalsContact O-CA 3.31Å; I148-Y190 WeakPolarHBondContact O-CA 3.14Å; H149-Y190 HydrophobicContact CB-CD1 4.07Å; H149-Y190 HydrophobicContact CB-CE1 3.9Å; H149-Y190 AromaticContact CD2-CE1 3.57Å; H176-Y190 PolarHBondContact N-O 3.22Å; H176-Y190 AromaticContact ND1-CD2 3.93Å; H176-Y190 PolarHBondContact O-N 3.32Å; F188-Y190 AromaticContact CD2-CE2 3.95Å; F188-Y190 HydrophobicContact CD2-CE2 3.95Å; F188-Y190 AromaticContact CE2-CE2 3.72Å; F188-Y190 HydrophobicContact CE2-CE2 3.72Å; Y190-V221 HydrophobicContact CE1-CG2 4.42Å; Y190-Y223 VanDerWaalsContact CD1-OH 3.27Å; Y190-Y223 WeakPolarHBondContact CD1-OH 3.42Å; Y190-Y223 VanDerWaalsContact CE1-OH 3.25Å; Y190-Y223 WeakPolarHBondContact CE1-OH 3.46Å |
| 191 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.5 | -179.7 | -56.2 | -179.7 | 0 | 0 | 0 | 109.2 | R147 I148 V150 L162 F166 L172 V175 | R147-L191 CarbonylContact C-O 3.5Å; R147-L191 WeakPolarHBondContact CA-O 3.4Å; I148-L191 PolarHBondContact N-O 2.85Å; I148-L191 PolarHBondContact O-N 3.34Å; V150-L191 HydrophobicContact CG2-CD1 3.73Å; V150-L191 HydrophobicContact CG2-CG 4.09Å; L162-L191 HydrophobicContact CB-CD2 4.38Å; F166-L191 HydrophobicContact CB-CD1 3.77Å; F166-L191 HydrophobicContact CD1-CD1 3.69Å; F166-L191 HydrophobicContact CD2-CD1 3.45Å; F166-L191 VanDerWaalsContact CD2-CD1 3.45Å; F166-L191 HydrophobicContact CE1-CD1 4.08Å; F166-L191 HydrophobicContact CE2-CD1 3.87Å; F166-L191 HydrophobicContact CG-CD1 3.34Å; F166-L191 HydrophobicContact CZ-CD1 4.16Å; L172-L191 HydrophobicContact CD2-CB 4.18Å; V175-L191 HydrophobicContact CB-CD2 4.04Å; V175-L191 HydrophobicContact CG1-CD2 3.58Å; V175-L191 HydrophobicContact CG2-CD2 3.74Å |
| 192 | E | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.3 | 170.9 | -170.6 | 170.6 | 167.2 | 0 | 0 | 109.2 | T146 R147 L172 K173 T174 | T146-E192 HydrophobicContact CG2-CG 4.24Å; T146-E192 WeakPolarHBondContact O-CA 3.4Å; R147-E192 HydrophobicContact CG-CB 3.68Å; R147-E192 HydrophobicContact CG-CG 3.7Å; R147-E192 IonicContact CZ-OE2 3.16Å; R147-E192 IonicContact NE-OE2 2.75Å; R147-E192 PolarHBondContact NE-OE2 3.23Å; R147-E192 IonicContact NH2-OE2 2.72Å; R147-E192 PolarHBondContact NH2-OE2 3.2Å; L172-E192 CarbonylContact C-O 3.47Å; L172-E192 WeakPolarHBondContact CA-O 3.25Å; K173-E192 HydrophobicContact CB-CB 4.39Å; K173-E192 HydrophobicContact CB-CG 4.22Å; K173-E192 HydrophobicContact CD-CG 4.29Å; K173-E192 PolarHBondContact N-O 3.05Å; K173-E192 IonicContact NZ-OE1 2.99Å; K173-E192 PolarHBondContact NZ-OE1 3.48Å; T174-E192 PolarHBondContact N-O 3.46Å; T174-E192 PolarHBondContact O-N 3.04Å |
| 193 | Y | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 170.8 | 171.1 | -77.8 | -85.9 | 0 | 0 | 0 | 111.2 | T146 I148 F166 L172 K195 D198 L199 A202 | T146-Y193 WeakPolarHBondContact CG2-O 3.41Å; T146-Y193 PolarHBondContact O-N 3.1Å; I148-Y193 HydrophobicContact CD1-CD2 4.18Å; I148-Y193 HydrophobicContact CD1-CE2 3.62Å; I148-Y193 HydrophobicContact CG1-CD2 4.4Å; I148-Y193 HydrophobicContact CG1-CE2 4.22Å; F166-Y193 WeakPolarHBondContact CB-OH 3.46Å; F166-Y193 PolarHBondContact O-OH 3.24Å; F166-Y193 VanDerWaalsContact O-OH 3.1Å; L172-Y193 HydrophobicContact CD2-CD1 3.79Å; L172-Y193 HydrophobicContact CD2-CD2 4.14Å; L172-Y193 HydrophobicContact CD2-CE1 3.48Å; L172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; L172-Y193 HydrophobicContact CD2-CE2 3.83Å; L172-Y193 HydrophobicContact CD2-CG 4.12Å; L172-Y193 HydrophobicContact CG-CE1 4.36Å; Y193-K195 WeakPolarHBondContact CB-O 3.48Å; Y193-D198 HydrophobicContact CD1-CB 3.81Å; Y193-D198 HydrophobicContact CE1-CB 4.36Å; Y193-D198 HydrophobicContact CG-CB 4.3Å; Y193-L199 HydrophobicContact CD2-CB 3.79Å; Y193-L199 HydrophobicContact CG-CB 4.27Å; Y193-A202 HydrophobicContact CE2-CB 3.92Å; Y193-A202 WeakPolarHBondContact OH-CB 3.49Å |
| 194 | E | 93.8 | Very high | 94.9 | Very high | 124 Ų | 124 | 55.2 Ų | 55.2 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -78.6 | -40.9 | 167.1 | -65.5 | -168.7 | 156 | 0 | 0 | 111.9 | P171 K173 | P171-E194 HydrophobicContact CB-CG 4.26Å; P171-E194 HydrophobicContact CG-CB 4.22Å; P171-E194 HydrophobicContact CG-CG 4Å; P171-E194 WeakPolarHBondContact CG-OE2 3.35Å; P171-E194 PolarHBondContact O-N 3.46Å; K173-E194 HydrophobicContact CB-CG 4.4Å |
