| 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 | 27.1 | Very low | 31 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 95% | 0.951 | 73% | 0.725 | S | S | * | * | 0 | 143.6 | 0 | -76.6 | -59.4 | -159.3 | 0 | 0 | 109.1 | |||||
| 2 | C | 31.4 | Very low | 31 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | trans | -133.3 | 113.6 | 160.7 | -64.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | T | 27.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | -161.7 | 136.8 | -160.9 | 39.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | L | 28.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | cis | -138 | 143.9 | 15.1 | -85.6 | 107.2 | 0 | 0 | 0 | 112.4 | ||||
| 5 | E | 29 | Very low | 30.8 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | 45.6 | 155.6 | 115 | -53.9 | -156.8 | 139.8 | 0 | 0 | 121.9 | |||||
| 6 | K | 31.6 | Very low | 30.6 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | cis | -159.9 | 138.4 | -3.1 | -116.9 | 168.8 | -176.2 | 143.1 | 0 | 107.4 | ||||
| 7 | S | 30.2 | Very low | 30.4 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | 85.4 | 161.2 | 80.3 | 83.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 8 | D | 30.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 123.4 | 146 | 157.8 | -69.7 | 14.2 | 0 | 0 | 0 | 114 | ||||
| 9 | L | 31.4 | Very low | 30.1 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -162.8 | -161.9 | -11.5 | -109.2 | 173.2 | 0 | 0 | 0 | 105.9 | ||||
| 10 | P | 44.4 | Very low | 30 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | cis | -115.9 | -159.2 | -4.1 | 22.8 | 4.7 | 0 | 0 | 0 | 111.3 | ||||
| 11 | V | 30.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | cis | -152.9 | 149.8 | 13.9 | -142.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | T | 31.1 | Very low | 29.6 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 45.5 | 135.6 | 157.4 | 45 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 13 | S | 29.6 | Very low | 29.4 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | cis | -168.1 | 152.4 | 0.4 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | A | 29.8 | Very low | 29.5 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | trans | 74.9 | 114.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 15 | H | 29.9 | Very low | 29.4 | Very low | 181 Ų | 181 | 122.3 Ų | 122.3 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | trans | 69.5 | 152.7 | 135.3 | -71.8 | 47.4 | 0 | 0 | 0 | 120.1 | ||||
| 16 | S | 29 | Very low | 29.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | cis | -173.2 | 130.2 | -27 | -96.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | I | 26.3 | Very low | 29.2 | Very low | 160 Ų | 160 | 123.1 Ų | 123.1 | 82% | 0.821 | 72% | 0.717 | S | S | * | * | trans | 63.8 | 156.9 | 144.4 | -56.3 | 170.9 | 0 | 0 | 0 | 118 | ||||
| 18 | A | 27.5 | Very low | 29.3 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | trans | 73.7 | 158.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 19 | I | 27.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | cis | -168.8 | 155.3 | -35.2 | -134.2 | 169.4 | 0 | 0 | 0 | 109.7 | ||||
| 20 | I | 27.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | 59.6 | 126.4 | 154.9 | -71.6 | 173.4 | 0 | 0 | 0 | 121.7 | ||||
| 21 | N | 25 | Very low | 29 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | 36.1 | 147 | 141 | -51.5 | -12 | 0 | 0 | 0 | 124.7 | ||||
| 22 | S | 24.6 | Very low | 29.1 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | 96.5 | 137.9 | 127.6 | 68.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 23 | T | 27.3 | Very low | 29.2 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 68% | 0.681 | 72% | 0.715 | S | S | * | * | trans | 57.4 | 111.1 | 141.3 | 48.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 24 | I | 28.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | 57.3 | 139.5 | 102.7 | -68.1 | 172.6 | 0 | 0 | 0 | 119.3 | |||||
| 25 | S | 26.2 | Very low | 29.4 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | trans | 92.1 | 97.8 | 152.7 | -88.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 26 | R | 27.6 | Very low | 29.2 | Very low | 228 Ų | 228 | 132.1 Ų | 132.1 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | 93.9 | 136.1 | 99 | -106.7 | -170.4 | 168.4 | 104.5 | -6.2 | 122 | |||||
| 27 | A | 28.6 | Very low | 29.2 | Very low | 75 Ų | 75 | 136 Ų | 136 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | 71.5 | 118.9 | 126.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 28 | S | 32.7 | Very low | 29.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | -178.9 | 149.1 | 107.4 | -85.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 29 | L | 30.8 | Very low | 29.3 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | cis | -160.7 | 171.2 | -15.3 | -160.1 | 70.5 | 0 | 0 | 0 | 109.1 | ||||
| 30 | M | 33.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | trans | 94.7 | 118.8 | 155.9 | -52.6 | -128.2 | 67.2 | 0 | 0 | 119.6 | ||||
| 31 | D | 35.4 | Very low | 29.7 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | trans | 62.1 | 147.7 | 139.5 | -74.5 | 10.3 | 0 | 0 | 0 | 123.7 | ||||
| 32 | R | 32.7 | Very low | 29.8 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | cis | -166.2 | 152.3 | -37.7 | -130.6 | 178.5 | 166.9 | 169.9 | -4.3 | 110.7 | ||||
| 33 | Q | 32.6 | Very low | 30.4 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | trans | 66.8 | 134.8 | 145.3 | -87.1 | 166.7 | -35 | 0 | 0 | 122.5 | ||||
| 34 | N | 32.3 | Very low | 30.5 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | trans | 78.8 | 153.7 | 137.3 | -67.1 | -15.2 | 0 | 0 | 0 | 121.2 | ||||
| 35 | K | 32.4 | Very low | 30.4 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | cis | -171.4 | 134.7 | -32.6 | -158.6 | -177.1 | 176.9 | -176.6 | 0 | 110.3 | ||||
| 36 | L | 24.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 139 Ų | 139 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | trans | 58.7 | 157 | 154 | -104.4 | 58.8 | 0 | 0 | 0 | 123.3 | ||||
| 37 | H | 30.7 | Very low | 30.6 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | 70.7 | 97.6 | 153.1 | -67.8 | -30.4 | 0 | 0 | 0 | 122.2 | ||||
| 38 | S | 25.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | -2.2 | 134.4 | 120.5 | -179.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 39 | V | 29 | Very low | 30.2 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -163 | 134.2 | 135.7 | 117.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 40 | K | 31.6 | Very low | 30 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | 84.5 | 141.7 | 149.1 | -83 | -176.8 | 158.5 | -146.6 | 0 | 126.7 | ||||
| 41 | D | 31.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | 74 | 81.3 | 139.3 | -54.7 | -11.4 | 0 | 0 | 0 | 122.3 | ||||
| 42 | D | 27.1 | Very low | 29.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | 35.3 | 163.5 | 112.8 | -84.7 | -26.2 | 0 | 0 | 0 | 124.6 | |||||
| 43 | P | 38.9 | Very low | 29.2 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -119.5 | -171.4 | -155.1 | 45 | -35.4 | 0 | 0 | 0 | 117.4 | ||||
| 44 | S | 27.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | 85.6 | 150.9 | 169.8 | 88.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 45 | S | 26.9 | Very low | 28.7 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | cis | -164.2 | 175.4 | -14.8 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 46 | H | 28.8 | Very low | 28.6 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | trans | 66.8 | 160.6 | 178.2 | -64.2 | -88.4 | 0 | 0 | 0 | 115.5 | ||||
| 47 | H | 29.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -138.5 | 174.3 | 9.1 | -161.7 | -98.4 | 0 | 0 | 0 | 112.7 | ||||
| 48 | C | 24.4 | Very low | 28.5 | Very low | 96 Ų | 96 | 144 Ų | 144 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -70.2 | 156.4 | -176.5 | -51.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 49 | F | 28.2 | Very low | 28.9 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | -162.3 | 176.2 | 113.1 | -118.3 | -82.3 | 0 | 0 | 0 | 114.1 | |||||
| 50 | I | 26.9 | Very low | 29 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -115.5 | 134.6 | -162 | -64.8 | 156.1 | 0 | 0 | 0 | 111.2 | ||||
| 51 | N | 27.1 | Very low | 29 | Very low | 147 Ų | 147 | 152 Ų | 152 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | -168.2 | 179.7 | 121.9 | -124.6 | -60 | 0 | 0 | 0 | 117.1 | |||||
| 52 | S | 25.2 | Very low | 29.1 | Very low | 89 Ų | 89 | 152 Ų | 152 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | trans | -136 | 156.5 | -165.3 | 65.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 53 | K | 32.1 | Very low | 29.1 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | 159.9 | 121.6 | 154.1 | -87.4 | 148.2 | -167.2 | 173.9 | 0 | 107.7 | ||||
| 54 | N | 25.7 | Very low | 28.6 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | 83.9 | 87.9 | 12.8 | -162.4 | -4 | 0 | 0 | 0 | 117.4 | ||||
| 55 | R | 28.5 | Very low | 28.6 | Very low | 215 Ų | 215 | 148.6 Ų | 148.6 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | 179 | 128.6 | 137.3 | -96.9 | 163.2 | -168.5 | -149.3 | 4.7 | 110.4 | ||||
| 56 | K | 30.1 | Very low | 28.8 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | 68.1 | 135 | 86.2 | -68.2 | -170.9 | -167.9 | -179 | 0 | 113.9 | |||||
| 57 | S | 26.9 | Very low | 29.1 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -151.2 | -134.7 | -7 | -154.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 58 | Y | 27.4 | Very low | 29.3 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | cis | -162.5 | 131.4 | 5.4 | -131 | -34.9 | 0 | 0 | 0 | 110.9 | ||||
| 59 | K | 32.7 | Very low | 29.9 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 90% | 0.9 | 74% | 0.738 | S | S | * | * | trans | -168.4 | 161.2 | 145.1 | -108.4 | 165 | -172.4 | 178.2 | 0 | 111.7 | ||||
| 60 | N | 30.8 | Very low | 30.4 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -101.1 | 166.2 | -148.8 | -72.1 | -34.4 | 0 | 0 | 0 | 117 | ||||
| 61 | R | 32.8 | Very low | 31.2 | Very low | 220 Ų | 220 | 146.1 Ų | 146.1 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | trans | -97.2 | 152.5 | 175.1 | -145.8 | -169.8 | -168.2 | -178 | 7.5 | 110.9 | ||||
| 62 | P | 33.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | -136.2 | -169.5 | 103.9 | 42.2 | -32.4 | 0 | 0 | 0 | 111 | |||||
| 63 | S | 27.2 | Very low | 32.5 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | cis | -134.4 | -137.3 | -2.2 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 64 | S | 27.5 | Very low | 32.9 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | trans | -143.3 | 97.3 | 178 | 173.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 65 | S | 27.7 | Very low | 33.5 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -154.7 | -30.1 | 170.1 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | Y67 | S65-Y67 VanDerWaalsContact C-N 3.3Å; S65-Y67 PolarHBondContact O-N 3.27Å | ||
| 66 | M | 31.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 52.6 | -165.4 | -108.1 | -86.6 | -103.3 | 0 | 0 | 116.3 | L69 | M66-L69 HydrophobicContact SD-CB 4.09Å; M66-L69 HydrophobicContact SD-CD2 4.17Å |
| 67 | Y | 34.1 | Very low | 35.1 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -16.6 | 177 | -121.5 | -80.9 | 0 | 0 | 0 | 116.8 | S65 | S65-Y67 VanDerWaalsContact C-N 3.3Å; S65-Y67 PolarHBondContact O-N 3.27Å |
| 68 | R | 35.1 | Very low | 35.8 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 59% | 0.589 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -78 | -38.5 | 168.9 | -86.3 | -177.8 | 166.1 | 179.3 | -7.2 | 112 | K70 I71 | R68-K70 VanDerWaalsContact C-N 3.34Å; R68-K70 PolarHBondContact O-N 2.66Å; R68-I71 PolarHBondContact O-N 2.87Å |
| 69 | L | 37.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 53% | 0.534 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68 | -26.5 | -173.6 | -141.8 | 70.8 | 0 | 0 | 0 | 114.7 | M66 I71 K73 | M66-L69 HydrophobicContact SD-CB 4.09Å; M66-L69 HydrophobicContact SD-CD2 4.17Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-I71 PolarHBondContact O-N 3.49Å; L69-K73 PolarHBondContact O-N 3.4Å |
| 70 | K | 38.5 | Very low | 37 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.1 | -15.3 | 178.3 | -73.9 | -173.5 | 175.5 | -177.9 | 0 | 114.1 | R68 R74 | R68-K70 VanDerWaalsContact C-N 3.34Å; R68-K70 PolarHBondContact O-N 2.66Å; K70-R74 WeakPolarHBondContact O-CB 3.33Å |
| 71 | I | 43.3 | Very low | 37.6 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 56% | 0.564 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.3 | -46.3 | 173.6 | -63.9 | 176.8 | 0 | 0 | 0 | 109.6 | R68 L69 K73 R74 C75 | R68-I71 PolarHBondContact O-N 2.87Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-I71 PolarHBondContact O-N 3.49Å; I71-K73 PolarHBondContact O-N 3.34Å; I71-R74 CarbonylContact O-C 3.6Å; I71-R74 WeakPolarHBondContact O-CA 3.19Å; I71-R74 PolarHBondContact O-N 3.22Å; I71-C75 PolarHBondContact O-N 3.44Å |
| 72 | L | 36.4 | Very low | 38 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59.1 | -46.3 | 174.8 | -71.2 | 164.2 | 0 | 0 | 0 | 112 | R74 C75 G76 | L72-R74 PolarHBondContact O-N 2.71Å; L72-C75 PolarHBondContact O-N 3.05Å; L72-G76 PolarHBondContact O-N 2.98Å |
| 73 | K | 43.1 | Very low | 38.4 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.5 | 7.5 | 171.9 | -72.2 | -162.8 | 174.8 | -169.8 | 0 | 115 | L69 I71 R77 | L69-K73 PolarHBondContact O-N 3.4Å; I71-K73 PolarHBondContact O-N 3.34Å; K73-R77 PolarHBondContact O-NE 3.02Å; K73-R77 VanDerWaalsContact O-NE 3.12Å; K73-R77 PolarHBondContact O-NH2 2.76Å |
| 74 | R | 39.8 | Very low | 38.7 | Very low | 196 Ų | 196 | 123.9 Ų | 123.9 | 74% | 0.74 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -116.8 | -35.3 | 169.6 | -160.8 | 169.3 | -175.5 | 121 | -1.6 | 112.4 | K70 I71 L72 R77 H78 | K70-R74 WeakPolarHBondContact O-CB 3.33Å; I71-R74 CarbonylContact O-C 3.6Å; I71-R74 WeakPolarHBondContact O-CA 3.19Å; I71-R74 PolarHBondContact O-N 3.22Å; L72-R74 PolarHBondContact O-N 2.71Å; R74-R77 PolarHBondContact O-N 3.39Å; R74-H78 PolarHBondContact O-N 3.08Å |