| 195 | K | 93.5 | Very high | 95.1 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -112.2 | 149.6 | -177.2 | -58.2 | 177.3 | -176.7 | 174 | 0 | 111.2 | Y193 D197 D198 | Y193-K195 WeakPolarHBondContact CB-O 3.48Å; K195-D197 VanDerWaalsContact C-N 3.32Å; K195-D198 WeakPolarHBondContact CB-OD2 3.5Å |
| 196 | N | 93.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.3 | -32.3 | 173.3 | 170.9 | -108.5 | 0 | 0 | 0 | 111.9 | K144 P145 D198 L199 L200 | K144-N196 HydrophobicContact CB-CB 3.9Å; K144-N196 HydrophobicContact CD-CB 4.19Å; P145-N196 PolarHBondContact O-ND2 2.93Å; N196-D198 VanDerWaalsContact C-N 3.34Å; N196-D198 PolarHBondContact O-N 3.24Å; N196-L199 WeakPolarHBondContact O-CB 3.21Å; N196-L199 PolarHBondContact O-N 2.96Å; N196-L200 WeakPolarHBondContact O-CG 3.4Å; N196-L200 PolarHBondContact O-N 3.31Å |
| 197 | D | 95.1 | Very high | 95.4 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | -179 | -54 | -46 | 0 | 0 | 0 | 111.7 | K195 L199 L200 K201 | K195-D197 VanDerWaalsContact C-N 3.32Å; D197-L199 VanDerWaalsContact C-N 3.35Å; D197-L200 PolarHBondContact O-N 2.86Å; D197-K201 WeakPolarHBondContact O-CG 3.41Å; D197-K201 PolarHBondContact O-N 3.35Å |
| 198 | D | 95.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | 178.1 | -59.6 | -23.6 | 0 | 0 | 0 | 111.4 | Y193 K195 N196 L200 K201 A202 | Y193-D198 HydrophobicContact CD1-CB 3.81Å; Y193-D198 HydrophobicContact CE1-CB 4.36Å; Y193-D198 HydrophobicContact CG-CB 4.3Å; K195-D198 WeakPolarHBondContact CB-OD2 3.5Å; N196-D198 VanDerWaalsContact C-N 3.34Å; N196-D198 PolarHBondContact O-N 3.24Å; D198-L200 PolarHBondContact O-N 3.49Å; D198-K201 PolarHBondContact O-N 3.07Å; D198-K201 IonicContact OD1-NZ 3.57Å; D198-A202 WeakPolarHBondContact O-CB 3.39Å; D198-A202 PolarHBondContact O-N 3.5Å |
| 199 | L | 94.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 170.4 | 168.7 | 151.8 | 0 | 0 | 0 | 112 | P145 R147 I148 Y193 N196 D197 K201 A202 Q203 P220 | P145-L199 WeakPolarHBondContact O-CD1 3.45Å; R147-L199 VanDerWaalsContact C-CD1 3.42Å; R147-L199 WeakPolarHBondContact O-CD1 3.47Å; I148-L199 HydrophobicContact CD1-CB 4.28Å; I148-L199 HydrophobicContact CD1-CD1 4.32Å; I148-L199 HydrophobicContact CD1-CG 3.7Å; I148-L199 WeakPolarHBondContact CD1-O 3.43Å; I148-L199 HydrophobicContact CG1-CB 4.3Å; I148-L199 HydrophobicContact CG1-CD1 3.48Å; I148-L199 VanDerWaalsContact CG1-CD1 3.48Å; I148-L199 HydrophobicContact CG1-CD2 4.38Å; I148-L199 HydrophobicContact CG1-CG 3.4Å; Y193-L199 HydrophobicContact CD2-CB 3.79Å; Y193-L199 HydrophobicContact CG-CB 4.27Å; N196-L199 WeakPolarHBondContact O-CB 3.21Å; N196-L199 PolarHBondContact O-N 2.96Å; D197-L199 VanDerWaalsContact C-N 3.35Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-A202 PolarHBondContact O-N 3.04Å; L199-Q203 WeakPolarHBondContact O-CB 3.12Å; L199-Q203 PolarHBondContact O-N 3.26Å; L199-P220 HydrophobicContact CD2-CB 4.18Å |
| 200 | L | 95.2 | Very high | 95.4 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 41% | 0.414 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | -178.3 | -69.9 | 173.5 | 0 | 0 | 0 | 111.5 | N196 D197 D198 Q203 K204 | N196-L200 WeakPolarHBondContact O-CG 3.4Å; N196-L200 PolarHBondContact O-N 3.31Å; D197-L200 PolarHBondContact O-N 2.86Å; D198-L200 PolarHBondContact O-N 3.49Å; L200-Q203 PolarHBondContact O-N 2.91Å; L200-K204 WeakPolarHBondContact O-CB 3.18Å; L200-K204 PolarHBondContact O-N 2.71Å |
| 201 | K | 96.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 45% | 0.452 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -53.9 | 171.4 | -69.2 | 171.3 | -170.3 | 165.9 | 0 | 110.5 | Y169 D197 D198 L199 Q203 K204 F205 | Y169-K201 HydrophobicContact CD1-CB 4.46Å; D197-K201 WeakPolarHBondContact O-CG 3.41Å; D197-K201 PolarHBondContact O-N 3.35Å; D198-K201 PolarHBondContact O-N 3.07Å; D198-K201 IonicContact OD1-NZ 3.57Å; L199-K201 VanDerWaalsContact C-N 3.34Å; K201-Q203 VanDerWaalsContact C-N 3.28Å; K201-Q203 PolarHBondContact O-N 3.04Å; K201-K204 PolarHBondContact O-N 3.34Å; K201-F205 HydrophobicContact CB-CD2 4.45Å; K201-F205 WeakPolarHBondContact O-CD2 3.44Å; K201-F205 PolarHBondContact O-N 3.34Å |
| 202 | A | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I148 F166 Y169 Y193 D198 L199 K204 F205 M206 | I148-A202 HydrophobicContact CD1-CB 3.85Å; F166-A202 HydrophobicContact CD1-CB 4.42Å; Y169-A202 HydrophobicContact CD2-CB 3.84Å; Y169-A202 HydrophobicContact CG-CB 3.85Å; Y193-A202 HydrophobicContact CE2-CB 3.92Å; Y193-A202 WeakPolarHBondContact OH-CB 3.49Å; D198-A202 WeakPolarHBondContact O-CB 3.39Å; D198-A202 PolarHBondContact O-N 3.5Å; L199-A202 PolarHBondContact O-N 3.04Å; A202-K204 PolarHBondContact O-N 3.05Å; A202-F205 PolarHBondContact O-N 2.87Å; A202-M206 WeakPolarHBondContact O-CB 3.24Å; A202-M206 PolarHBondContact O-N 2.77Å |
| 203 | Q | 95.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 174.5 | -178 | -172.6 | -16.6 | 0 | 0 | 111.8 | L199 L200 K201 F205 H207 V218 | L199-Q203 WeakPolarHBondContact O-CB 3.12Å; L199-Q203 PolarHBondContact O-N 3.26Å; L200-Q203 PolarHBondContact O-N 2.91Å; K201-Q203 VanDerWaalsContact C-N 3.28Å; K201-Q203 PolarHBondContact O-N 3.04Å; Q203-F205 VanDerWaalsContact C-N 3.34Å; Q203-F205 PolarHBondContact O-N 2.81Å; Q203-H207 WeakPolarHBondContact O-CB 3.03Å; Q203-H207 PolarHBondContact O-N 3.02Å; Q203-H207 VanDerWaalsContact O-N 3.14Å; Q203-V218 HydrophobicContact CB-CG1 4.4Å |
| 204 | K | 96.1 | Very high | 95.2 | Very high | 168 Ų | 168 | 70.5 Ų | 70.5 | 73% | 0.73 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | -177 | -173.7 | -179.7 | 178.1 | -175.8 | 0 | 112.6 | L200 K201 A202 | L200-K204 WeakPolarHBondContact O-CB 3.18Å; L200-K204 PolarHBondContact O-N 2.71Å; K201-K204 PolarHBondContact O-N 3.34Å; A202-K204 PolarHBondContact O-N 3.05Å |
| 205 | F | 95.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 55% | 0.548 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -92 | -33.7 | -174.6 | -66.8 | -68.8 | 0 | 0 | 0 | 113.9 | Y169 K201 A202 Q203 | Y169-F205 HydrophobicContact CD1-CD2 4.14Å; Y169-F205 HydrophobicContact CE1-CB 3.56Å; Y169-F205 AromaticContact CE1-CD2 3.75Å; Y169-F205 HydrophobicContact CE1-CD2 3.75Å; Y169-F205 AromaticContact CE1-CG 3.94Å; Y169-F205 HydrophobicContact CE1-CG 3.94Å; K201-F205 HydrophobicContact CB-CD2 4.45Å; K201-F205 WeakPolarHBondContact O-CD2 3.44Å; K201-F205 PolarHBondContact O-N 3.34Å; A202-F205 PolarHBondContact O-N 2.87Å; Q203-F205 VanDerWaalsContact C-N 3.34Å; Q203-F205 PolarHBondContact O-N 2.81Å |
| 206 | M | 95.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -92.7 | -15.4 | -176.6 | -66 | -63.7 | -64.3 | 0 | 0 | 113.8 | I165 F166 Y169 A202 G208 A209 V211 V218 | I165-M206 HydrophobicContact CG2-CE 3.42Å; I165-M206 VanDerWaalsContact CG2-CE 3.42Å; I165-M206 HydrophobicContact CG2-SD 4.2Å; F166-M206 HydrophobicContact CD1-CG 4.17Å; F166-M206 HydrophobicContact CE1-CB 3.81Å; F166-M206 HydrophobicContact CE1-CE 4.27Å; F166-M206 HydrophobicContact CE1-CG 3.72Å; F166-M206 HydrophobicContact CE2-CE 4.36Å; F166-M206 HydrophobicContact CZ-CB 4.3Å; F166-M206 HydrophobicContact CZ-CE 3.97Å; F166-M206 HydrophobicContact CZ-CG 4.34Å; Y169-M206 HydrophobicContact CD2-CG 4.22Å; Y169-M206 HydrophobicContact CE2-CG 3.31Å; Y169-M206 HydrophobicContact CE2-SD 3.75Å; Y169-M206 PolarHBondContact OH-SD 3.19Å; A202-M206 WeakPolarHBondContact O-CB 3.24Å; A202-M206 PolarHBondContact O-N 2.77Å; M206-G208 PolarHBondContact O-N 2.91Å; M206-A209 HydrophobicContact CE-CB 4.03Å; M206-A209 WeakPolarHBondContact O-CB 3.29Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-A209 HydrophobicContact SD-CB 4Å; M206-V211 HydrophobicContact CE-CG2 3.88Å; M206-V218 HydrophobicContact CB-CG2 3.82Å; M206-V218 WeakPolarHBondContact O-CG2 3.41Å |
| 207 | H | 96.4 | Very high | 95.7 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 110.7 | 175 | -173.6 | 85.6 | 0 | 0 | 0 | 110.3 | Q203 V218 | Q203-H207 WeakPolarHBondContact O-CB 3.03Å; Q203-H207 PolarHBondContact O-N 3.02Å; Q203-H207 VanDerWaalsContact O-N 3.14Å; H207-V218 HydrophobicContact CB-CB 4.11Å; H207-V218 PolarHBondContact ND1-N 3.02Å; H207-V218 PolarHBondContact ND1-O 3.05Å |
| 208 | G | 95.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 1.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M206 V216 | M206-G208 PolarHBondContact O-N 2.91Å; G208-V216 WeakPolarHBondContact CA-O 3.5Å; G208-V216 PolarHBondContact N-O 2.78Å |
| 209 | A | 95.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | trans | -69.6 | 157.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M206 R215 V216 | M206-A209 HydrophobicContact CE-CB 4.03Å; M206-A209 WeakPolarHBondContact O-CB 3.29Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-A209 HydrophobicContact SD-CB 4Å; A209-R215 WeakPolarHBondContact O-CA 3.14Å; A209-V216 PolarHBondContact O-N 2.79Å | ||