| 75 | C | 38.4 | Very low | 38.9 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 48% | 0.48 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.9 | -48.4 | 166.4 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | I71 L72 R77 H78 L79 | I71-C75 PolarHBondContact O-N 3.44Å; L72-C75 PolarHBondContact O-N 3.05Å; C75-R77 PolarHBondContact O-N 3.49Å; C75-H78 PolarHBondContact O-N 3.03Å; C75-L79 PolarHBondContact O-N 3.01Å |
| 76 | G | 47.7 | Very low | 39.1 | Very low | 44 Ų | 44 | 128.2 Ų | 128.2 | 45% | 0.454 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.9 | -32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L72 K80 | L72-G76 PolarHBondContact O-N 2.98Å; G76-K80 WeakPolarHBondContact O-CB 3.44Å; G76-K80 PolarHBondContact O-N 3.07Å |
| 77 | R | 44.7 | Very low | 38.9 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.7 | -20.8 | 172.9 | -94.9 | -172.2 | -73.8 | -165.7 | -7.7 | 114.3 | K73 R74 C75 R81 | K73-R77 PolarHBondContact O-NE 3.02Å; K73-R77 VanDerWaalsContact O-NE 3.12Å; K73-R77 PolarHBondContact O-NH2 2.76Å; R74-R77 PolarHBondContact O-N 3.39Å; C75-R77 PolarHBondContact O-N 3.49Å; R77-R81 WeakPolarHBondContact O-CG 3.21Å; R77-R81 PolarHBondContact O-N 2.96Å |
| 78 | H | 41.7 | Very low | 38.5 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.9 | -35 | 171.3 | -138.7 | -42.1 | 0 | 0 | 0 | 111.3 | R74 C75 R81 L82 | R74-H78 PolarHBondContact O-N 3.08Å; C75-H78 PolarHBondContact O-N 3.03Å; H78-R81 CarbonylContact O-C 3.58Å; H78-R81 PolarHBondContact O-N 3.15Å; H78-L82 PolarHBondContact O-N 3.49Å |
| 79 | L | 41.5 | Very low | 38.3 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 42% | 0.419 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.5 | -46 | 172.7 | -156.1 | 75 | 0 | 0 | 0 | 110.9 | C75 R81 L82 I83 | C75-L79 PolarHBondContact O-N 3.01Å; L79-R81 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact O-N 3.13Å; L79-L82 PolarHBondContact O-N 3.25Å; L79-I83 HydrophobicContact CD2-CD1 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CG1 3Å; L79-I83 PolarHBondContact O-N 3.06Å |
| 80 | K | 43.4 | Very low | 37.7 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.6 | -16.4 | 173.2 | -165.3 | 164.6 | -176.3 | 174 | 0 | 113.5 | G76 G84 | G76-K80 WeakPolarHBondContact O-CB 3.44Å; G76-K80 PolarHBondContact O-N 3.07Å; K80-G84 PolarHBondContact O-N 3.11Å; K80-G84 VanDerWaalsContact O-N 3.16Å |
| 81 | R | 44.8 | Very low | 37.3 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -94.3 | -15.5 | 169.8 | -77.3 | 178.5 | 178.6 | 174.7 | -4.2 | 114.9 | R77 H78 L79 | R77-R81 WeakPolarHBondContact O-CG 3.21Å; R77-R81 PolarHBondContact O-N 2.96Å; H78-R81 CarbonylContact O-C 3.58Å; H78-R81 PolarHBondContact O-N 3.15Å; L79-R81 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact O-N 3.13Å |
| 82 | L | 40.4 | Very low | 36.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 70% | 0.696 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -90.1 | -24.6 | 172.2 | -92 | 153.9 | 0 | 0 | 0 | 111.6 | H78 L79 | H78-L82 PolarHBondContact O-N 3.49Å; L79-L82 PolarHBondContact O-N 3.25Å |
| 83 | I | 42.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -90.9 | -30 | 173.1 | -63.2 | 172.1 | 0 | 0 | 0 | 110.8 | L79 H85 | L79-I83 HydrophobicContact CD2-CD1 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CG1 3Å; L79-I83 PolarHBondContact O-N 3.06Å; I83-H85 PolarHBondContact O-N 2.87Å |
| 84 | G | 32.2 | Very low | 35.7 | Very low | 54 Ų | 54 | 135.3 Ų | 135.3 | 56% | 0.557 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -96.8 | 44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K80 | K80-G84 PolarHBondContact O-N 3.11Å; K80-G84 VanDerWaalsContact O-N 3.16Å |
| 85 | H | 32.5 | Very low | 35 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 70% | 0.704 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -147.8 | 40.3 | 176 | -123.2 | -2.6 | 0 | 0 | 0 | 112.5 | I83 | I83-H85 PolarHBondContact O-N 2.87Š|
| 86 | K | 31.7 | Very low | 34.7 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -148.9 | 32.9 | 163.4 | -152.9 | -140.7 | 177.9 | -142.1 | 0 | 112.5 | E131 | K86-E131 IonicContact NZ-OE1 2.6Å; K86-E131 PolarHBondContact NZ-OE1 3.02Å |
| 87 | M | 27.9 | Very low | 33.7 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | trans | -147.3 | 77.5 | 168.8 | -70 | -166.8 | 74.9 | 0 | 0 | 107.9 | ||||
| 88 | D | 25.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | trans | -106.8 | 100.3 | 149.7 | -70.5 | -60.6 | 0 | 0 | 0 | 104.3 | ||||
| 89 | V | 31.1 | Very low | 32.5 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 71% | 0.705 | S | S | * | * | trans | -123.9 | 128.1 | 163.6 | 172.2 | 0 | 0 | 0 | 0 | 103.2 | E91 | V89-E91 PolarHBondContact O-N 3.31Š| ||
| 90 | D | 24.8 | Very low | 31.9 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | -64.1 | 117.7 | -174.6 | -61.8 | -76.7 | 0 | 0 | 0 | 110.9 | ||||
| 91 | E | 29.1 | Very low | 31.2 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | -145.6 | 110.2 | 161.9 | -158.3 | 158.7 | -126.7 | 0 | 0 | 110.3 | V89 | V89-E91 PolarHBondContact O-N 3.31Š| ||
| 92 | T | 30.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -88.1 | 119.3 | 173.8 | 49.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 93 | V | 28.7 | Very low | 30 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | 49.4 | 110 | 127.4 | 176.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 94 | F | 30.1 | Very low | 29.5 | Very low | 169 Ų | 169 | 137 Ų | 137 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | cis | -132.6 | 163.1 | 31.1 | -79.6 | -88.5 | 0 | 0 | 0 | 110.7 | ||||
| 95 | E | 25.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | 46.7 | 119.8 | 73.9 | -99.5 | 164.6 | -155.3 | 0 | 0 | 111.5 | |||||
| 96 | N | 31.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | cis | -145.4 | 146.6 | 36.7 | -54.4 | -85.5 | 0 | 0 | 0 | 112.2 | ||||
| 97 | N | 27.8 | Very low | 28.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | 13.3 | 144.8 | 105.8 | -77.5 | 51.6 | 0 | 0 | 0 | 117.8 | |||||
| 98 | D | 31.2 | Very low | 28.4 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | cis | -160.4 | 160.1 | 17.5 | -109.9 | -29.5 | 0 | 0 | 0 | 112 | ||||
| 99 | E | 29.7 | Very low | 28.4 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | trans | 60.2 | 151.4 | 144.5 | -65.2 | -177 | 171.2 | 0 | 0 | 120.3 | ||||
| 100 | N | 28.8 | Very low | 28.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | cis | -161 | 172.1 | -11.1 | -112.4 | -13.1 | 0 | 0 | 0 | 111.1 | ||||
| 101 | E | 27.7 | Very low | 28.2 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | 45 | 134.2 | 141 | -64.9 | 169.6 | 167.4 | 0 | 0 | 119.6 | ||||
| 102 | D | 29.9 | Very low | 28 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | cis | -147.4 | -172.7 | 5.7 | -87.9 | -37.7 | 0 | 0 | 0 | 107.7 | ||||
| 103 | D | 31.7 | Very low | 28.4 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | cis | -165.3 | 166.6 | 24.1 | -159.9 | 0.1 | 0 | 0 | 0 | 112.5 | ||||
| 104 | N | 31.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | trans | 48 | 111.2 | 153.9 | -85.2 | -55.7 | 0 | 0 | 0 | 120.2 | ||||
| 105 | C | 25.4 | Very low | 28.3 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | 77.4 | 146.5 | 92.6 | -77.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 106 | S | 27.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | cis | -173.6 | 136.3 | -2.1 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 107 | F | 25.5 | Very low | 28.3 | Very low | 204 Ų | 204 | 128.3 Ų | 128.3 | 90% | 0.895 | 71% | 0.705 | S | S | * | * | trans | 59.7 | 163.9 | 157.3 | -74.3 | -119.1 | 0 | 0 | 0 | 118.3 | ||||
| 108 | S | 23 | Very low | 28.3 | Very low | 85 Ų | 85 | 130 Ų | 130 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | cis | -161.8 | 162.4 | -37.2 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 109 | T | 24.9 | Very low | 28 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | trans | 60.5 | 116.4 | 149.4 | 48.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 110 | N | 24.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | 70.8 | 150.1 | 139.6 | -50.6 | -22.2 | 0 | 0 | 0 | 118.3 | ||||
| 111 | S | 28.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | cis | -153.4 | 164.7 | 12.5 | 51.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 112 | C | 24.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | trans | -110 | -178.7 | 169.9 | -123.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 113 | P | 38.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | cis | -129.2 | -172.5 | -5.3 | 37.2 | -15.9 | 0 | 0 | 0 | 114.1 | ||||
| 114 | T | 28.3 | Very low | 28.4 | Very low | 69 Ų | 69 | 122.4 Ų | 122.4 | 42% | 0.423 | 73% | 0.727 | S | S | . | * | 178.2 | 116.3 | 93.8 | -67.9 | 0 | 0 | 0 | 0 | 114.9 | N810 | T114-N810 PolarHBondContact O-ND2 2.77Å; T114-N810 PolarHBondContact O-OD1 3.34Å | |||
| 115 | I | 28.9 | Very low | 28.6 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | trans | 52.8 | 136 | 138.3 | -44.9 | 173.2 | 0 | 0 | 0 | 123.8 | ||||
| 116 | T | 29.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | 70.3 | 146.2 | 161 | 35 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 117 | R | 27.3 | Very low | 30 | Very low | 221 Ų | 221 | 127.1 Ų | 127.1 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | cis | -135.4 | 170.2 | 3.5 | -110.3 | -175.1 | -169.4 | -179.7 | 2.7 | 111.6 | ||||
| 118 | L | 27.3 | Very low | 31 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | trans | -17.3 | 154.7 | 160.3 | -56.1 | 160.6 | 0 | 0 | 0 | 117.6 | ||||
| 119 | S | 25.4 | Very low | 32.1 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | cis | -158.5 | 156.4 | 29.6 | 55.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 120 | S | 25.3 | Very low | 33.5 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | 45.2 | 86.9 | 144.3 | 63 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 121 | S | 29.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -175.9 | 68.8 | 144.1 | 37.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 122 | S | 28.8 | Very low | 37 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 57% | 0.573 | 65% | 0.654 | S | S | * | * | trans | -159.2 | 94.9 | 178.1 | -82.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 123 | S | 30.6 | Very low | 39.1 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -92.2 | -31.4 | 164.6 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 124 | T | 41.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 71% | 0.712 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -80.4 | -39.9 | -178.2 | 30.9 | 0 | 0 | 0 | 0 | 114.1 | L126 | T124-L126 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.03Å |
| 125 | Y | 35.6 | Very low | 42.7 | Very low | 173 Ų | 173 | 121.3 Ų | 121.3 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71 | -24.7 | -175.5 | -114.7 | -89.8 | 0 | 0 | 0 | 114.6 | H127 | Y125-H127 VanDerWaalsContact C-N 3.33Å; Y125-H127 PolarHBondContact O-N 2.92Å |
| 126 | L | 37.2 | Very low | 44.9 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.5 | -27.9 | -176.1 | -142.1 | 162.1 | 0 | 0 | 0 | 111.9 | T124 R130 | T124-L126 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.03Å; L126-R130 PolarHBondContact O-N 2.79Å |
| 127 | H | 46.2 | Very low | 47 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.7 | -44.8 | 177.9 | -142.3 | -94 | 0 | 0 | 0 | 111.8 | Y125 C129 R130 E131 | Y125-H127 VanDerWaalsContact C-N 3.33Å; Y125-H127 PolarHBondContact O-N 2.92Å; H127-C129 PolarHBondContact O-N 2.88Å; H127-R130 WeakPolarHBondContact O-CB 3.4Å; H127-R130 PolarHBondContact O-N 3.3Å; H127-R130 VanDerWaalsContact O-N 3.12Å; H127-E131 PolarHBondContact O-N 3Å |
| 128 | Q | 44.9 | Very low | 49.4 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 50% | 0.5 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.2 | -42.2 | -177.8 | -164 | 64.4 | 18.4 | 0 | 0 | 112.6 | R130 E131 N132 | Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.49Å; Q128-E131 PolarHBondContact O-N 2.58Å; Q128-N132 WeakPolarHBondContact O-CB 3.25Å; Q128-N132 PolarHBondContact O-N 3.25Å |
| 129 | C | 46.5 | Very low | 51.6 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.2 | -35.6 | 175 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | H127 C133 | H127-C129 PolarHBondContact O-N 2.88Å; C129-C133 VanDerWaalsContact O-CB 3.24Å; C129-C133 WeakPolarHBondContact O-CB 3.23Å; C129-C133 PolarHBondContact O-N 3.22Å |
| 130 | R | 55.1 | Low | 54.2 | Low | 173 Ų | 173 | 115.3 Ų | 115.3 | 65% | 0.653 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.7 | -43.7 | 176.8 | -161.3 | 178.7 | -167.6 | -178.4 | 5.2 | 111.6 | L126 H127 Q128 C133 I134 | L126-R130 PolarHBondContact O-N 2.79Å; H127-R130 WeakPolarHBondContact O-CB 3.4Å; H127-R130 PolarHBondContact O-N 3.3Å; H127-R130 VanDerWaalsContact O-N 3.12Å; Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.49Å; R130-C133 PolarHBondContact O-N 3.37Å; R130-I134 HydrophobicContact CG-CD1 4.38Å; R130-I134 VanDerWaalsContact O-CG1 3.29Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.3Å |
| 131 | E | 59.2 | Low | 56.7 | Low | 70 Ų | 70 | 114.3 Ų | 114.3 | 33% | 0.327 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.8 | -45.4 | 176.6 | -169.4 | 112.4 | -126.8 | 0 | 0 | 111.5 | K86 H127 Q128 C133 I134 R135 | K86-E131 IonicContact NZ-OE1 2.6Å; K86-E131 PolarHBondContact NZ-OE1 3.02Å; H127-E131 PolarHBondContact O-N 3Å; Q128-E131 PolarHBondContact O-N 2.58Å; E131-C133 PolarHBondContact O-N 3.01Å; E131-I134 PolarHBondContact O-N 2.95Å; E131-R135 WeakPolarHBondContact O-CB 3.37Å; E131-R135 PolarHBondContact O-N 3.11Å |
| 132 | N | 67.9 | Low | 59.1 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -39.1 | 175.4 | -79.3 | -16.7 | 0 | 0 | 0 | 112.6 | Q128 R135 M136 | Q128-N132 WeakPolarHBondContact O-CB 3.25Å; Q128-N132 PolarHBondContact O-N 3.25Å; N132-R135 PolarHBondContact O-N 2.98Å; N132-M136 WeakPolarHBondContact O-CB 3.39Å; N132-M136 WeakPolarHBondContact O-CG 3.41Å; N132-M136 PolarHBondContact O-N 3.35Å |