| 210 | Q | 95.8 | Very high | 95.8 | Very high | 140 Ų | 140 | 68.2 Ų | 68.2 | 65% | 0.654 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.8 | 179.3 | -165.2 | 171.4 | 7.9 | 0 | 0 | 110.1 | G213 Q214 | Q210-G213 VanDerWaalsContact NE2-C 3.33Å; Q210-G213 PolarHBondContact NE2-O 3.42Å; Q210-Q214 CarbonylContact C-O 3.55Å; Q210-Q214 WeakPolarHBondContact CA-O 3.36Å |
| 211 | V | 94.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.2 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | V157 I165 M206 G213 Q214 V216 | V157-V211 HydrophobicContact CG2-CG1 4.01Å; I165-V211 HydrophobicContact CD1-CG1 3.69Å; I165-V211 HydrophobicContact CD1-CG2 4.4Å; M206-V211 HydrophobicContact CE-CG2 3.88Å; V211-G213 PolarHBondContact O-N 3.5Å; V211-Q214 PolarHBondContact N-O 3.28Å; V211-Q214 PolarHBondContact O-N 3.37Å; V211-V216 HydrophobicContact CB-CG2 3.56Å; V211-V216 HydrophobicContact CG2-CB 4.44Å; V211-V216 HydrophobicContact CG2-CG2 3.55Å |
| 212 | D | 94.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.1 | -178.1 | -168.4 | 41.3 | 0 | 0 | 0 | 113 | T154 N156 V157 Q214 | T154-D212 VanDerWaalsContact CB-OD2 3.29Å; T154-D212 WeakPolarHBondContact CB-OD2 3.46Å; T154-D212 HydrophobicContact CG2-CB 3.92Å; T154-D212 WeakPolarHBondContact CG2-O 3.4Å; T154-D212 WeakPolarHBondContact CG2-OD2 3.35Å; T154-D212 PolarHBondContact OG1-OD2 2.85Å; N156-D212 WeakPolarHBondContact CB-OD2 3.41Å; V157-D212 HydrophobicContact CG2-CB 4.2Å; D212-Q214 PolarHBondContact O-N 3.3Å |
| 213 | G | 94.7 | Very high | 93.9 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -8.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q210 V211 | Q210-G213 VanDerWaalsContact NE2-C 3.33Å; Q210-G213 PolarHBondContact NE2-O 3.42Å; V211-G213 PolarHBondContact O-N 3.5Å |
| 214 | Q | 95.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 72.2 Ų | 72.2 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.3 | -178.6 | -171.8 | 169.3 | -15.3 | 0 | 0 | 112.6 | H152 T154 Q210 V211 D212 | H152-Q214 VanDerWaalsContact O-CD 3.31Å; H152-Q214 WeakPolarHBondContact O-CG 3.5Å; H152-Q214 PolarHBondContact O-NE2 3.42Å; T154-Q214 HydrophobicContact CG2-CB 3.59Å; Q210-Q214 CarbonylContact C-O 3.55Å; Q210-Q214 WeakPolarHBondContact CA-O 3.36Å; V211-Q214 PolarHBondContact N-O 3.28Å; V211-Q214 PolarHBondContact O-N 3.37Å; D212-Q214 PolarHBondContact O-N 3.3Å |
| 215 | R | 97.4 | Very high | 90.8 | Very high | 186 Ų | 186 | 71.8 Ų | 71.8 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.3 | 175.5 | -70.8 | -179.9 | 179.3 | -110.1 | 5 | 111.2 | H152 A209 | H152-R215 WeakPolarHBondContact CB-O 3.42Å; A209-R215 WeakPolarHBondContact O-CA 3.14Å |
| 216 | V | 97.3 | Very high | 89 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 143.4 | -174.8 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | V150 G151 L153 G208 A209 V211 V218 | V150-V216 HydrophobicContact CG1-CG1 3.24Å; G151-V216 VanDerWaalsContact O-CG1 3.24Å; G151-V216 WeakPolarHBondContact O-CG1 3.3Å; L153-V216 HydrophobicContact CD2-CG1 4.02Å; L153-V216 HydrophobicContact CD2-CG2 4Å; G208-V216 WeakPolarHBondContact CA-O 3.5Å; G208-V216 PolarHBondContact N-O 2.78Å; A209-V216 PolarHBondContact O-N 2.79Å; V211-V216 HydrophobicContact CB-CG2 3.56Å; V211-V216 HydrophobicContact CG2-CB 4.44Å; V211-V216 HydrophobicContact CG2-CG2 3.55Å; V216-V218 HydrophobicContact CG1-CG2 4.19Å |
| 217 | T | 97.2 | Very high | 87.3 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.3 | 172.5 | 53 | 0 | 0 | 0 | 0 | 110 | V150 G151 H152 | V150-T217 CarbonylContact C-O 3.53Å; V150-T217 WeakPolarHBondContact CA-O 3.38Å; G151-T217 WeakPolarHBondContact CA-OG1 3.48Å; G151-T217 PolarHBondContact N-O 2.86Å; G151-T217 PolarHBondContact O-N 3.33Å; G151-T217 PolarHBondContact O-OG1 3.2Å; H152-T217 WeakPolarHBondContact ND1-CG2 3.46Å |
| 218 | V | 97.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.006 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.2 | -176.8 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | I148 H149 Q203 M206 H207 V216 | I148-V218 HydrophobicContact CD1-CG1 4.18Å; I148-V218 HydrophobicContact CG2-CB 4.49Å; I148-V218 HydrophobicContact CG2-CG1 3.28Å; H149-V218 WeakPolarHBondContact O-CA 3.29Å; Q203-V218 HydrophobicContact CB-CG1 4.4Å; M206-V218 HydrophobicContact CB-CG2 3.82Å; M206-V218 WeakPolarHBondContact O-CG2 3.41Å; H207-V218 HydrophobicContact CB-CB 4.11Å; H207-V218 PolarHBondContact ND1-N 3.02Å; H207-V218 PolarHBondContact ND1-O 3.05Å; V216-V218 HydrophobicContact CG1-CG2 4.19Å |