| 133 | C | 67.4 | Low | 61.3 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.2 | -39.7 | 175.5 | -171 | 0 | 0 | 0 | 0 | 112 | C129 R130 E131 K137 | C129-C133 VanDerWaalsContact O-CB 3.24Å; C129-C133 WeakPolarHBondContact O-CB 3.23Å; C129-C133 PolarHBondContact O-N 3.22Å; R130-C133 PolarHBondContact O-N 3.37Å; E131-C133 PolarHBondContact O-N 3.01Å; C133-K137 WeakPolarHBondContact O-CB 3.38Å; C133-K137 PolarHBondContact O-N 2.73Å |
| 134 | I | 72.8 | Confident | 63.6 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 46% | 0.456 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 172 | -70.1 | 164.8 | 0 | 0 | 0 | 110.7 | R130 E131 M136 K137 I138 | R130-I134 HydrophobicContact CG-CD1 4.38Å; R130-I134 VanDerWaalsContact O-CG1 3.29Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.3Å; E131-I134 PolarHBondContact O-N 2.95Å; I134-M136 PolarHBondContact O-N 2.7Å; I134-K137 PolarHBondContact O-N 2.83Å; I134-I138 HydrophobicContact CG2-CD1 3.73Å; I134-I138 HydrophobicContact CG2-CG1 4.4Å; I134-I138 WeakPolarHBondContact O-CG1 3.46Å; I134-I138 PolarHBondContact O-N 3.27Å |
| 135 | R | 70.1 | Confident | 65.3 | Low | 165 Ų | 165 | 112.9 Ų | 112.9 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 178.2 | -171.2 | 173 | -178.9 | 141.1 | -2.6 | 111.8 | E131 N132 K137 I138 L139 | E131-R135 WeakPolarHBondContact O-CB 3.37Å; E131-R135 PolarHBondContact O-N 3.11Å; N132-R135 PolarHBondContact O-N 2.98Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-K137 PolarHBondContact O-N 2.77Å; R135-I138 PolarHBondContact O-N 2.72Å; R135-L139 HydrophobicContact CG-CD1 4.33Å; R135-L139 WeakPolarHBondContact O-CB 3.46Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.31Å |
| 136 | M | 73.8 | Confident | 67.3 | Low | 133 Ų | 133 | 111 Ų | 111 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 174.6 | -76.1 | -66 | -79.2 | 0 | 0 | 112.6 | N132 I134 L139 K140 | N132-M136 WeakPolarHBondContact O-CB 3.39Å; N132-M136 WeakPolarHBondContact O-CG 3.41Å; N132-M136 PolarHBondContact O-N 3.35Å; I134-M136 PolarHBondContact O-N 2.7Å; M136-L139 HydrophobicContact SD-CD1 4.45Å; M136-K140 WeakPolarHBondContact O-CB 3.45Å; M136-K140 PolarHBondContact O-N 3.09Å |
| 137 | K | 74.1 | Confident | 69.5 | Low | 145 Ų | 145 | 109.8 Ų | 109.8 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68 | -43.5 | 176.3 | -165.5 | 164.2 | -173.2 | 170.1 | 0 | 112 | C133 I134 R135 K140 D141 | C133-K137 WeakPolarHBondContact O-CB 3.38Å; C133-K137 PolarHBondContact O-N 2.73Å; I134-K137 PolarHBondContact O-N 2.83Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-K137 PolarHBondContact O-N 2.77Å; K137-K140 PolarHBondContact O-N 3.22Å; K137-D141 WeakPolarHBondContact O-CB 3.37Å; K137-D141 PolarHBondContact O-N 3.21Å |
| 138 | I | 77.4 | Confident | 71.2 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 174 | -68.8 | 167.6 | 0 | 0 | 0 | 110.8 | I134 R135 K140 D141 V142 | I134-I138 HydrophobicContact CG2-CD1 3.73Å; I134-I138 HydrophobicContact CG2-CG1 4.4Å; I134-I138 WeakPolarHBondContact O-CG1 3.46Å; I134-I138 PolarHBondContact O-N 3.27Å; R135-I138 PolarHBondContact O-N 2.72Å; I138-K140 PolarHBondContact O-N 3.07Å; I138-D141 PolarHBondContact O-N 3.5Å; I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 WeakPolarHBondContact O-CB 3.43Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.26Å |
| 139 | L | 75 | Confident | 72.7 | Confident | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.8 | -74.5 | 167.2 | 0 | 0 | 0 | 111.9 | R135 M136 V142 Q143 | R135-L139 HydrophobicContact CG-CD1 4.33Å; R135-L139 WeakPolarHBondContact O-CB 3.46Å; R135-L139 VanDerWaalsContact O-CG 3.31Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.31Å; M136-L139 HydrophobicContact SD-CD1 4.45Å; L139-V142 PolarHBondContact O-N 3.21Å; L139-Q143 WeakPolarHBondContact O-CB 3.42Å; L139-Q143 PolarHBondContact O-N 3.46Å |
| 140 | K | 78.5 | Confident | 74.2 | Confident | 142 Ų | 142 | 108.4 Ų | 108.4 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 178.3 | -163.1 | 165.8 | -172.8 | 170.4 | 0 | 112.4 | M136 K137 I138 Q143 N144 | M136-K140 WeakPolarHBondContact O-CB 3.45Å; M136-K140 PolarHBondContact O-N 3.09Å; K137-K140 PolarHBondContact O-N 3.22Å; I138-K140 PolarHBondContact O-N 3.07Å; K140-Q143 PolarHBondContact O-N 3.46Å; K140-N144 WeakPolarHBondContact O-CB 3.47Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.31Å; K140-N144 PolarHBondContact O-ND2 3.47Å |
| 141 | D | 79 | Confident | 75.5 | Confident | 88 Ų | 88 | 107 Ų | 107 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 174.4 | -76.3 | -23 | 0 | 0 | 0 | 112.2 | K137 I138 N144 Q145 | K137-D141 WeakPolarHBondContact O-CB 3.37Å; K137-D141 PolarHBondContact O-N 3.21Å; I138-D141 PolarHBondContact O-N 3.5Å; D141-N144 PolarHBondContact O-N 3.38Å; D141-Q145 WeakPolarHBondContact O-CB 3.43Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.3Å |
| 142 | V | 79 | Confident | 76.5 | Confident | 42 Ų | 42 | 108 Ų | 108 | 26% | 0.255 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 172.9 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | I138 L139 Q145 Q146 | I138-V142 HydrophobicContact CG2-CG2 4.39Å; I138-V142 WeakPolarHBondContact O-CB 3.43Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.26Å; L139-V142 PolarHBondContact O-N 3.21Å; V142-Q145 WeakPolarHBondContact O-CB 3.31Å; V142-Q145 PolarHBondContact O-N 3.05Å; V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.29Å |
| 143 | Q | 75.3 | Confident | 77.1 | Confident | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 177.8 | -163.7 | 172.3 | 13.5 | 0 | 0 | 111.6 | L139 K140 Q146 N147 | L139-Q143 WeakPolarHBondContact O-CB 3.42Å; L139-Q143 PolarHBondContact O-N 3.46Å; K140-Q143 PolarHBondContact O-N 3.46Å; Q143-Q146 PolarHBondContact O-N 3.32Å; Q143-N147 PolarHBondContact O-N 2.95Å |
| 144 | N | 79.8 | Confident | 77.5 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 171 | -76.9 | -27.3 | 0 | 0 | 0 | 112.4 | K140 D141 K148 | K140-N144 WeakPolarHBondContact O-CB 3.47Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.31Å; K140-N144 PolarHBondContact O-ND2 3.47Å; D141-N144 PolarHBondContact O-N 3.38Å; N144-K148 WeakPolarHBondContact O-CB 3.41Å; N144-K148 PolarHBondContact O-N 2.86Å |
| 145 | Q | 76.7 | Confident | 77.9 | Confident | 142 Ų | 142 | 107.6 Ų | 107.6 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 174 | -67.8 | -111 | -25.1 | 0 | 0 | 111.7 | D141 V142 K148 L149 | D141-Q145 WeakPolarHBondContact O-CB 3.43Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.3Å; V142-Q145 WeakPolarHBondContact O-CB 3.31Å; V142-Q145 PolarHBondContact O-N 3.05Å; Q145-K148 PolarHBondContact O-N 3.42Å; Q145-L149 VanDerWaalsContact O-CB 3.32Å; Q145-L149 WeakPolarHBondContact O-CB 3.46Å; Q145-L149 PolarHBondContact O-N 2.9Å |
| 146 | Q | 78.5 | Confident | 78.3 | Confident | 133 Ų | 133 | 103.7 Ų | 103.7 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 178.9 | -176.4 | 165.4 | -24.6 | 0 | 0 | 112 | V142 Q143 L149 S150 | V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.29Å; Q143-Q146 PolarHBondContact O-N 3.32Å; Q146-L149 PolarHBondContact O-N 3.17Å; Q146-S150 WeakPolarHBondContact O-CB 3.38Å; Q146-S150 PolarHBondContact O-N 2.92Å |
| 147 | N | 82.4 | Confident | 78.7 | Confident | 99 Ų | 99 | 104.2 Ų | 104.2 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.6 | -72.3 | -13.3 | 0 | 0 | 0 | 111.3 | Q143 L149 S150 Q151 | Q143-N147 PolarHBondContact O-N 2.95Å; N147-L149 PolarHBondContact O-N 3.09Å; N147-S150 WeakPolarHBondContact O-CB 3.27Å; N147-S150 PolarHBondContact O-N 2.68Å; N147-Q151 PolarHBondContact O-N 3.32Å |
| 148 | K | 81.2 | Confident | 79 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 176.3 | -177 | 167.4 | -178.9 | 167.7 | 0 | 112.6 | N144 Q145 S150 Q151 E152 | N144-K148 WeakPolarHBondContact O-CB 3.41Å; N144-K148 PolarHBondContact O-N 2.86Å; Q145-K148 PolarHBondContact O-N 3.42Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.44Å; K148-Q151 WeakPolarHBondContact O-CB 3.5Å; K148-Q151 PolarHBondContact O-N 2.83Å; K148-E152 WeakPolarHBondContact CE-OE1 3.38Å; K148-E152 WeakPolarHBondContact O-CG 3.43Å; K148-E152 PolarHBondContact O-N 3.22Å |
| 149 | L | 78.1 | Confident | 79.1 | Confident | 87 Ų | 87 | 102.4 Ų | 102.4 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -36 | 175.7 | -172.1 | 67.8 | 0 | 0 | 0 | 111.6 | Q145 Q146 N147 E152 V153 | Q145-L149 VanDerWaalsContact O-CB 3.32Å; Q145-L149 WeakPolarHBondContact O-CB 3.46Å; Q145-L149 PolarHBondContact O-N 2.9Å; Q146-L149 PolarHBondContact O-N 3.17Å; N147-L149 PolarHBondContact O-N 3.09Å; L149-E152 PolarHBondContact O-N 3.18Å; L149-V153 WeakPolarHBondContact O-CB 3.06Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.22Å; L149-V153 PolarHBondContact O-N 3.45Å |
| 150 | S | 76.6 | Confident | 79.4 | Confident | 72 Ų | 72 | 102.5 Ų | 102.5 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.5 | -166.2 | 0 | 0 | 0 | 0 | 112 | Q146 N147 K148 V153 S154 | Q146-S150 WeakPolarHBondContact O-CB 3.38Å; Q146-S150 PolarHBondContact O-N 2.92Å; N147-S150 WeakPolarHBondContact O-CB 3.27Å; N147-S150 PolarHBondContact O-N 2.68Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.44Å; S150-V153 PolarHBondContact O-N 3.13Å; S150-S154 WeakPolarHBondContact O-CB 3.45Å; S150-S154 PolarHBondContact O-N 2.82Å; S150-S154 PolarHBondContact O-OG 2.78Å |
| 151 | Q | 82.2 | Confident | 79.5 | Confident | 143 Ų | 143 | 100.7 Ų | 100.7 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -46.9 | 174.5 | -165.5 | -178.6 | 20.4 | 0 | 0 | 111.7 | N147 K148 V153 S154 Q155 | N147-Q151 PolarHBondContact O-N 3.32Å; K148-Q151 WeakPolarHBondContact O-CB 3.5Å; K148-Q151 PolarHBondContact O-N 2.83Å; Q151-V153 PolarHBondContact O-N 3.44Å; Q151-S154 PolarHBondContact O-N 3.43Å; Q151-S154 VanDerWaalsContact O-N 3.16Å; Q151-Q155 PolarHBondContact O-N 3.39Å |
| 152 | E | 81.9 | Confident | 79.6 | Confident | 92 Ų | 92 | 101.4 Ų | 101.4 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.1 | -73 | -179.7 | -162.5 | 0 | 0 | 112.2 | K148 L149 S154 L156 | K148-E152 WeakPolarHBondContact CE-OE1 3.38Å; K148-E152 WeakPolarHBondContact O-CG 3.43Å; K148-E152 PolarHBondContact O-N 3.22Å; L149-E152 PolarHBondContact O-N 3.18Å; E152-S154 VanDerWaalsContact C-N 3.34Å; E152-L156 WeakPolarHBondContact O-CB 3.2Å; E152-L156 WeakPolarHBondContact O-CG 3.42Å; E152-L156 PolarHBondContact O-N 3.02Å |
| 153 | V | 80 | Confident | 79.8 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 173.3 | 165.5 | 0 | 0 | 0 | 0 | 111.6 | L149 S150 Q151 L156 K157 | L149-V153 WeakPolarHBondContact O-CB 3.06Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.22Å; L149-V153 PolarHBondContact O-N 3.45Å; S150-V153 PolarHBondContact O-N 3.13Å; Q151-V153 PolarHBondContact O-N 3.44Å; V153-L156 PolarHBondContact O-N 3.35Å; V153-K157 WeakPolarHBondContact O-CG 3.31Å; V153-K157 PolarHBondContact O-N 3.33Å |
| 154 | S | 75.3 | Confident | 80 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | S150 Q151 E152 L156 K157 Q158 | S150-S154 WeakPolarHBondContact O-CB 3.45Å; S150-S154 PolarHBondContact O-N 2.82Å; S150-S154 PolarHBondContact O-OG 2.78Å; Q151-S154 PolarHBondContact O-N 3.43Å; Q151-S154 VanDerWaalsContact O-N 3.16Å; E152-S154 VanDerWaalsContact C-N 3.34Å; S154-L156 VanDerWaalsContact C-N 3.31Å; S154-L156 PolarHBondContact O-N 2.82Å; S154-K157 WeakPolarHBondContact O-CB 3.34Å; S154-K157 PolarHBondContact O-N 3.5Å; S154-K157 VanDerWaalsContact O-N 3.11Å; S154-Q158 PolarHBondContact O-N 2.79Å |
| 155 | Q | 80.8 | Confident | 80.1 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -36.4 | 172 | -164.1 | 174.7 | 43.8 | 0 | 0 | 111.9 | Q151 K157 Q158 Q159 | Q151-Q155 PolarHBondContact O-N 3.39Å; Q155-K157 VanDerWaalsContact C-N 3.35Å; Q155-Q158 PolarHBondContact O-N 3.38Å; Q155-Q159 PolarHBondContact O-N 3.27Å |
| 156 | L | 79.5 | Confident | 80.3 | Confident | 82 Ų | 82 | 99.1 Ų | 99.1 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -25.2 | 172.3 | -85.4 | 165.8 | 0 | 0 | 0 | 114.2 | E152 V153 S154 F160 | E152-L156 WeakPolarHBondContact O-CB 3.2Å; E152-L156 WeakPolarHBondContact O-CG 3.42Å; E152-L156 PolarHBondContact O-N 3.02Å; V153-L156 PolarHBondContact O-N 3.35Å; S154-L156 VanDerWaalsContact C-N 3.31Å; S154-L156 PolarHBondContact O-N 2.82Å; L156-F160 WeakPolarHBondContact O-CB 3.34Å; L156-F160 PolarHBondContact O-N 3.16Å |
| 157 | K | 81.1 | Confident | 80.4 | Confident | 144 Ų | 144 | 96.9 Ų | 96.9 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71 | -47.4 | 167.7 | -74.1 | 176.2 | 178.6 | 179.5 | 0 | 110.2 | V153 S154 Q155 Q159 F160 L161 | V153-K157 WeakPolarHBondContact O-CG 3.31Å; V153-K157 PolarHBondContact O-N 3.33Å; S154-K157 WeakPolarHBondContact O-CB 3.34Å; S154-K157 PolarHBondContact O-N 3.5Å; S154-K157 VanDerWaalsContact O-N 3.11Å; Q155-K157 VanDerWaalsContact C-N 3.35Å; K157-Q159 PolarHBondContact O-N 2.87Å; K157-F160 WeakPolarHBondContact O-CB 3.38Å; K157-F160 PolarHBondContact O-N 2.92Å; K157-F160 VanDerWaalsContact O-N 3.07Å; K157-L161 PolarHBondContact O-N 3.41Å |
| 158 | Q | 81.3 | Confident | 80.3 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 178.9 | -165 | 67.7 | 9.1 | 0 | 0 | 111.5 | S154 Q155 F160 L161 E162 | S154-Q158 PolarHBondContact O-N 2.79Å; Q155-Q158 PolarHBondContact O-N 3.38Å; Q158-F160 VanDerWaalsContact C-N 3.26Å; Q158-F160 PolarHBondContact O-N 2.88Å; Q158-L161 WeakPolarHBondContact O-CA 3.46Å; Q158-L161 WeakPolarHBondContact O-CB 3.36Å; Q158-L161 PolarHBondContact O-N 2.79Å; Q158-E162 PolarHBondContact O-N 3.2Å |
| 159 | Q | 79.7 | Confident | 80.1 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -29.9 | 174.9 | -73.7 | -173.2 | -12.4 | 0 | 0 | 113.3 | Q155 K157 I163 | Q155-Q159 PolarHBondContact O-N 3.27Å; K157-Q159 PolarHBondContact O-N 2.87Å; Q159-I163 WeakPolarHBondContact O-CB 3.48Å; Q159-I163 WeakPolarHBondContact O-CD1 3.31Å; Q159-I163 WeakPolarHBondContact O-CG1 3.49Å; Q159-I163 PolarHBondContact O-N 3.44Å |
| 160 | F | 80.6 | Confident | 80.2 | Confident | 100 Ų | 100 | 92.2 Ų | 92.2 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 173.2 | -174 | -102.7 | 0 | 0 | 0 | 111.6 | L156 K157 Q158 I163 Q164 | L156-F160 WeakPolarHBondContact O-CB 3.34Å; L156-F160 PolarHBondContact O-N 3.16Å; K157-F160 WeakPolarHBondContact O-CB 3.38Å; K157-F160 PolarHBondContact O-N 2.92Å; K157-F160 VanDerWaalsContact O-N 3.07Å; Q158-F160 VanDerWaalsContact C-N 3.26Å; Q158-F160 PolarHBondContact O-N 2.88Å; F160-I163 PolarHBondContact O-N 3.41Å; F160-Q164 HydrophobicContact CD1-CG 4.25Å; F160-Q164 HydrophobicContact CE1-CG 3.98Å; F160-Q164 HydrophobicContact CZ-CG 4.32Å; F160-Q164 VanDerWaalsContact CZ-NE2 3.28Å; F160-Q164 VanDerWaalsContact O-CG 3.31Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.07Å |
| 161 | L | 80.2 | Confident | 80.2 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | 175.6 | -161.3 | 69.8 | 0 | 0 | 0 | 111.7 | K157 Q158 I163 Q164 T165 | K157-L161 PolarHBondContact O-N 3.41Å; Q158-L161 WeakPolarHBondContact O-CA 3.46Å; Q158-L161 WeakPolarHBondContact O-CB 3.36Å; Q158-L161 PolarHBondContact O-N 2.79Å; L161-I163 PolarHBondContact O-N 3.45Å; L161-Q164 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-N 3.23Å; L161-T165 PolarHBondContact O-OG1 3.45Å |
| 162 | E | 82.5 | Confident | 79.9 | Confident | 103 Ų | 103 | 91.7 Ų | 91.7 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 170.1 | -71.7 | 166.5 | -159.8 | 0 | 0 | 111.4 | Q158 Q164 T165 V166 | Q158-E162 PolarHBondContact O-N 3.2Å; E162-Q164 VanDerWaalsContact C-N 3.32Å; E162-Q164 PolarHBondContact O-N 3.36Å; E162-T165 PolarHBondContact O-N 3.03Å; E162-V166 WeakPolarHBondContact O-CB 2.98Å; E162-V166 WeakPolarHBondContact O-CG2 3.47Å; E162-V166 PolarHBondContact O-N 3.05Å |
| 163 | I | 83.1 | Confident | 79.6 | Confident | 94 Ų | 94 | 91.6 Ų | 91.6 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 177 | -72.1 | 166.2 | 0 | 0 | 0 | 111.7 | Q159 F160 L161 L167 | Q159-I163 WeakPolarHBondContact O-CB 3.48Å; Q159-I163 WeakPolarHBondContact O-CD1 3.31Å; Q159-I163 WeakPolarHBondContact O-CG1 3.49Å; Q159-I163 PolarHBondContact O-N 3.44Å; F160-I163 PolarHBondContact O-N 3.41Å; L161-I163 PolarHBondContact O-N 3.45Å; I163-L167 HydrophobicContact CG2-CD1 4Å; I163-L167 HydrophobicContact CG2-CG 4.46Å; I163-L167 VanDerWaalsContact O-CB 3.31Å; I163-L167 WeakPolarHBondContact O-CB 3.34Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.38Å; I163-L167 PolarHBondContact O-N 2.94Å |
| 164 | Q | 77.7 | Confident | 79.2 | Confident | 79 Ų | 79 | 93.6 Ų | 93.6 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 171.7 | -72.4 | -66.9 | -8.6 | 0 | 0 | 111.5 | F160 L161 E162 V166 L167 V168 | F160-Q164 HydrophobicContact CD1-CG 4.25Å; F160-Q164 HydrophobicContact CE1-CG 3.98Å; F160-Q164 HydrophobicContact CZ-CG 4.32Å; F160-Q164 VanDerWaalsContact CZ-NE2 3.28Å; F160-Q164 VanDerWaalsContact O-CG 3.31Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.07Å; L161-Q164 PolarHBondContact O-N 2.83Å; E162-Q164 VanDerWaalsContact C-N 3.32Å; E162-Q164 PolarHBondContact O-N 3.36Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.42Å; Q164-L167 PolarHBondContact O-N 3.24Å; Q164-L167 VanDerWaalsContact O-N 3.15Å; Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 2.88Å |
| 165 | T | 81.9 | Confident | 79.1 | Confident | 91 Ų | 91 | 94.5 Ų | 94.5 | 56% | 0.558 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.7 | -40 | 177.4 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | L161 E162 S169 | L161-T165 PolarHBondContact O-N 3.23Å; L161-T165 PolarHBondContact O-OG1 3.45Å; E162-T165 PolarHBondContact O-N 3.03Å; T165-S169 VanDerWaalsContact O-CB 3.26Å; T165-S169 WeakPolarHBondContact O-CB 3.43Å; T165-S169 PolarHBondContact O-N 3.09Å |
| 166 | V | 82.2 | Confident | 78.2 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69 | -36.8 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | E162 Q164 S169 I170 | E162-V166 WeakPolarHBondContact O-CB 2.98Å; E162-V166 WeakPolarHBondContact O-CG2 3.47Å; E162-V166 PolarHBondContact O-N 3.05Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.42Å; V166-S169 PolarHBondContact O-N 3.22Å; V166-I170 HydrophobicContact CG1-CD1 3.78Å; V166-I170 HydrophobicContact CG1-CG1 4.41Å; V166-I170 WeakPolarHBondContact O-CB 3.43Å; V166-I170 VanDerWaalsContact O-CG1 3.22Å; V166-I170 WeakPolarHBondContact O-CG1 3.21Å; V166-I170 PolarHBondContact O-N 2.89Å |
| 167 | L | 80.2 | Confident | 77.1 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.1 | -81.2 | 168.3 | 0 | 0 | 0 | 112.2 | I163 Q164 S169 I170 Q171 | I163-L167 HydrophobicContact CG2-CD1 4Å; I163-L167 HydrophobicContact CG2-CG 4.46Å; I163-L167 VanDerWaalsContact O-CB 3.31Å; I163-L167 WeakPolarHBondContact O-CB 3.34Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.38Å; I163-L167 PolarHBondContact O-N 2.94Å; Q164-L167 PolarHBondContact O-N 3.24Å; Q164-L167 VanDerWaalsContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.35Å; L167-I170 PolarHBondContact O-N 3.24Å; L167-Q171 VanDerWaalsContact O-CB 3.25Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.19Å |
| 168 | V | 80.2 | Confident | 75.7 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | Q164 Q171 N172 | Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 2.88Å; V168-Q171 PolarHBondContact O-N 2.92Å; V168-N172 WeakPolarHBondContact O-CB 3.43Å; V168-N172 VanDerWaalsContact O-CG 3.24Å; V168-N172 PolarHBondContact O-N 2.88Å; V168-N172 PolarHBondContact O-OD1 3.14Å |
| 169 | S | 77.2 | Confident | 74 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 173 | -177 | 0 | 0 | 0 | 0 | 112 | T165 V166 L167 Q171 N172 I173 | T165-S169 VanDerWaalsContact O-CB 3.26Å; T165-S169 WeakPolarHBondContact O-CB 3.43Å; T165-S169 PolarHBondContact O-N 3.09Å; V166-S169 PolarHBondContact O-N 3.22Å; L167-S169 VanDerWaalsContact C-N 3.35Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 2.79Å; S169-N172 PolarHBondContact O-N 3.28Å; S169-I173 WeakPolarHBondContact O-CB 3.48Å; S169-I173 WeakPolarHBondContact O-CD1 3.47Å; S169-I173 WeakPolarHBondContact O-CG1 3.47Å; S169-I173 PolarHBondContact O-N 3.34Å |
| 170 | I | 81.3 | Confident | 72.2 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 43% | 0.431 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 174.1 | -73 | 166.9 | 0 | 0 | 0 | 111.3 | V166 L167 I173 L174 | V166-I170 HydrophobicContact CG1-CD1 3.78Å; V166-I170 HydrophobicContact CG1-CG1 4.41Å; V166-I170 WeakPolarHBondContact O-CB 3.43Å; V166-I170 VanDerWaalsContact O-CG1 3.22Å; V166-I170 WeakPolarHBondContact O-CG1 3.21Å; V166-I170 PolarHBondContact O-N 2.89Å; L167-I170 PolarHBondContact O-N 3.24Å; I170-I173 PolarHBondContact O-N 2.81Å; I170-L174 HydrophobicContact CG2-CD1 4Å; I170-L174 WeakPolarHBondContact O-CB 3.5Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3.22Å |
| 171 | Q | 76.6 | Confident | 70.1 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 176.1 | -176.2 | 167.4 | -23.5 | 0 | 0 | 111.1 | L167 V168 S169 L174 I175 | L167-Q171 VanDerWaalsContact O-CB 3.25Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.19Å; V168-Q171 PolarHBondContact O-N 2.92Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 2.79Å; Q171-L174 PolarHBondContact O-N 3.25Å; Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.41Å; Q171-I175 VanDerWaalsContact O-CG1 3.24Å; Q171-I175 WeakPolarHBondContact O-CG1 3.34Å; Q171-I175 PolarHBondContact O-N 3.13Å |
| 172 | N | 74.2 | Confident | 68 | Low | 83 Ų | 83 | 100.9 Ų | 100.9 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 173.2 | -70.2 | -6.8 | 0 | 0 | 0 | 111.9 | V168 S169 L174 I175 N176 | V168-N172 WeakPolarHBondContact O-CB 3.43Å; V168-N172 VanDerWaalsContact O-CG 3.24Å; V168-N172 PolarHBondContact O-N 2.88Å; V168-N172 PolarHBondContact O-OD1 3.14Å; S169-N172 PolarHBondContact O-N 3.28Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-I175 PolarHBondContact O-N 3.25Å; N172-N176 WeakPolarHBondContact O-CB 3.36Å; N172-N176 PolarHBondContact O-N 3.41Å; N172-N176 PolarHBondContact O-ND2 3.41Å; N172-N176 PolarHBondContact O-OD1 3.24Å |
| 173 | I | 76.7 | Confident | 65.4 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.6 | -32.7 | 172.8 | -70.5 | 163.3 | 0 | 0 | 0 | 111.2 | S169 I170 R177 | S169-I173 WeakPolarHBondContact O-CB 3.48Å; S169-I173 WeakPolarHBondContact O-CD1 3.47Å; S169-I173 WeakPolarHBondContact O-CG1 3.47Å; S169-I173 PolarHBondContact O-N 3.34Å; I170-I173 PolarHBondContact O-N 2.81Å; I173-R177 VanDerWaalsContact O-CB 3.25Å; I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 WeakPolarHBondContact O-CG 3.43Å; I173-R177 PolarHBondContact O-N 2.93Å |
| 174 | L | 70.5 | Confident | 62.7 | Low | 98 Ų | 98 | 101.7 Ų | 101.7 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.5 | -43.1 | 173.1 | -84.1 | 164.6 | 0 | 0 | 0 | 112 | I170 Q171 N172 R177 I178 | I170-L174 HydrophobicContact CG2-CD1 4Å; I170-L174 WeakPolarHBondContact O-CB 3.5Å; I170-L174 WeakPolarHBondContact O-CG 3.42Å; I170-L174 PolarHBondContact O-N 3.22Å; Q171-L174 PolarHBondContact O-N 3.25Å; N172-L174 VanDerWaalsContact C-N 3.34Å; L174-R177 CarbonylContact O-C 3.59Å; L174-R177 PolarHBondContact O-N 2.83Å; L174-I178 WeakPolarHBondContact O-CB 3.2Å; L174-I178 VanDerWaalsContact O-CG1 3.26Å; L174-I178 WeakPolarHBondContact O-CG1 3.49Å; L174-I178 PolarHBondContact O-N 2.88Å |
| 175 | I | 74.1 | Confident | 60.6 | Low | 79 Ų | 79 | 104 Ų | 104 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.5 | -49 | 172.5 | -71.5 | 163 | 0 | 0 | 0 | 109.6 | Q171 N172 R177 I178 H179 | Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.41Å; Q171-I175 VanDerWaalsContact O-CG1 3.24Å; Q171-I175 WeakPolarHBondContact O-CG1 3.34Å; Q171-I175 PolarHBondContact O-N 3.13Å; N172-I175 PolarHBondContact O-N 3.25Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 3.23Å; I175-I178 PolarHBondContact O-N 3Å; I175-H179 PolarHBondContact O-N 3.39Å |
| 176 | N | 61.5 | Low | 58.3 | Low | 94 Ų | 94 | 106.6 Ų | 106.6 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -31.2 | 176.5 | -68.9 | -6.8 | 0 | 0 | 0 | 112.4 | N172 H179 L180 | N172-N176 WeakPolarHBondContact O-CB 3.36Å; N172-N176 PolarHBondContact O-N 3.41Å; N172-N176 PolarHBondContact O-ND2 3.41Å; N172-N176 PolarHBondContact O-OD1 3.24Å; N176-H179 PolarHBondContact O-N 2.98Å; N176-L180 VanDerWaalsContact O-CB 3.22Å; N176-L180 WeakPolarHBondContact O-CB 3.47Å; N176-L180 WeakPolarHBondContact O-CD1 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.22Å; N176-L180 PolarHBondContact O-N 2.79Å |
| 177 | R | 55.9 | Low | 55.9 | Low | 161 Ų | 161 | 108.6 Ų | 108.6 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73 | -34.3 | 171.3 | -90.6 | -172.9 | 163.9 | 171.3 | -4 | 113.4 | I173 L174 I175 H179 L180 Q181 | I173-R177 VanDerWaalsContact O-CB 3.25Å; I173-R177 WeakPolarHBondContact O-CB 3.43Å; I173-R177 WeakPolarHBondContact O-CG 3.43Å; I173-R177 PolarHBondContact O-N 2.93Å; L174-R177 CarbonylContact O-C 3.59Å; L174-R177 PolarHBondContact O-N 2.83Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 3.23Å; R177-H179 VanDerWaalsContact C-N 3.31Å; R177-L180 PolarHBondContact O-N 2.81Å; R177-Q181 VanDerWaalsContact O-CB 3.31Å; R177-Q181 WeakPolarHBondContact O-CB 3.22Å; R177-Q181 WeakPolarHBondContact O-CG 3.49Å; R177-Q181 PolarHBondContact O-N 2.98Å |
| 178 | I | 53 | Low | 53.6 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 60% | 0.595 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.8 | -39 | 172.3 | -69.8 | 162.3 | 0 | 0 | 0 | 109.2 | L174 I175 S182 | L174-I178 WeakPolarHBondContact O-CB 3.2Å; L174-I178 VanDerWaalsContact O-CG1 3.26Å; L174-I178 WeakPolarHBondContact O-CG1 3.49Å; L174-I178 PolarHBondContact O-N 2.88Å; I175-I178 PolarHBondContact O-N 3Å; I178-S182 PolarHBondContact O-N 2.81Å; I178-S182 PolarHBondContact O-OG 3.1Å |
| 179 | H | 44.5 | Very low | 51.4 | Low | 138 Ų | 138 | 112 Ų | 112 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.9 | -40.3 | 170.3 | -112.2 | -74.4 | 0 | 0 | 0 | 113.5 | I175 N176 R177 S182 | I175-H179 PolarHBondContact O-N 3.39Å; N176-H179 PolarHBondContact O-N 2.98Å; R177-H179 VanDerWaalsContact C-N 3.31Å; H179-S182 WeakPolarHBondContact O-CB 3.28Å; H179-S182 PolarHBondContact O-N 3.49Å |
| 180 | L | 41.4 | Very low | 49.3 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -85.8 | -13.4 | -177.8 | -72.3 | 166.5 | 0 | 0 | 0 | 114.7 | N176 R177 S182 | N176-L180 VanDerWaalsContact O-CB 3.22Å; N176-L180 WeakPolarHBondContact O-CB 3.47Å; N176-L180 WeakPolarHBondContact O-CD1 3.27Å; N176-L180 WeakPolarHBondContact O-CG 3.22Å; N176-L180 PolarHBondContact O-N 2.79Å; R177-L180 PolarHBondContact O-N 2.81Å; L180-S182 VanDerWaalsContact C-N 3.33Å |
| 181 | Q | 38.1 | Very low | 47 | Very low | 164 Ų | 164 | 115.2 Ų | 115.2 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 5.5 | 165.6 | -65.7 | -167 | -99.1 | 0 | 0 | 112.3 | R177 S183 | R177-Q181 VanDerWaalsContact O-CB 3.31Å; R177-Q181 WeakPolarHBondContact O-CB 3.22Å; R177-Q181 WeakPolarHBondContact O-CG 3.49Å; R177-Q181 PolarHBondContact O-N 2.98Å; Q181-S183 VanDerWaalsContact C-N 3.33Å |
| 182 | S | 35.8 | Very low | 44.7 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -97.6 | 28.4 | 168.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | I178 H179 L180 | I178-S182 PolarHBondContact O-N 2.81Å; I178-S182 PolarHBondContact O-OG 3.1Å; H179-S182 WeakPolarHBondContact O-CB 3.28Å; H179-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact C-N 3.33Å |
| 183 | S | 27.4 | Very low | 43 | Very low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -148.9 | 147.6 | -177.2 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | Q181 | Q181-S183 VanDerWaalsContact C-N 3.33Š|
| 184 | C | 25.9 | Very low | 40.8 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 91% | 0.905 | 69% | 0.692 | S | S | * | * | trans | 70.8 | 65.5 | 179.6 | -58 | 0 | 0 | 0 | 0 | 117 | ||||
| 185 | T | 33.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | trans | -126.3 | 139 | 143.5 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 186 | T | 34 | Very low | 37 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | trans | 60.2 | 130.5 | 173.7 | 41 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 187 | T | 31.8 | Very low | 35.6 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 144.9 | 178.1 | 42.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 188 | T | 32.7 | Very low | 34.4 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 39.6 | 132.6 | 143.4 | 57.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 189 | S | 33.1 | Very low | 33.3 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -179.4 | 127.3 | -20.2 | 34.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 190 | S | 32.7 | Very low | 32.5 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 57% | 0.573 | 76% | 0.76 | S | S | * | * | trans | -171.8 | 138.4 | 130.1 | 22.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 191 | T | 34.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 26.9 | 106.4 | 159.7 | -41.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 192 | Y | 28.4 | Very low | 31.2 | Very low | 213 Ų | 213 | 134.1 Ų | 134.1 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -67.9 | 158.6 | 165 | -94.5 | -88.6 | 0 | 0 | 0 | 112.7 | ||||