| 219 | A | 95.7 | Very high | 83.3 | Confident | 41 Ų | 41 | 90.4 Ų | 90.4 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I148 H149 | I148-A219 CarbonylContact C-O 3.58Å; I148-A219 WeakPolarHBondContact CA-O 3.11Å; H149-A219 PolarHBondContact N-O 3.31Å; H149-A219 PolarHBondContact O-N 3.14Å |
| 220 | P | 94.3 | Very high | 81.2 | Confident | 56 Ų | 56 | 97.2 Ų | 97.2 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 133.7 | 177 | 31 | -32.1 | 0 | 0 | 0 | 109.3 | P145 L199 | P145-P220 HydrophobicContact CB-CB 4.4Å; P145-P220 HydrophobicContact CG-CB 4.39Å; L199-P220 HydrophobicContact CD2-CB 4.18Å |
| 221 | V | 92.4 | Very high | 79.5 | Confident | 37 Ų | 37 | 95.1 Ų | 95.1 | 22% | 0.224 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.7 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | R147 H149 Y190 Y223 | R147-V221 PolarHBondContact O-N 3.46Å; H149-V221 HydrophobicContact CB-CG2 3.41Å; H149-V221 VanDerWaalsContact CB-CG2 3.41Å; Y190-V221 HydrophobicContact CE1-CG2 4.42Å; V221-Y223 HydrophobicContact CB-CD2 4.02Å; V221-Y223 HydrophobicContact CB-CE2 3.66Å; V221-Y223 HydrophobicContact CG1-CD2 3.57Å; V221-Y223 HydrophobicContact CG1-CE1 4.47Å; V221-Y223 HydrophobicContact CG1-CE2 3.25Å; V221-Y223 HydrophobicContact CG1-CG 4.37Å; V221-Y223 PolarHBondContact O-N 3.46Å; V221-Y223 VanDerWaalsContact O-N 3.14Å |
| 222 | L | 84 | Confident | 78.2 | Confident | 102 Ų | 102 | 99.9 Ų | 99.9 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | trans | -77.7 | 97.3 | 168 | -172.3 | 63.7 | 0 | 0 | 0 | 108.5 | P143 P224 | P143-L222 HydrophobicContact CG-CD1 4.15Å; P143-L222 WeakPolarHBondContact O-CD1 3.26Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å | ||
| 223 | Y | 70.5 | Confident | 76.7 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 31% | 0.31 | 52% | 0.523 | S | S | . | . | trans | -80.1 | 120.6 | 161 | -72.9 | -89.5 | 0 | 0 | 0 | 107.1 | R147 Y190 V221 R225 | R147-Y223 HydrophobicContact CB-CD2 3.74Å; R147-Y223 HydrophobicContact CB-CE2 3.85Å; R147-Y223 VanDerWaalsContact CD-CE2 3.49Å; R147-Y223 HydrophobicContact CG-CD2 4.05Å; R147-Y223 HydrophobicContact CG-CE2 4.31Å; Y190-Y223 VanDerWaalsContact CD1-OH 3.27Å; Y190-Y223 WeakPolarHBondContact CD1-OH 3.42Å; Y190-Y223 VanDerWaalsContact CE1-OH 3.25Å; Y190-Y223 WeakPolarHBondContact CE1-OH 3.46Å; V221-Y223 HydrophobicContact CB-CD2 4.02Å; V221-Y223 HydrophobicContact CB-CE2 3.66Å; V221-Y223 HydrophobicContact CG1-CD2 3.57Å; V221-Y223 HydrophobicContact CG1-CE1 4.47Å; V221-Y223 HydrophobicContact CG1-CE2 3.25Å; V221-Y223 HydrophobicContact CG1-CG 4.37Å; V221-Y223 PolarHBondContact O-N 3.46Å; V221-Y223 VanDerWaalsContact O-N 3.14Å; Y223-R225 VanDerWaalsContact C-N 3.25Å; Y223-R225 PolarHBondContact O-N 3.38Å | ||
| 224 | P | 66.3 | Low | 74.9 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | trans | -60.8 | 102.6 | 162.7 | 26.8 | -30.5 | 0 | 0 | 0 | 105.2 | L222 V226 | L222-P224 WeakPolarHBondContact O-CD 3.42Å; P224-V226 PolarHBondContact O-N 3.01Å | ||
| 225 | R | 60.1 | Low | 72.9 | Confident | 159 Ų | 159 | 115.7 Ų | 115.7 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | trans | -53.4 | 115.6 | 161 | -71.6 | -173.1 | 175.9 | 167.9 | 2.2 | 103.2 | T146 Y223 A227 | T146-R225 PolarHBondContact OG1-NH2 3.44Å; Y223-R225 VanDerWaalsContact C-N 3.25Å; Y223-R225 PolarHBondContact O-N 3.38Å; R225-A227 VanDerWaalsContact C-N 3.31Å; R225-A227 PolarHBondContact O-N 3.24Å | ||
| 226 | V | 59.4 | Low | 70.9 | Confident | 125 Ų | 125 | 118.1 Ų | 118.1 | 76% | 0.758 | 57% | 0.571 | S | S | * | * | trans | -43.4 | 106.1 | -179.5 | 177 | 0 | 0 | 0 | 0 | 105.1 | P224 R228 | P224-V226 PolarHBondContact O-N 3.01Å; V226-R228 VanDerWaalsContact C-N 3.32Å; V226-R228 PolarHBondContact O-N 2.98Å | ||
| 227 | A | 58.1 | Low | 68.7 | Low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | trans | -56.2 | 109.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 103 | R225 R229 | R225-A227 VanDerWaalsContact C-N 3.31Å; R225-A227 PolarHBondContact O-N 3.24Å; A227-R229 VanDerWaalsContact O-CA 3.26Å; A227-R229 WeakPolarHBondContact O-CA 3.48Å; A227-R229 PolarHBondContact O-N 2.9Å | ||