| 193 | P | 37.3 | Very low | 30.7 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | -152.2 | 163 | 68.4 | 41.6 | -21.2 | 0 | 0 | 0 | 120.8 | |||||
| 194 | H | 31.1 | Very low | 30.8 | Very low | 179 Ų | 179 | 142 Ų | 142 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 59.9 | 120.7 | 159.8 | -73.7 | -63.4 | 0 | 0 | 0 | 121.9 | ||||
| 195 | P | 34.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -99.5 | 142.2 | 168.7 | 36.9 | -30.8 | 0 | 0 | 0 | 113.6 | ||||
| 196 | L | 30.1 | Very low | 30.8 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -140.9 | 117.6 | 156.3 | -83.2 | 176.6 | 0 | 0 | 0 | 108.9 | ||||
| 197 | N | 32.3 | Very low | 30.8 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | -158.8 | 147 | 150.6 | -137.3 | -30.1 | 0 | 0 | 0 | 112 | ||||
| 198 | S | 29.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -144.7 | 114.2 | -171.7 | 57.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 199 | S | 30.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -164.2 | 122.9 | 152.3 | -83.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 200 | I | 28.6 | Very low | 30.8 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 68% | 0.677 | 76% | 0.764 | S | S | * | * | 65 | 116.2 | 74 | -59.4 | 162.8 | 0 | 0 | 0 | 108.7 | |||||
| 201 | Y | 27.3 | Very low | 30.6 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | cis | -125 | 137.5 | 41.4 | -82.1 | -89.3 | 0 | 0 | 0 | 117.4 | ||||
| 202 | L | 23.9 | Very low | 30.4 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -93.7 | 148.7 | 135.9 | -82.1 | 163.5 | 0 | 0 | 0 | 107.9 | ||||
| 203 | Y | 26 | Very low | 30.4 | Very low | 219 Ų | 219 | 146.1 Ų | 146.1 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -146.2 | 161 | 144.2 | -136 | -93.2 | 0 | 0 | 0 | 112.4 | ||||
| 204 | N | 28.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | trans | -150.4 | 138.6 | -151.2 | -159.1 | -17.9 | 0 | 0 | 0 | 111.9 | ||||
| 205 | N | 27.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | trans | 57.6 | 124.5 | 164 | -95.9 | -94.4 | 0 | 0 | 0 | 120.9 | ||||
| 206 | K | 32.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 73.1 | 114.2 | 144.5 | -62.9 | 164.4 | -178.4 | 161.7 | 0 | 120.8 | ||||
| 207 | N | 33.6 | Very low | 31.2 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 17.5 | 131.3 | 125.6 | -53.8 | 49.3 | 0 | 0 | 0 | 118.3 | |||||
| 208 | N | 32.3 | Very low | 31.1 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | cis | -155 | 165.2 | 5.3 | -96.9 | 5.9 | 0 | 0 | 0 | 110.7 | ||||
| 209 | M | 29.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 86% | 0.862 | 75% | 0.745 | S | S | * | * | trans | -60.1 | 173.3 | 172.4 | -75.9 | -68.3 | -172.5 | 0 | 0 | 115.9 | ||||
| 210 | P | 35.7 | Very low | 31.3 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | -138 | 171.9 | -8.3 | 27.7 | -4 | 0 | 0 | 0 | 117.7 | ||||
| 211 | I | 28.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 48.4 | 136.9 | 136.6 | -64.7 | 172 | 0 | 0 | 0 | 119.6 | ||||
| 212 | F | 30.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | cis | -139.1 | -171.1 | 7.5 | -108.6 | -27 | 0 | 0 | 0 | 108.9 | ||||
| 213 | S | 27.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | cis | 76 | 158.8 | 25.3 | -39.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 214 | P | 43 | Very low | 32.4 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | cis | -108.3 | -141.7 | 8.9 | 25.9 | -0.7 | 0 | 0 | 0 | 112.4 | ||||
| 215 | T | 31.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -160.1 | 122.2 | 10.3 | -21.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 216 | T | 33.2 | Very low | 32.2 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 153.3 | 143.5 | 50.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 217 | P | 41.9 | Very low | 31.9 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -132 | -165.3 | -155.2 | 44.7 | -26.5 | 0 | 0 | 0 | 115.6 | ||||
| 218 | L | 31.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | 179.7 | 150.3 | 143.7 | -96.5 | 156.9 | 0 | 0 | 0 | 115 | ||||
| 219 | I | 33.6 | Very low | 31.3 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 68% | 0.677 | 74% | 0.736 | S | S | * | * | trans | 75.3 | 108.5 | 145.2 | -75.8 | 166.7 | 0 | 0 | 0 | 123.8 | ||||
| 220 | N | 29.6 | Very low | 31.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | 60 | 138.3 | 126.1 | -51.7 | 1.6 | 0 | 0 | 0 | 126.4 | |||||
| 221 | T | 28.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | 58.4 | 147.7 | 138.3 | 52.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 222 | E | 30.3 | Very low | 31 | Very low | 175 Ų | 175 | 124.6 Ų | 124.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | cis | -154.3 | 172.1 | 8.8 | -137.5 | 155.7 | -129.6 | 0 | 0 | 111.3 | ||||
| 223 | L | 35.1 | Very low | 31 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | -91.3 | 148.5 | 162.1 | -95.5 | 90 | 0 | 0 | 0 | 109.5 | ||||
| 224 | P | 35.1 | Very low | 31.2 | Very low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | -141.7 | 158.7 | 107.1 | 35.5 | -21 | 0 | 0 | 0 | 116.9 | |||||
| 225 | T | 26.5 | Very low | 30.5 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | trans | -48.5 | 169.7 | 166.5 | 52.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 226 | I | 26.2 | Very low | 30.3 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | 75 | 146.2 | 144.5 | -81.7 | 158.1 | 0 | 0 | 0 | 116 | ||||
| 227 | D | 25.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | cis | -170.7 | -169.4 | -25.7 | -163 | -5.4 | 0 | 0 | 0 | 106.3 | ||||
| 228 | I | 27.4 | Very low | 29.5 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 45.1 | 101.1 | 150 | -64.4 | 154.5 | 0 | 0 | 0 | 114.8 | ||||
| 229 | G | 27.9 | Very low | 29.4 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | cis | 80.5 | 119 | 29.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 230 | S | 29.5 | Very low | 29.1 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -168.7 | 112.7 | 166.5 | -81 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 231 | A | 29.9 | Very low | 29 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | cis | 68.3 | 174.5 | 27.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 232 | S | 26.6 | Very low | 28.9 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | 76.4 | 140.4 | -154.7 | -33.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 233 | F | 31.1 | Very low | 28.8 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | cis | -141.9 | 163.2 | 13.9 | -68.9 | -85.7 | 0 | 0 | 0 | 109.3 | ||||
| 234 | S | 31.4 | Very low | 28.7 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | cis | -157.9 | 154.1 | -0.4 | -122.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 235 | L | 28.5 | Very low | 28.8 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | 12.8 | 123.8 | 152.6 | -76 | 78.8 | 0 | 0 | 0 | 122.2 | ||||
| 236 | N | 27.2 | Very low | 28.7 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | 38.2 | 116.5 | 96.8 | -79.5 | -5.3 | 0 | 0 | 0 | 121.1 | |||||
| 237 | N | 28.6 | Very low | 29.1 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | 92.7 | 152 | 121.2 | -146.8 | 9 | 0 | 0 | 0 | 121 | |||||
| 238 | V | 29 | Very low | 29 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | trans | 73.1 | 106.3 | 164.9 | -179.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 239 | H | 30.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | 68.4 | 160 | 149 | -87.2 | 59.1 | 0 | 0 | 0 | 120.2 | ||||
| 240 | N | 26.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 43 | 103.5 | 149.9 | -68.6 | -15.8 | 0 | 0 | 0 | 116.7 | ||||
| 241 | T | 28.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | cis | -150.6 | 147 | 35.2 | 37.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 242 | K | 26.3 | Very low | 29.5 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 74% | 0.735 | 73% | 0.725 | S | S | * | * | 55.3 | 111.3 | 71.2 | -122.7 | -169.8 | 156.4 | -167.7 | 0 | 107.3 | |||||
| 243 | I | 27.4 | Very low | 29.7 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | 159.5 | 141.8 | 85.6 | -91.8 | 153.6 | 0 | 0 | 0 | 104.2 | |||||
| 244 | T | 34.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | cis | -172.4 | 164.3 | -11.1 | 33.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 245 | H | 37 | Very low | 29.6 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | cis | -154.6 | 135.4 | -5.2 | -105.2 | -62.5 | 0 | 0 | 0 | 101.1 | ||||
| 246 | N | 23.9 | Very low | 29.7 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | cis | 52.8 | 103.9 | 29.3 | -144.1 | 40.5 | 0 | 0 | 0 | 112.9 | ||||
| 247 | P | 34.8 | Very low | 29.8 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | cis | -145.4 | -158.8 | 1.8 | 35.8 | -10.8 | 0 | 0 | 0 | 113.5 | ||||
| 248 | L | 23.2 | Very low | 29.8 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 80% | 0.801 | 70% | 0.703 | S | S | * | * | trans | 43 | 96.3 | 133 | -170.1 | 78 | 0 | 0 | 0 | 117.9 | ||||
| 249 | R | 29.8 | Very low | 29.7 | Very low | 245 Ų | 245 | 137.9 Ų | 137.9 | 93% | 0.925 | 71% | 0.707 | S | S | * | * | -156.7 | 117.8 | 129.2 | -119.6 | -167.4 | 162.1 | 143.9 | -3.4 | 113.9 | |||||
| 250 | T | 31.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | trans | -80.6 | -177.3 | 144.3 | 54.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 251 | P | 38.4 | Very low | 29.6 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | cis | -126.3 | -149.7 | -10.9 | 24.2 | 1.7 | 0 | 0 | 0 | 110.5 | ||||
| 252 | D | 25.6 | Very low | 29.6 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | trans | 79.6 | 144.4 | 154.6 | -49.8 | -32.6 | 0 | 0 | 0 | 117 | ||||
| 253 | N | 29.6 | Very low | 30 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | cis | -152.9 | 166.7 | 9.8 | -148.2 | -24.4 | 0 | 0 | 0 | 112.7 | ||||
| 254 | F | 30.4 | Very low | 29.9 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 67.9 | 151.9 | 164 | -51.9 | -49.5 | 0 | 0 | 0 | 116.5 | ||||
| 255 | N | 31.2 | Very low | 29.7 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | cis | -161.7 | 174.5 | -14.1 | -112.6 | -14.4 | 0 | 0 | 0 | 110.4 | ||||
| 256 | Y | 29.6 | Very low | 29.3 | Very low | 203 Ų | 203 | 137 Ų | 137 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 12 | 148.2 | 140.1 | -73.2 | -112.3 | 0 | 0 | 0 | 120 | ||||
| 257 | V | 29 | Very low | 29.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | cis | -176.3 | 165.3 | -13.2 | 81.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 258 | T | 29.7 | Very low | 29.4 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | 28.4 | 132.9 | 164.1 | 67.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 259 | N | 26.1 | Very low | 29.6 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 54.1 | 164.1 | 126 | -55.2 | -7.7 | 0 | 0 | 0 | 123.2 | |||||
| 260 | N | 28.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 72.9 | 91.5 | 154 | -67.6 | 0.7 | 0 | 0 | 0 | 119.4 | ||||
| 261 | S | 26.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | 45.6 | 131 | 112.2 | 66.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 262 | S | 27.9 | Very low | 28.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | 78.1 | 136.6 | 159.5 | -54.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 263 | P | 34 | Very low | 29.3 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | -80.8 | 147.5 | 169.1 | 34.5 | -33.5 | 0 | 0 | 0 | 110.9 | ||||
| 264 | L | 26.4 | Very low | 29.3 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | 177.6 | 131.3 | 136.8 | -100 | 160.9 | 0 | 0 | 0 | 112.5 | ||||
| 265 | Y | 30.6 | Very low | 29.5 | Very low | 227 Ų | 227 | 131.5 Ų | 131.5 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -136.1 | 143.1 | 148.7 | -80.6 | -89.8 | 0 | 0 | 0 | 105.2 | ||||
| 266 | C | 28.9 | Very low | 29.3 | Very low | 94 Ų | 94 | 131 Ų | 131 | 64% | 0.635 | 76% | 0.759 | S | S | * | * | cis | -150.3 | 146.1 | 8.1 | -148.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 267 | T | 30.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | 34 | 130.2 | 147.7 | 55.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 268 | S | 28.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 90.1 | 157.7 | 133.1 | -66 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 269 | T | 27.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -81.6 | 159.4 | -163 | -37.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 270 | T | 30.5 | Very low | 29.8 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | 102.1 | 110.3 | 159.5 | 68.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 271 | V | 27.4 | Very low | 29.7 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | 75.4 | 136.8 | 124.8 | -179.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 272 | T | 28.9 | Very low | 30.4 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | trans | 74.2 | 116.7 | 161 | 41.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 273 | T | 32.1 | Very low | 30.3 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | 66.5 | 120.9 | 133.2 | 57.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 274 | L | 30.8 | Very low | 30 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | trans | -66.9 | 159.1 | 146.4 | -86.6 | 70.8 | 0 | 0 | 0 | 111.1 | ||||
| 275 | P | 34.2 | Very low | 29.9 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | -138.5 | 166.6 | 109.5 | 38.4 | -27.8 | 0 | 0 | 0 | 115.2 | |||||
| 276 | S | 27.6 | Very low | 29.7 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -103.4 | 159.1 | -172.4 | -42.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 277 | S | 32.2 | Very low | 29.6 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | trans | -165.3 | 148.9 | 157.3 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 278 | V | 31.1 | Very low | 29.4 | Very low | 76 Ų | 76 | 116.4 Ų | 116.4 | 46% | 0.461 | 71% | 0.71 | S | S | . | * | trans | 58.2 | 129 | 136.3 | 170.8 | 0 | 0 | 0 | 0 | 117.8 | C878 N880 | V278-C878 WeakPolarHBondContact CA-O 3.46Å; V278-C878 PolarHBondContact N-O 3.38Å; V278-N880 PolarHBondContact O-ND2 2.82Å | ||
| 279 | I | 31.5 | Very low | 29.4 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 54% | 0.538 | 71% | 0.714 | S | S | . | * | cis | -146.5 | -168.5 | 13.1 | -145.8 | 168 | 0 | 0 | 0 | 112.6 | C878 S879 | I279-C878 HydrophobicContact CG1-CB 4.3Å; I279-S879 WeakPolarHBondContact O-CB 3.47Å | ||
| 280 | H | 30.3 | Very low | 29.5 | Very low | 116 Ų | 116 | 121 Ų | 121 | 54% | 0.537 | 71% | 0.708 | S | S | . | * | trans | -62.4 | 163.3 | -179.1 | -72.2 | -130 | 0 | 0 | 0 | 113.7 | C878 S879 | H280-C878 VanDerWaalsContact CD2-SG 3.55Å; H280-C878 PolarHBondContact NE2-SG 2.81Å; H280-S879 PolarHBondContact CD2-OG 2.86Å; H280-S879 PolarHBondContact N-OG 2.92Å | ||
| 281 | N | 26.9 | Very low | 30 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | cis | 70.1 | 161.1 | 34.8 | -132.9 | 19.4 | 0 | 0 | 0 | 113.5 | ||||
| 282 | P | 40.1 | Very low | 30 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | -129.8 | 170.1 | -95.4 | 41.6 | -27.4 | 0 | 0 | 0 | 116.6 | |||||
| 283 | S | 26.4 | Very low | 30.1 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 66.3 | 150.4 | 147 | 66.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 284 | T | 26.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | 91.1 | 136 | 163.3 | 73.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 285 | L | 24.9 | Very low | 29.9 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | 57 | 100.3 | 155 | -68.1 | 165.7 | 0 | 0 | 0 | 121.6 | ||||
| 286 | S | 25.5 | Very low | 30 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | 51 | 115.8 | 123.2 | -154 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 287 | T | 27.3 | Very low | 30.2 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | trans | 65.5 | 123.7 | 138.3 | 50.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 288 | S | 27.4 | Very low | 30.4 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | trans | 77.5 | 122 | 139.2 | 176.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 289 | F | 27.6 | Very low | 30.7 | Very low | 209 Ų | 209 | 128.2 Ų | 128.2 | 92% | 0.917 | 72% | 0.724 | S | S | * | * | trans | -110.9 | 135.4 | 135.2 | -102.3 | -83.9 | 0 | 0 | 0 | 110.2 | ||||
| 290 | M | 30.2 | Very low | 30.3 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 173 | 179.8 | -52.5 | 170.8 | 161.9 | 0 | 0 | 111.5 | ||
| 291 | P | 41.7 | Very low | 29.9 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 133.5 | 135.5 | 33.1 | -28.9 | 0 | 0 | 0 | 110.9 | ||
| 292 | L | 26.4 | Very low | 29.8 | Very low | 131 Ų | 131 | 128 Ų | 128 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 135.8 | -167.1 | -65.9 | 161.2 | 0 | 0 | 0 | 114.6 | ||
| 293 | K | 31.2 | Very low | 29.3 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | 173.8 | 109.1 | 137.5 | -95.2 | 154.8 | -176.3 | 178.8 | 0 | 109.6 | ||||
| 294 | I | 28.9 | Very low | 29.5 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | 70.7 | 99.9 | 75.2 | -61.9 | 162.4 | 0 | 0 | 0 | 113 | |||||
| 295 | S | 29.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -172.5 | 130.8 | 136.4 | -161.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 296 | T | 36.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | 44.1 | 121.4 | 143.5 | 55.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 297 | N | 31.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | 55.1 | 157.9 | 117.2 | -53.2 | -11.5 | 0 | 0 | 0 | 122.7 | |||||
| 298 | P | 37.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | cis | -126.4 | -124.9 | -34.4 | 31.8 | -8.3 | 0 | 0 | 0 | 112 | ||||
| 299 | P | 35.9 | Very low | 30.2 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | -129.2 | -162.7 | -125.5 | 43.3 | -21.9 | 0 | 0 | 0 | 115.6 | |||||
| 300 | S | 23 | Very low | 30.4 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | -73.4 | 178.9 | 170.8 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 301 | S | 23.7 | Very low | 30.4 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | 68.8 | 131.7 | 149.5 | 43.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 302 | E | 24.4 | Very low | 29.7 | Very low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 46.4 | 98 | 143.2 | -60.2 | 176.8 | 134.8 | 0 | 0 | 117.9 | ||||
| 303 | N | 29.6 | Very low | 29.9 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | -158.4 | 156.4 | 92.6 | -107 | -75.8 | 0 | 0 | 0 | 112.6 | P305 | N303-P305 VanDerWaalsContact O-CD 3.23Å; N303-P305 WeakPolarHBondContact O-CD 3.38Å | |||
| 304 | V | 30.7 | Very low | 29.7 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | trans | -96.7 | 105.9 | 170.3 | 172.6 | 0 | 0 | 0 | 0 | 108.5 | I306 | V304-I306 PolarHBondContact O-N 2.97Š| ||
| 305 | P | 27.5 | Very low | 30 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | trans | -80.4 | 103 | 153.2 | 31.7 | -28 | 0 | 0 | 0 | 107.8 | N303 | N303-P305 VanDerWaalsContact O-CD 3.23Å; N303-P305 WeakPolarHBondContact O-CD 3.38Å | ||
| 306 | I | 28.6 | Very low | 30.1 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | 51.4 | 110.9 | 143.9 | -46.8 | 165.2 | 0 | 0 | 0 | 115.4 | V304 P308 | V304-I306 PolarHBondContact O-N 2.97Å; I306-P308 WeakPolarHBondContact O-CD 3.4Å | ||
| 307 | S | 25.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -77.2 | 102.7 | 148.2 | -61.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 308 | P | 37 | Very low | 30.2 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | -75.3 | 149.9 | 157.9 | 34.9 | -34.4 | 0 | 0 | 0 | 108.1 | I306 | I306-P308 WeakPolarHBondContact O-CD 3.4Š| ||
| 309 | L | 28 | Very low | 30.1 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -62.1 | 135.9 | 173.9 | -101.7 | 59.7 | 0 | 0 | 0 | 111.7 | ||||
| 310 | S | 30.7 | Very low | 29.7 | Very low | 80 Ų | 80 | 114.3 Ų | 114.3 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | 81.6 | 123.7 | 129.5 | -66.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 311 | I | 30.1 | Very low | 30 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | 78.4 | 86 | 125.1 | -59.1 | 169.6 | 0 | 0 | 0 | 117.8 | S313 | I311-S313 PolarHBondContact O-OG 3.11Š| |||
| 312 | S | 27 | Very low | 30.5 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 58.9 | -161.5 | 133.9 | 70.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 313 | S | 31 | Very low | 30.7 | Very low | 52 Ų | 52 | 118.3 Ų | 118.3 | 36% | 0.364 | 71% | 0.708 | S | S | . | * | cis | -156.8 | 116.6 | 42.7 | -61.4 | 0 | 0 | 0 | 0 | 114.3 | I311 | I311-S313 PolarHBondContact O-OG 3.11Š| ||
| 314 | S | 28.2 | Very low | 31 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.5 | 178.7 | 144.4 | -54.8 | 0 | 0 | 0 | 0 | 117.6 | S316 | S314-S316 WeakPolarHBondContact CB-O 3.27Å; S314-S316 PolarHBondContact O-N 3.27Å |
| 315 | P | 35 | Very low | 30.9 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 64.5 | 137.7 | 32.9 | -35.5 | 0 | 0 | 0 | 110.1 | ||
| 316 | S | 31.6 | Very low | 31.2 | Very low | 86 Ų | 86 | 117 Ų | 117 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 64.5 | 164.8 | 179.7 | -43.4 | 0 | 0 | 0 | 0 | 115.1 | S314 | S314-S316 WeakPolarHBondContact CB-O 3.27Å; S314-S316 PolarHBondContact O-N 3.27Å |
| 317 | V | 34.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | cis | -149.2 | 142.8 | 17 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 318 | L | 33.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 114.6 Ų | 114.6 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | 61.1 | 116.7 | 166.7 | -67.7 | 164.5 | 0 | 0 | 0 | 118.2 | ||||
| 319 | S | 35.6 | Very low | 32.7 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | 68.9 | 145.7 | 73.8 | 78.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 320 | V | 29 | Very low | 33.2 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | cis | 164.3 | 129.5 | -30.2 | 144 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 321 | L | 27.8 | Very low | 33 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | 68.3 | 159.8 | 165.7 | -77.3 | 166.8 | 0 | 0 | 0 | 122.3 | ||||
| 322 | Y | 34.6 | Very low | 33 | Very low | 232 Ų | 232 | 116.2 Ų | 116.2 | 91% | 0.91 | 71% | 0.706 | S | S | * | * | trans | 64.9 | 157.3 | 179.3 | -69.8 | -84.4 | 0 | 0 | 0 | 117.9 | ||||
| 323 | G | 29.5 | Very low | 33 | Very low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | -164.8 | 155.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 324 | S | 35.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -169 | 166.6 | 170.6 | -78.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 325 | I | 29.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -150.5 | 153.8 | -166 | -79.6 | 177.7 | 0 | 0 | 0 | 107.7 | ||||
| 326 | P | 32.5 | Very low | 32.5 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | cis | -127.1 | 169.8 | 7.1 | 41.6 | -28.2 | 0 | 0 | 0 | 116.7 | ||||
| 327 | S | 33.7 | Very low | 32.2 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | trans | 52.2 | 176.1 | 139.3 | 78.2 | 0 | 0 | 0 | 0 | 120.4 | I329 | S327-I329 CarbonylContact C-O 3.19Å; S327-I329 VanDerWaalsContact C-O 3.27Å; S327-I329 VanDerWaalsContact CA-O 3.32Å; S327-I329 WeakPolarHBondContact CA-O 3.48Å | ||
| 328 | C | 33.3 | Very low | 32.5 | Very low | 117 Ų | 117 | 125 Ų | 125 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | S | Bend | cis | -137.8 | 96.2 | -7.9 | -149.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 329 | I | 57 | Low | 32.1 | Very low | 148 Ų | 148 | 123 Ų | 123 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | S | Bend | 102.6 | 139.1 | -89.9 | -78.5 | 165.6 | 0 | 0 | 0 | 106.9 | S327 | S327-I329 CarbonylContact C-O 3.19Å; S327-I329 VanDerWaalsContact C-O 3.27Å; S327-I329 VanDerWaalsContact CA-O 3.32Å; S327-I329 WeakPolarHBondContact CA-O 3.48Å | |
| 330 | P | 36.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | -91.4 | -145.8 | -125 | -16.3 | 34 | 0 | 0 | 0 | 115.9 | |||||
| 331 | L | 28.4 | Very low | 31.4 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | 86.7 | 167.5 | 167 | -46.6 | 173.6 | 0 | 0 | 0 | 116.4 | ||||
| 332 | C | 29.6 | Very low | 31.5 | Very low | 87 Ų | 87 | 125 Ų | 125 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | trans | 71 | 130.1 | 173.9 | -67.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 333 | V | 26.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 120 Ų | 120 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | cis | 78.5 | 122.3 | 48.8 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 334 | T | 28.5 | Very low | 31 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | cis | -159.4 | 175.8 | -1 | 15.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 335 | S | 29.1 | Very low | 30.6 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -34.5 | 157.6 | 156.2 | 61.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 336 | K | 25.9 | Very low | 30.5 | Very low | 181 Ų | 181 | 123 Ų | 123 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | -177.7 | 138.7 | 76.6 | -124.3 | -178.7 | -176.5 | 172.5 | 0 | 115.1 | |||||
| 337 | I | 25.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | 59.7 | -167.8 | 156.4 | -10.4 | -178.1 | 0 | 0 | 0 | 117.4 | ||||
| 338 | P | 41.5 | Very low | 30.1 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | -132.8 | -167 | -128.1 | 46.1 | -25.8 | 0 | 0 | 0 | 117.1 | |||||
| 339 | S | 25 | Very low | 30.2 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | 77.8 | 161.8 | 169.8 | -12.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 340 | D | 24 | Very low | 29.7 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | cis | -152.1 | 174.3 | -8.7 | -142.9 | -15.2 | 0 | 0 | 0 | 112.2 | ||||
| 341 | N | 26 | Very low | 29.5 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | trans | 6.9 | 125.4 | 163.5 | -60.7 | -63.8 | 0 | 0 | 0 | 123 | ||||
| 342 | N | 29.3 | Very low | 29.6 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | 91.7 | 119.9 | 123 | -78.1 | -14.8 | 0 | 0 | 0 | 125 | |||||
| 343 | I | 28.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 65% | 0.646 | 73% | 0.726 | S | S | * | * | 85 | 103.7 | 126.2 | -64.2 | 170.3 | 0 | 0 | 0 | 119.7 | |||||
| 344 | N | 26.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 64.8 | 157 | 145.8 | -54.5 | -4.8 | 0 | 0 | 0 | 117.9 | ||||
| 345 | S | 26 | Very low | 29.8 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | cis | -157.8 | 152.5 | 9.4 | 95.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 346 | I | 28.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 69.3 | 119.1 | 141.1 | -62.4 | 170.1 | 0 | 0 | 0 | 121.4 | ||||
| 347 | V | 27.5 | Very low | 29.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | trans | 25.9 | 139.8 | 133.4 | -166.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 348 | G | 28.9 | Very low | 30 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | cis | 131.3 | -170.7 | 2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 349 | R | 37.1 | Very low | 29.4 | Very low | 240 Ų | 240 | 130.9 Ų | 130.9 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | trans | 74.1 | 156 | 167.9 | -137.7 | -178.4 | -167.9 | -166.3 | 2.1 | 117.9 | ||||
| 350 | P | 46.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -130.7 | 140 | 140.8 | 13.9 | 7.6 | 0 | 0 | 0 | 114.3 | ||||
| 351 | Q | 32.4 | Very low | 29.9 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | 59.3 | 137.4 | 127.4 | -55.4 | -58.8 | 1.1 | 0 | 0 | 120 | |||||
| 352 | I | 29.9 | Very low | 30 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | cis | -155.7 | 159.5 | 16.3 | -108.2 | 149 | 0 | 0 | 0 | 111.3 | ||||
| 353 | N | 28.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | 67 | 127.8 | 158.2 | -81.1 | 1.9 | 0 | 0 | 0 | 126.4 | ||||
| 354 | Q | 30.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 57.7 | 109.8 | 121.6 | -63.1 | 175.8 | -14.5 | 0 | 0 | 123.7 | |||||