| 228 | R | 57.1 | Low | 67 | Low | 243 Ų | 243 | 132.3 Ų | 132.3 | 92% | 0.917 | 64% | 0.635 | S | S | * | * | trans | -46.2 | 110.6 | -170.4 | -66 | 179.2 | 102.3 | -173.1 | 8 | 104.3 | V226 F230 | V226-R228 VanDerWaalsContact C-N 3.32Å; V226-R228 PolarHBondContact O-N 2.98Å; R228-F230 PolarHBondContact O-N 3.29Å | ||
| 229 | R | 52.8 | Low | 65.3 | Low | 220 Ų | 220 | 137.4 Ų | 137.4 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | trans | -31 | 111.9 | -159.3 | -80.7 | 177.5 | 173.6 | -176.9 | -1.9 | 107.6 | A227 S231 | A227-R229 VanDerWaalsContact O-CA 3.26Å; A227-R229 WeakPolarHBondContact O-CA 3.48Å; A227-R229 PolarHBondContact O-N 2.9Å; R229-S231 VanDerWaalsContact C-N 3.34Å; R229-S231 WeakPolarHBondContact O-CA 3.37Å; R229-S231 PolarHBondContact O-N 2.81Å | ||
| 230 | F | 50.9 | Low | 63.7 | Low | 170 Ų | 170 | 141.2 Ų | 141.2 | 75% | 0.746 | 69% | 0.69 | S | S | * | * | trans | -34.2 | 108.9 | 171.2 | -180 | -92.8 | 0 | 0 | 0 | 105.4 | R228 P233 | R228-F230 PolarHBondContact O-N 3.29Å; F230-P233 HydrophobicContact CE1-CB 4.26Å | ||
| 231 | S | 60.3 | Low | 62.1 | Low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | -49.4 | 120.9 | -171.9 | -70.9 | 0 | 0 | 0 | 0 | 104.6 | R229 | R229-S231 VanDerWaalsContact C-N 3.34Å; R229-S231 WeakPolarHBondContact O-CA 3.37Å; R229-S231 PolarHBondContact O-N 2.81Å | ||
| 232 | P | 67.3 | Low | 60.5 | Low | 110 Ų | 110 | 152.5 Ų | 152.5 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | trans | -48.2 | 124.3 | -171 | 17.4 | -30.1 | 0 | 0 | 0 | 105.5 | R234 | P232-R234 PolarHBondContact O-N 3.35Š| ||
| 233 | P | 61.5 | Low | 59.2 | Low | 95 Ų | 95 | 159 Ų | 159 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | -46.7 | 115.7 | -164.2 | 16.6 | -30.4 | 0 | 0 | 0 | 106 | F230 R235 | F230-P233 HydrophobicContact CE1-CB 4.26Å; P233-R235 VanDerWaalsContact C-N 3.34Å; P233-R235 WeakPolarHBondContact O-CA 3.44Å; P233-R235 PolarHBondContact O-N 2.83Å | ||
| 234 | R | 58.4 | Low | 58.2 | Low | 232 Ų | 232 | 163.7 Ų | 163.7 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -43.6 | 109.6 | -175.7 | -87.6 | -176 | 172.5 | -114 | 1.5 | 104.2 | P232 R236 | P232-R234 PolarHBondContact O-N 3.35Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R234-R236 PolarHBondContact O-N 2.83Å | ||
| 235 | R | 52.1 | Low | 57 | Low | 238 Ų | 238 | 170.4 Ų | 170.4 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -50.1 | 108.2 | -174.8 | -79.1 | -174 | 177.6 | -158.2 | 0.2 | 103.7 | P233 R237 | P233-R235 VanDerWaalsContact C-N 3.34Å; P233-R235 WeakPolarHBondContact O-CA 3.44Å; P233-R235 PolarHBondContact O-N 2.83Å; R235-R237 PolarHBondContact O-N 3.37Å | ||
| 236 | R | 55.5 | Low | 56.7 | Low | 236 Ų | 236 | 173.2 Ų | 173.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -50.3 | 119.9 | 174.2 | -81.5 | -171.7 | 172.5 | -145.1 | 0.1 | 102.8 | R234 S238 | R234-R236 VanDerWaalsContact C-N 3.29Å; R234-R236 PolarHBondContact O-N 2.83Å; R236-S238 PolarHBondContact O-N 3.22Å | ||
| 237 | R | 52.7 | Low | 56.7 | Low | 241 Ų | 241 | 172.1 Ų | 172.1 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -29.6 | 118.5 | 177.2 | -78.4 | 174.6 | 170.4 | 166 | -4.1 | 106.7 | R235 | R235-R237 PolarHBondContact O-N 3.37Š| ||
| 238 | S | 59.5 | Low | 56.7 | Low | 108 Ų | 108 | 174 Ų | 174 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -36.3 | 128 | -176.2 | -57.4 | 0 | 0 | 0 | 0 | 108.7 | R236 | R236-S238 PolarHBondContact O-N 3.22Š| ||
| 239 | P | 63.4 | Low | 56.7 | Low | 107 Ų | 107 | 166.5 Ų | 166.5 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -51 | 137.4 | 177 | 22 | -31.1 | 0 | 0 | 0 | 107.1 | R241 | P239-R241 PolarHBondContact O-N 2.54Š|
| 240 | P | 61.7 | Low | 57.1 | Low | 122 Ų | 122 | 161.7 Ų | 161.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 122.6 | -179.6 | 20.5 | -30.9 | 0 | 0 | 0 | 107.3 | ||
| 241 | R | 60.5 | Low | 56.8 | Low | 230 Ų | 230 | 163.7 Ų | 163.7 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 128.2 | -179 | -69.1 | 179.7 | 177.4 | -116.7 | 2.9 | 107.3 | P239 R243 | P239-R241 PolarHBondContact O-N 2.54Å; R241-R243 PolarHBondContact O-N 3.29Å |
| 242 | P | 58.4 | Low | 56.1 | Low | 100 Ų | 100 | 170.7 Ų | 170.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -52.4 | 114.8 | 178.1 | -24.3 | 31.8 | 0 | 0 | 0 | 108.9 | Y244 | P242-Y244 HydrophobicContact CB-CE2 4.21Å; P242-Y244 PolarHBondContact O-N 2.99Å | ||