| 355 | T | 28.6 | Very low | 30.1 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 37.9 | 118.6 | 127 | 57.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 356 | V | 29.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | 82 | 118.6 | 121.6 | 174.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 357 | T | 28.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | 62.9 | 124 | 156.6 | 50.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 358 | D | 27 | Very low | 30.1 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | 80.4 | 150.1 | 129.6 | -62 | -8.3 | 0 | 0 | 0 | 124.2 | |||||
| 359 | S | 29.9 | Very low | 30.3 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 76.9 | 103.5 | 166 | 69 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 360 | M | 28 | Very low | 29.8 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | 53.6 | 127.3 | 128.3 | -62.4 | -179.2 | 70.2 | 0 | 0 | 121.9 | |||||
| 361 | S | 30.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -71.9 | 149.6 | 165 | -39.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 362 | I | 29 | Very low | 29 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 173.6 | 151.8 | 147.6 | -97.7 | 152.6 | 0 | 0 | 0 | 107.5 | ||||
| 363 | S | 27.4 | Very low | 29.2 | Very low | 82 Ų | 82 | 146.3 Ų | 146.3 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | cis | 172.7 | 126.7 | -36.6 | -97.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 364 | Q | 32 | Very low | 29.4 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -137.1 | 128.3 | 158.4 | -72 | -177.2 | -13.7 | 0 | 0 | 106.5 | ||
| 365 | M | 27 | Very low | 29.5 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | cis | -135.5 | 143.9 | -2.3 | -103.3 | -87.7 | -146.8 | 0 | 0 | 108.6 | ||||
| 366 | H | 25 | Very low | 29.6 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -92.4 | 147.4 | 166 | -89.6 | 69.5 | 0 | 0 | 0 | 109.6 | ||||
| 367 | Y | 28.6 | Very low | 30 | Very low | 227 Ų | 227 | 147.3 Ų | 147.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -164.7 | 153.8 | 137.8 | -107.1 | -69.3 | 0 | 0 | 0 | 111.9 | ||||
| 368 | I | 26.8 | Very low | 30.6 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -139.8 | 131.2 | -177.1 | -67.5 | 167 | 0 | 0 | 0 | 104.3 | ||||
| 369 | P | 34.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | -160.6 | 176.2 | 91.2 | 42.8 | -21.5 | 0 | 0 | 0 | 118.8 | |||||
| 370 | L | 25.1 | Very low | 30.4 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 15.1 | 128.3 | 143.1 | -57.8 | 164 | 0 | 0 | 0 | 119.4 | ||||
| 371 | N | 32.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | -169.9 | -172.9 | 77.6 | -144 | 43.5 | 0 | 0 | 0 | 112.6 | |||||
| 372 | E | 30.1 | Very low | 30.5 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -90.5 | 144.7 | -165 | -54.2 | 164.2 | 110.1 | 0 | 0 | 116 | ||||
| 373 | Q | 34.4 | Very low | 30.6 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -172.1 | 103.7 | 133.1 | -106.2 | 173.1 | 19.7 | 0 | 0 | 114.3 | ||||
| 374 | N | 31.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 44.4 | 137.6 | 149.2 | -62.1 | -15.5 | 0 | 0 | 0 | 124.8 | ||||
| 375 | N | 33.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 76.4 | 130.4 | 160 | -56.2 | -25.6 | 0 | 0 | 0 | 119 | ||||
| 376 | L | 32.3 | Very low | 31 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | cis | -153.5 | 156.9 | -21.2 | -109.6 | 143.8 | 0 | 0 | 0 | 107.9 | ||||
| 377 | P | 38.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -123.1 | -155.7 | -149 | 48.9 | -37.9 | 0 | 0 | 0 | 112.8 | ||||
| 378 | P | 39.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | cis | -136.2 | -174 | -0.2 | 38.3 | -16.1 | 0 | 0 | 0 | 117.7 | ||||
| 379 | T | 27.5 | Very low | 31.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -123.5 | 159.6 | -155.6 | -51.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 380 | F | 26.6 | Very low | 31.8 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 121.6 | 167.7 | -102.4 | -86.3 | 0 | 0 | 0 | 112.5 | ||||
| 381 | T | 27.3 | Very low | 32 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -167.3 | 167.7 | 154 | 25 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 382 | A | 32.8 | Very low | 31.9 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -93 | 179.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 383 | T | 31 | Very low | 32 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | cis | -150.3 | 171.5 | 20.7 | -41.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 384 | T | 30.4 | Very low | 32 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -47.8 | 143.9 | 175.6 | -33.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 385 | T | 32.7 | Very low | 32 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 139 | 143.9 | 133.1 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 386 | S | 30.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -100.9 | 156.7 | -163.8 | -32.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 387 | T | 33.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 128 Ų | 128 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -144.4 | 168.4 | 160.8 | 42.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 388 | I | 33.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | trans | -128.8 | 138.9 | -173.9 | -48 | 172.1 | 0 | 0 | 0 | 105.4 | ||||
| 389 | T | 32.4 | Very low | 31.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | -176.5 | 171.8 | 73.8 | -40.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 390 | T | 33.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 64.2 | 107.3 | 172.5 | 55.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 391 | Q | 27.8 | Very low | 32 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 74.9 | 107.4 | 61.2 | -72.1 | -166.6 | 0.5 | 0 | 0 | 115.5 | |||||
| 392 | T | 31.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | -174.6 | 132.3 | 111.7 | 20.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 393 | G | 31.1 | Very low | 31.7 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 71.3 | 145.5 | 172 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 394 | A | 34.6 | Very low | 31.6 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | cis | -153.9 | 163.3 | -18.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 395 | T | 32.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 1 | 140.2 | 150.6 | 54.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 396 | E | 31.1 | Very low | 31.8 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | cis | -161.1 | 137 | 5.8 | -106.1 | 159.5 | -171.9 | 0 | 0 | 106.6 | ||||
| 397 | S | 30 | Very low | 31.9 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 84.8 | 126.8 | 72.8 | 108.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 398 | Y | 26.5 | Very low | 31.7 | Very low | 221 Ų | 221 | 128.8 Ų | 128.8 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | 76.2 | 151.6 | 157.7 | -81.7 | -111.6 | 0 | 0 | 0 | 121.3 | ||||
| 399 | P | 44.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | -96.2 | 174 | 178.2 | 45.4 | -39.4 | 0 | 0 | 0 | 110.6 | ||||
| 400 | P | 32.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | -151.8 | 179 | 79.4 | 41.7 | -23 | 0 | 0 | 0 | 115.8 | |||||
| 401 | I | 32.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -71 | 129.3 | 151.5 | -61.2 | 165.8 | 0 | 0 | 0 | 107.9 | ||||
| 402 | S | 25 | Very low | 32.9 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 160.5 | 136.5 | 130.2 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 403 | S | 29.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | -178.8 | 142.8 | 123.8 | 31.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 404 | I | 29.6 | Very low | 33.1 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | cis | -156.8 | 161.1 | -15.8 | -119.7 | 159.4 | 0 | 0 | 0 | 107.1 | ||||
| 405 | N | 33.8 | Very low | 33.1 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 70.5 | 136 | 177 | -63.1 | -20.7 | 0 | 0 | 0 | 117.1 | ||||
| 406 | L | 32.2 | Very low | 33.1 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | cis | -157.8 | 149.8 | -14.7 | -157.5 | 66.7 | 0 | 0 | 0 | 111.1 | ||||
| 407 | L | 33.6 | Very low | 33 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 19.9 | 148.5 | 158.4 | -85.5 | 48.5 | 0 | 0 | 0 | 123.4 | ||||
| 408 | G | 28.5 | Very low | 33 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -80.5 | -153.7 | 157 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 409 | P | 41.5 | Very low | 33 | Very low | 136 Ų | 136 | 127 Ų | 127 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | cis | -128.1 | 172.5 | 24.6 | 41.1 | -26.6 | 0 | 0 | 0 | 116.1 | ||||
| 410 | G | 36.9 | Very low | 32.3 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -179.4 | 66.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 411 | Y | 34.7 | Very low | 32.3 | Very low | 177 Ų | 177 | 128 Ų | 128 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | trans | -93.1 | 174.1 | 179.6 | -100.6 | -115.7 | 0 | 0 | 0 | 112.7 | R413 | Y411-R413 HydrophobicContact CD1-CB 4.22Å; Y411-R413 HydrophobicContact CE1-CB 4.38Å; Y411-R413 PolarHBondContact OH-NH1 3.14Å | ||
| 412 | P | 40.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | cis | -116.6 | 175.1 | -11.7 | 41.2 | -29.9 | 0 | 0 | 0 | 112.3 | ||||
| 413 | R | 32 | Very low | 32.5 | Very low | 195 Ų | 195 | 126.7 Ų | 126.7 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | 84.5 | 73.7 | -2.3 | -155.2 | -174.8 | 176.5 | -157.4 | -3 | 120.5 | Y411 | Y411-R413 HydrophobicContact CD1-CB 4.22Å; Y411-R413 HydrophobicContact CE1-CB 4.38Å; Y411-R413 PolarHBondContact OH-NH1 3.14Å | ||
| 414 | T | 33.8 | Very low | 32.6 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -147.1 | 145.8 | 153.3 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 415 | T | 34.6 | Very low | 32.6 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | cis | -170.4 | 172.3 | -19 | 31 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 416 | T | 32.5 | Very low | 32.7 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | cis | -171.4 | 155.3 | -38.8 | -76.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 417 | C | 28.3 | Very low | 32.8 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | -62.5 | 166.2 | -179.8 | -40.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 418 | L | 30.5 | Very low | 32.9 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | -156.4 | -162.2 | 132 | -114.8 | 168.8 | 0 | 0 | 0 | 113.2 | ||||
| 419 | S | 26.3 | Very low | 33.2 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | -159.5 | -168 | -154.3 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 420 | T | 30.7 | Very low | 32.9 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 84 | 151.1 | 161.4 | 68.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 421 | T | 31.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -169.2 | 143.6 | -34.1 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 422 | L | 30.1 | Very low | 33.2 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | 63.2 | 165.4 | 159.1 | -105.3 | 55 | 0 | 0 | 0 | 120.1 | ||||
| 423 | A | 32.5 | Very low | 32.8 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | cis | -154.6 | 160.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 424 | N | 30.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 120.6 Ų | 120.6 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | 46.8 | 142.7 | 143.1 | -59.7 | -1.2 | 0 | 0 | 0 | 122.4 | ||||
| 425 | T | 30 | Very low | 32.8 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | cis | -156.8 | -144.6 | -14.1 | 30.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 426 | T | 36.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | cis | -165.8 | 151.5 | 7.8 | -24.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 427 | S | 32.4 | Very low | 32.3 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | 44.3 | 126.6 | 149.5 | 60.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 428 | T | 35.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | 62.2 | 138.7 | 143.2 | 50.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 429 | D | 35.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | -141.5 | -171.7 | 20.7 | -111.2 | -38.8 | 0 | 0 | 0 | 115 | ||||
| 430 | S | 35.9 | Very low | 32.3 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -114.7 | -171.5 | -165.8 | -59.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 431 | P | 44 | Very low | 32.1 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | -133.2 | 163.3 | -60.7 | 37.3 | -22.9 | 0 | 0 | 0 | 114.3 | |||||
| 432 | T | 33.8 | Very low | 32 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | -176 | 147.3 | 134.9 | 15.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 433 | S | 32.4 | Very low | 31.9 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 43.3 | 121.5 | 159.6 | 57.2 | 0 | 0 | 0 | 0 | 122.1 | ||
| 434 | S | 33.6 | Very low | 31.6 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 61.1 | 79.2 | 148.3 | 50.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 435 | T | 30.8 | Very low | 31.5 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | -12.5 | 137.6 | 122.1 | 50.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 436 | S | 31 | Very low | 31.2 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | cis | -153.8 | 141.6 | -3.5 | -74 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 437 | A | 27 | Very low | 30.8 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -115.7 | -136.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 438 | V | 28.3 | Very low | 30.6 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | 79.8 | 130.3 | 157.4 | -177.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 439 | V | 27.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | cis | -172.8 | 158.7 | -25.7 | 117.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 440 | L | 28.8 | Very low | 29.7 | Very low | 173 Ų | 173 | 124.3 Ų | 124.3 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | -169.4 | 144.4 | 129.2 | -102.1 | 172.6 | 0 | 0 | 0 | 110.5 | |||||