| 243 | R | 57.1 | Low | 54.9 | Low | 237 Ų | 237 | 172.9 Ų | 172.9 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -82.3 | 39.2 | -172.4 | -152.1 | -179.9 | -164.7 | 177.6 | 3.7 | 110.5 | R241 | R241-R243 PolarHBondContact O-N 3.29Š|
| 244 | Y | 49 | Very low | 53.8 | Low | 178 Ų | 178 | 178.7 Ų | 178.7 | 70% | 0.698 | 80% | 0.797 | S | S | * | * | trans | -171.2 | 73.7 | -172.8 | 32.9 | -96.8 | 0 | 0 | 0 | 111.4 | P242 | P242-Y244 HydrophobicContact CB-CE2 4.21Å; P242-Y244 PolarHBondContact O-N 2.99Å | ||
| 245 | W | 41.9 | Very low | 53.1 | Low | 246 Ų | 246 | 179.1 Ų | 179.1 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -148.9 | 70.5 | 139.7 | -89.9 | 97.2 | 0 | 0 | 0 | 105.6 | P247 | W245-P247 WeakPolarHBondContact O-CD 3.34Š| ||
| 246 | R | 54.1 | Low | 52.4 | Low | 219 Ų | 219 | 177.3 Ų | 177.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -79.8 | 112.8 | 164.6 | -167.5 | 168.5 | -177.7 | -115 | 3 | 105.1 | ||||
| 247 | P | 59.2 | Low | 51.7 | Low | 101 Ų | 101 | 171.3 Ų | 171.3 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 142 | 176 | 5.4 | -4.2 | 0 | 0 | 0 | 108.6 | W245 S249 | W245-P247 WeakPolarHBondContact O-CD 3.34Å; P247-S249 PolarHBondContact O-N 2.96Å |
| 248 | P | 58.3 | Low | 51.1 | Low | 126 Ų | 126 | 170.1 Ų | 170.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.7 | 175.8 | -21.6 | 31.1 | 0 | 0 | 0 | 108.7 | ||
| 249 | S | 56.7 | Low | 50.3 | Low | 84 Ų | 84 | 170.6 Ų | 170.6 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 133.1 | 174.6 | 44.9 | 0 | 0 | 0 | 0 | 108.8 | P247 R251 | P247-S249 PolarHBondContact O-N 2.96Å; S249-R251 PolarHBondContact O-N 2.87Å |
| 250 | P | 60 | Low | 49.3 | Very low | 119 Ų | 119 | 168.8 Ų | 168.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 130.3 | -179 | -23.3 | 30.6 | 0 | 0 | 0 | 109.5 | R252 | P250-R252 PolarHBondContact O-N 3.3Š|
| 251 | R | 45.6 | Very low | 48.6 | Very low | 213 Ų | 213 | 167.8 Ų | 167.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -57.3 | 86.4 | 175.6 | -69.8 | 175.6 | 171.4 | -118.1 | 2.7 | 109.5 | S249 F253 | S249-R251 PolarHBondContact O-N 2.87Å; R251-F253 VanDerWaalsContact C-N 3.33Å; R251-F253 HydrophobicContact CB-CD2 4.12Å; R251-F253 HydrophobicContact CB-CE2 4.1Å; R251-F253 HydrophobicContact CG-CE2 4.44Å; R251-F253 PolarHBondContact O-N 3.29Å | ||
| 252 | R | 44.9 | Very low | 47.3 | Very low | 242 Ų | 242 | 166.2 Ų | 166.2 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 86.5 | 156.8 | -78.8 | -168 | -169.5 | -177.4 | 4.6 | 107.2 | P250 R254 | P250-R252 PolarHBondContact O-N 3.3Å; R252-R254 PolarHBondContact O-N 3.09Å; R252-R254 VanDerWaalsContact O-N 3.15Å | ||
| 253 | F | 42.5 | Very low | 46.9 | Very low | 156 Ų | 156 | 170.3 Ų | 170.3 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | trans | -52.3 | 118.1 | 160.1 | -80.8 | -83.9 | 0 | 0 | 0 | 109 | R251 | R251-F253 VanDerWaalsContact C-N 3.33Å; R251-F253 HydrophobicContact CB-CD2 4.12Å; R251-F253 HydrophobicContact CB-CE2 4.1Å; R251-F253 HydrophobicContact CG-CE2 4.44Å; R251-F253 PolarHBondContact O-N 3.29Å | ||
| 254 | R | 37.9 | Very low | 46.1 | Very low | 217 Ų | 217 | 169.6 Ų | 169.6 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | 40.1 | 92.6 | 152.5 | -74.2 | 178.6 | 169.8 | -178.6 | -1.9 | 116.3 | R252 | R252-R254 PolarHBondContact O-N 3.09Å; R252-R254 VanDerWaalsContact O-N 3.15Å | ||
| 255 | R | 44.8 | Very low | 45.7 | Very low | 241 Ų | 241 | 170.1 Ų | 170.1 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -111.6 | 101.4 | 131.9 | -78.4 | -165.7 | 178.7 | -131.3 | 1.5 | 108.2 | S257 | R255-S257 VanDerWaalsContact C-N 3.28Å; R255-S257 PolarHBondContact O-N 3.24Å | ||
| 256 | R | 37.7 | Very low | 45.5 | Very low | 201 Ų | 201 | 168.5 Ų | 168.5 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 83.9 | 177.4 | -173.3 | 162 | -172.3 | 168.6 | 0.1 | 108 | ||||
| 257 | S | 39.5 | Very low | 45.3 | Very low | 109 Ų | 109 | 162.9 Ų | 162.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -104.6 | 82.3 | 167 | -51.5 | 0 | 0 | 0 | 0 | 106.8 | R255 S259 | R255-S257 VanDerWaalsContact C-N 3.28Å; R255-S257 PolarHBondContact O-N 3.24Å; S257-S259 PolarHBondContact O-N 2.87Å; S257-S259 VanDerWaalsContact O-N 3.12Å | ||
| 258 | R | 40.1 | Very low | 44.4 | Very low | 217 Ų | 217 | 169.2 Ų | 169.2 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -69 | 106.5 | 173.7 | -139 | 175.5 | -171.6 | -161.3 | -1.1 | 106.3 | ||||
| 259 | S | 42.3 | Very low | 44 | Very low | 117 Ų | 117 | 168.2 Ų | 168.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -58.5 | 148.3 | 158.7 | 66.4 | 0 | 0 | 0 | 0 | 108.2 | S257 | S257-S259 PolarHBondContact O-N 2.87Å; S257-S259 VanDerWaalsContact O-N 3.12Å | ||
| 260 | G | 42.8 | Very low | 43.8 | Very low | 70 Ų | 70 | 169.1 Ų | 169.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 170.9 | 61.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F262 | G260-F262 PolarHBondContact O-N 3.22Š| ||
| 261 | S | 46.7 | Very low | 43.2 | Very low | 101 Ų | 101 | 172.3 Ų | 172.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -30.2 | 129.3 | 159.8 | 45.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 262 | F | 34.6 | Very low | 43.2 | Very low | 197 Ų | 197 | 170.1 Ų | 170.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 30.6 | 100.9 | 134.2 | -57.2 | -84.5 | 0 | 0 | 0 | 116.7 | G260 | G260-F262 PolarHBondContact O-N 3.22Š| ||
| 263 | Q | 49.3 | Very low | 43.4 | Very low | 186 Ų | 186 | 164.6 Ų | 164.6 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -161.2 | 109.4 | 130.8 | -108.1 | 162.7 | -15.1 | 0 | 0 | 110.8 | ||||
| 264 | R | 40.6 | Very low | 43.9 | Very low | 222 Ų | 222 | 161.2 Ų | 161.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 37.6 | 104.9 | 135.8 | -75.6 | 175.4 | 172.6 | -115.2 | 0.3 | 116.3 | ||||
| 265 | R | 40.7 | Very low | 44.3 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | 79 | 119.3 | 87.9 | -83.2 | -173.6 | 179.3 | -124.6 | -2.5 | 113.1 | |||||
| 266 | R | 38.3 | Very low | 44.5 | Very low | 212 Ų | 212 | 155.7 Ų | 155.7 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 72.1 | 132.9 | 146.1 | -63.1 | 172.9 | 172.7 | -151.7 | -4.6 | 114 | ||||
| 267 | S | 49.6 | Very low | 45.4 | Very low | 101 Ų | 101 | 154.6 Ų | 154.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -166.7 | 130.6 | 17.2 | 4.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 268 | R | 40.3 | Very low | 46.1 | Very low | 234 Ų | 234 | 158.2 Ų | 158.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | 55.9 | 92.7 | 108.5 | -70.2 | -172.5 | 173.6 | -156.9 | -2.1 | 112.8 | |||||
| 269 | S | 50 | Low | 46.4 | Very low | 105 Ų | 105 | 155.3 Ų | 155.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | 87.9 | 164.5 | 98.6 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 270 | P | 50.8 | Low | 46.7 | Very low | 103 Ų | 103 | 157.3 Ų | 157.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -127.2 | 160.6 | -3.1 | 6.1 | 22.4 | 0 | 0 | 0 | 112.5 | ||||
| 271 | R | 47.5 | Very low | 46.9 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 70% | 0.698 | 79% | 0.792 | S | S | * | * | 58 | 110.1 | 92.1 | -132.3 | -173.7 | 164.1 | -169.4 | -1 | 109.3 | |||||
| 272 | W | 45.9 | Very low | 46.9 | Very low | 167 Ų | 167 | 165.8 Ų | 165.8 | 63% | 0.633 | 80% | 0.797 | S | S | * | * | 167.5 | 157.2 | 77 | -91.3 | 120 | 0 | 0 | 0 | 113 | |||||
| 273 | L | 50.1 | Low | 47.7 | Very low | 127 Ų | 127 | 163.8 Ų | 163.8 | 67% | 0.665 | 79% | 0.793 | S | S | * | * | trans | 64.6 | 110 | 133.3 | -66 | 154.3 | 0 | 0 | 0 | 117.8 | ||||
| 274 | A | 52.5 | Low | 47.5 | Very low | 85 Ų | 85 | 162.3 Ų | 162.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | 83.7 | 134.9 | 71.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 275 | R | 46.7 | Very low | 48 | Very low | 229 Ų | 229 | 158.1 Ų | 158.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | 135 | 98.9 | 116.2 | -155.1 | 160.2 | -177.2 | -110.9 | 0.6 | 112.4 | |||||
| 276 | S | 48.9 | Very low | 48.6 | Very low | 112 Ų | 112 | 155.7 Ų | 155.7 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 135.1 | 148.7 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 277 | H | 55.6 | Low | 49.5 | Very low | 178 Ų | 178 | 151 Ų | 151 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -40.1 | 150.9 | 174.1 | -53 | 87.5 | 0 | 0 | 0 | 113.3 | ||||
| 278 | S | 55.7 | Low | 49.5 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 100% | 1.301 | 80% | 0.796 | S | S | * | * | cis | -157.4 | 0 | 36.1 | 53.5 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 278 of 278 residues in 79 ms
(Link to these results)