| 441 | S | 25.8 | Very low | 29.4 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | trans | -166.9 | 129.4 | -159.1 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 442 | H | 29.5 | Very low | 28.6 | Very low | 168 Ų | 168 | 127 Ų | 127 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | 60.6 | 150.1 | 162.8 | -65.7 | -57.2 | 0 | 0 | 0 | 117.6 | ||||
| 443 | N | 28.4 | Very low | 28.4 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -157.5 | -176.1 | 4.5 | -134.8 | 21.8 | 0 | 0 | 0 | 113.8 | ||||
| 444 | D | 26.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 69.4 | 91.7 | 153.9 | -53.8 | -29.2 | 0 | 0 | 0 | 120.9 | ||||
| 445 | E | 28.7 | Very low | 28 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | -170.9 | 119.4 | 106.2 | -92.8 | -167.1 | 138.4 | 0 | 0 | 107.9 | |||||
| 446 | C | 24.1 | Very low | 27.8 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | 73.1 | 134.1 | 75.9 | -67.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 447 | I | 27.1 | Very low | 27.6 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | cis | -158.4 | 166.5 | 0.1 | -115 | 162.1 | 0 | 0 | 0 | 109.9 | ||||
| 448 | S | 27.5 | Very low | 27.6 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 72.5 | 108.1 | 172.7 | -151.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 449 | L | 26.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | cis | 78.1 | 121.7 | 35.9 | -56.3 | 158.9 | 0 | 0 | 0 | 116 | ||||
| 450 | S | 27.1 | Very low | 27.6 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 59.8 | 147.3 | 153.9 | 49.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 451 | H | 29.1 | Very low | 27.7 | Very low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | cis | -152.8 | 134.1 | -1.3 | -119.2 | 3 | 0 | 0 | 0 | 108.3 | ||||
| 452 | S | 28 | Very low | 27.9 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | 93.1 | 134.1 | 86.2 | -169.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 453 | G | 29.3 | Very low | 28.1 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -177.2 | 63.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 454 | A | 30.9 | Very low | 28.3 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | 71.2 | 133 | -177 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 455 | V | 25.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 62% | 0.624 | 70% | 0.704 | S | S | * | * | cis | 58.7 | 110.9 | -3.4 | -147.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 456 | F | 27.9 | Very low | 29 | Very low | 195 Ų | 195 | 122 Ų | 122 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | cis | -126.1 | 151.5 | 35.1 | -82.1 | -113.4 | 0 | 0 | 0 | 109.8 | ||||
| 457 | N | 26.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | cis | 45.5 | 109.4 | 10.9 | -91.2 | 30.9 | 0 | 0 | 0 | 114.8 | I459 | N457-I459 HydrophobicContact CB-CD1 4.5Š| ||
| 458 | C | 27.1 | Very low | 29.3 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | cis | -130.3 | 164.6 | 46.4 | -71.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 459 | I | 29.1 | Very low | 30 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 52% | 0.523 | 71% | 0.705 | S | S | . | * | cis | 66.6 | 133.9 | 40.7 | -39 | 155.6 | 0 | 0 | 0 | 108.8 | N457 | N457-I459 HydrophobicContact CB-CD1 4.5Š| ||
| 460 | D | 25.6 | Very low | 30 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | 179 | 144.6 | 102.8 | -81.4 | -0.3 | 0 | 0 | 0 | 108.3 | |||||
| 461 | E | 31.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 121.7 Ų | 121.7 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | cis | -143.2 | 140.6 | -7.5 | -84.8 | -128.3 | 90.2 | 0 | 0 | 107.1 | ||||
| 462 | N | 30.2 | Very low | 29.9 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 52% | 0.524 | 71% | 0.711 | S | S | . | * | 61.9 | 145.8 | 85.4 | -53.2 | -29 | 0 | 0 | 0 | 113 | |||||
| 463 | I | 34.3 | Very low | 29.9 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | cis | -143.9 | 149.8 | 38.2 | -75.4 | 168.6 | 0 | 0 | 0 | 109.8 | ||||
| 464 | D | 31.1 | Very low | 29.9 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -161.7 | 168.2 | -23.2 | -98.2 | -23.9 | 0 | 0 | 0 | 110.6 | ||||
| 465 | P | 42.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -129.9 | 133.2 | 176.3 | 37.7 | -20.9 | 0 | 0 | 0 | 116.2 | ||||
| 466 | L | 28.2 | Very low | 29.9 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -160.6 | 159.4 | 150.4 | -121.7 | 62.2 | 0 | 0 | 0 | 106.1 | ||||
| 467 | D | 30.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | cis | -135.2 | 175.2 | 22.7 | -148.4 | -17.6 | 0 | 0 | 0 | 114 | ||||
| 468 | S | 25.8 | Very low | 30.3 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | -116.6 | -165.9 | -168.5 | -43.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 469 | P | 43.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | -118.6 | 168.3 | -129.5 | 31.4 | -9.8 | 0 | 0 | 0 | 115.7 | |||||
| 470 | T | 24.9 | Very low | 31.2 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -146.1 | 159 | 161.8 | -27.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 471 | S | 24.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -54.4 | 147.2 | -168.3 | 53.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 472 | I | 30.9 | Very low | 32 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | -152.6 | 126.7 | 124.8 | -101.1 | 150.4 | 0 | 0 | 0 | 110.9 | |||||
| 473 | D | 27.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | trans | 33.8 | 123.2 | 158.1 | -163.1 | 13 | 0 | 0 | 0 | 122.5 | S475 | D473-S475 VanDerWaalsContact CG-OG 3.32Å; D473-S475 PolarHBondContact O-N 3.01Å; D473-S475 VanDerWaalsContact OD1-CB 3.3Å; D473-S475 WeakPolarHBondContact OD1-CB 3.19Å; D473-S475 PolarHBondContact OD1-N 3.37Å; D473-S475 PolarHBondContact OD1-OG 2.94Å; D473-S475 VanDerWaalsContact OD2-CB 3.26Å; D473-S475 WeakPolarHBondContact OD2-CB 3.43Å; D473-S475 PolarHBondContact OD2-OG 2.87Å | ||
| 474 | S | 28.1 | Very low | 34.7 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -87.8 | 44.8 | 173.6 | -64.6 | 0 | 0 | 0 | 0 | 114 | ||
| 475 | S | 27.2 | Very low | 36.9 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | trans | -121.2 | 23 | -170.6 | -59.2 | 0 | 0 | 0 | 0 | 117 | D473 | D473-S475 VanDerWaalsContact CG-OG 3.32Å; D473-S475 PolarHBondContact O-N 3.01Å; D473-S475 VanDerWaalsContact OD1-CB 3.3Å; D473-S475 WeakPolarHBondContact OD1-CB 3.19Å; D473-S475 PolarHBondContact OD1-N 3.37Å; D473-S475 PolarHBondContact OD1-OG 2.94Å; D473-S475 VanDerWaalsContact OD2-CB 3.26Å; D473-S475 WeakPolarHBondContact OD2-CB 3.43Å; D473-S475 PolarHBondContact OD2-OG 2.87Å | ||
| 476 | Q | 31.1 | Very low | 39 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | trans | -121.3 | 44.4 | 179.6 | -63.2 | -163.9 | 12.8 | 0 | 0 | 115.7 | ||||
| 477 | Q | 32.6 | Very low | 42 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -112.4 | -9.2 | 163 | -72.8 | -164.7 | 2.4 | 0 | 0 | 115.2 | ||
| 478 | F | 30.1 | Very low | 45 | Very low | 192 Ų | 192 | 124.4 Ų | 124.4 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -87.8 | 166.4 | 157.6 | -77.3 | -99.4 | 0 | 0 | 0 | 109.8 | ||
| 479 | M | 32.9 | Very low | 48.3 | Very low | 157 Ų | 157 | 124.8 Ų | 124.8 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | 74.1 | 48.1 | -170.5 | -55.9 | -62.7 | 177.6 | 0 | 0 | 116.8 | ||||
| 480 | K | 41.4 | Very low | 50.7 | Low | 159 Ų | 159 | 124.7 Ų | 124.7 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | trans | -92.9 | -9 | 173 | -153 | 157.6 | -166.7 | 157.1 | 0 | 115.7 | I483 | K480-I483 HydrophobicContact CG-CD1 4.48Å; K480-I483 WeakPolarHBondContact O-CD1 3.44Å; K480-I483 WeakPolarHBondContact O-CG1 3.26Å | ||
| 481 | D | 35.2 | Very low | 54.1 | Low | 163 Ų | 163 | 118.5 Ų | 118.5 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -109.2 | 4.2 | -171.8 | -66.3 | -59.2 | 0 | 0 | 0 | 115.2 | ||
| 482 | Q | 39 | Very low | 57.5 | Low | 170 Ų | 170 | 113.7 Ų | 113.7 | 79% | 0.794 | 58% | 0.577 | S | S | * | * | trans | -106.5 | 37 | 169 | -65.7 | -154.8 | 60.2 | 0 | 0 | 112.8 | E484 | Q482-E484 PolarHBondContact O-N 3.27Š| ||
| 483 | I | 58.3 | Low | 60.6 | Low | 68 Ų | 68 | 107 Ų | 107 | 35% | 0.349 | 55% | 0.546 | S | S | . | . | trans | -76.6 | 107.6 | 176.6 | -60.1 | 173.9 | 0 | 0 | 0 | 109.5 | K480 W531 R543 | K480-I483 HydrophobicContact CG-CD1 4.48Å; K480-I483 WeakPolarHBondContact O-CD1 3.44Å; K480-I483 WeakPolarHBondContact O-CG1 3.26Å; I483-W531 HydrophobicContact CG2-CZ2 4.09Å; I483-R543 VanDerWaalsContact CD1-NH1 3.3Å | ||
| 484 | E | 62.8 | Low | 63.8 | Low | 160 Ų | 160 | 103.7 Ų | 103.7 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | trans | -50.9 | 141.4 | 179.3 | -164.2 | 174.7 | -164.4 | 0 | 0 | 112.3 | Q482 L486 | Q482-E484 PolarHBondContact O-N 3.27Å; E484-L486 PolarHBondContact O-N 3.45Å | ||
| 485 | P | 77.6 | Confident | 67.1 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 64% | 0.643 | 49% | 0.487 | S | S | * | . | trans | -70.8 | 89.6 | -174.1 | 27.6 | -36.6 | 0 | 0 | 0 | 113.5 | W531 | P485-W531 VanDerWaalsContact CA-CD1 3.49Å; P485-W531 HydrophobicContact CB-CG 4.29Å | ||
| 486 | L | 85.7 | Confident | 70.3 | Confident | 24 Ų | 24 | 98.4 Ų | 98.4 | 13% | 0.126 | 48% | 0.478 | C | S | . | . | trans | -52.8 | 136.4 | -175.4 | -64.3 | 178.1 | 0 | 0 | 0 | 114.8 | E484 T488 I491 W531 R543 | E484-L486 PolarHBondContact O-N 3.45Å; L486-T488 PolarHBondContact O-N 3.1Å; L486-I491 HydrophobicContact CB-CD1 3.9Å; L486-I491 HydrophobicContact CD1-CD1 4.38Å; L486-W531 HydrophobicContact CB-CD2 4.31Å; L486-W531 HydrophobicContact CB-CE3 3.91Å; L486-W531 HydrophobicContact CB-CH2 4.37Å; L486-W531 HydrophobicContact CB-CZ3 3.97Å; L486-W531 HydrophobicContact CD1-CH2 3.72Å; L486-W531 HydrophobicContact CD1-CZ2 4.49Å; L486-W531 HydrophobicContact CD1-CZ3 3.77Å; L486-W531 HydrophobicContact CG-CH2 4.14Å; L486-W531 HydrophobicContact CG-CZ2 4.48Å; L486-W531 HydrophobicContact CG-CZ3 4.19Å; L486-R543 HydrophobicContact CD1-CG 4.04Å | ||
| 487 | N | 91.4 | Very high | 73.4 | Confident | 79 Ų | 79 | 94 Ų | 94 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | trans | -74.2 | 87.4 | 175.9 | -170.6 | 0.8 | 0 | 0 | 0 | 111.6 | F489 E490 I491 | N487-F489 PolarHBondContact O-N 2.95Å; N487-F489 VanDerWaalsContact O-N 3.13Å; N487-F489 PolarHBondContact OD1-N 3.39Å; N487-E490 HydrophobicContact CB-CB 4.04Å; N487-E490 WeakPolarHBondContact CB-OE2 3.43Å; N487-E490 VanDerWaalsContact ND2-CB 3.33Å; N487-E490 WeakPolarHBondContact ND2-CB 3.44Å; N487-E490 PolarHBondContact ND2-OE2 3.18Å; N487-E490 PolarHBondContact O-N 2.81Å; N487-I491 WeakPolarHBondContact O-CG1 3.25Å; N487-I491 PolarHBondContact O-N 3.47Å; N487-I491 VanDerWaalsContact O-N 3.09Å | ||
| 488 | T | 94.3 | Very high | 76.3 | Confident | 2 Ų | 2 | 86.7 Ų | 86.7 | 1% | 0.012 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.1 | -25.3 | 179.7 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | L486 A492 P528 R529 P530 W531 L534 Y542 | L486-T488 PolarHBondContact O-N 3.1Å; T488-A492 WeakPolarHBondContact O-CB 2.95Å; T488-A492 PolarHBondContact O-N 3.48Å; T488-P528 WeakPolarHBondContact O-CB 3.23Å; T488-R529 WeakPolarHBondContact CB-O 3.37Å; T488-R529 PolarHBondContact OG1-O 3.49Å; T488-P530 WeakPolarHBondContact OG1-CA 3.38Å; T488-W531 HydrophobicContact CG2-CB 4.24Å; T488-W531 HydrophobicContact CG2-CE3 4.13Å; T488-L534 HydrophobicContact CG2-CD1 3.73Å; T488-Y542 HydrophobicContact CG2-CD1 3.87Å; T488-Y542 HydrophobicContact CG2-CD2 4.17Å; T488-Y542 HydrophobicContact CG2-CE1 4.04Å; T488-Y542 HydrophobicContact CG2-CE2 4.35Å; T488-Y542 HydrophobicContact CG2-CG 3.93Å; T488-Y542 VanDerWaalsContact O-CE1 3.24Å; T488-Y542 WeakPolarHBondContact O-CE1 3.47Å |
| 489 | F | 95.3 | Very high | 79.3 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.4 | -43.2 | -179.3 | -68.8 | -87.9 | 0 | 0 | 0 | 111.8 | N487 A492 A493 P528 P530 | N487-F489 PolarHBondContact O-N 2.95Å; N487-F489 VanDerWaalsContact O-N 3.13Å; N487-F489 PolarHBondContact OD1-N 3.39Å; F489-A492 CarbonylContact O-C 3.5Å; F489-A492 PolarHBondContact O-N 3.22Å; F489-A493 PolarHBondContact O-N 2.86Å; F489-P528 HydrophobicContact CD1-CB 4.24Å; F489-P528 HydrophobicContact CD1-CG 3.61Å; F489-P528 HydrophobicContact CE1-CB 4.46Å; F489-P528 HydrophobicContact CE1-CG 3.99Å; F489-P528 VanDerWaalsContact CE1-O 3.28Å; F489-P528 WeakPolarHBondContact CE1-O 3.21Å; F489-P528 HydrophobicContact CG-CG 4.32Å; F489-P528 WeakPolarHBondContact CZ-O 3.3Å; F489-P530 HydrophobicContact CE2-CB 4.09Å |
| 490 | E | 94.2 | Very high | 82.2 | Confident | 116 Ų | 116 | 75.3 Ų | 75.3 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.5 | -49.4 | 177.9 | 178.9 | 175.1 | -170.2 | 0 | 0 | 110.9 | N487 A492 A493 T494 | N487-E490 HydrophobicContact CB-CB 4.04Å; N487-E490 WeakPolarHBondContact CB-OE2 3.43Å; N487-E490 VanDerWaalsContact ND2-CB 3.33Å; N487-E490 WeakPolarHBondContact ND2-CB 3.44Å; N487-E490 PolarHBondContact ND2-OE2 3.18Å; N487-E490 PolarHBondContact O-N 2.81Å; E490-A492 PolarHBondContact O-N 3.49Å; E490-A493 WeakPolarHBondContact O-CA 3.29Å; E490-A493 WeakPolarHBondContact O-CB 3.43Å; E490-A493 PolarHBondContact O-N 2.79Å; E490-T494 PolarHBondContact O-N 2.88Å; E490-T494 PolarHBondContact O-OG1 3.47Å; E490-T494 VanDerWaalsContact O-OG1 3.13Å |
| 491 | I | 95.6 | Very high | 84.6 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 7% | 0.072 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -53.7 | -39.2 | 172.1 | -66.4 | 166.2 | 0 | 0 | 0 | 111.4 | L486 N487 V495 Y542 L545 Q546 I549 | L486-I491 HydrophobicContact CB-CD1 3.9Å; L486-I491 HydrophobicContact CD1-CD1 4.38Å; N487-I491 WeakPolarHBondContact O-CG1 3.25Å; N487-I491 PolarHBondContact O-N 3.47Å; N487-I491 VanDerWaalsContact O-N 3.09Å; I491-V495 WeakPolarHBondContact O-CB 3.41Å; I491-V495 WeakPolarHBondContact O-CG2 3.08Å; I491-V495 PolarHBondContact O-N 2.97Å; I491-Y542 HydrophobicContact CB-CD1 4.26Å; I491-Y542 HydrophobicContact CG2-CD1 3.9Å; I491-L545 HydrophobicContact CG2-CB 3.47Å; I491-L545 VanDerWaalsContact CG2-CB 3.47Å; I491-L545 HydrophobicContact CG2-CD1 3.99Å; I491-L545 HydrophobicContact CG2-CG 4.39Å; I491-Q546 HydrophobicContact CD1-CB 4.18Å; I491-I549 HydrophobicContact CB-CD1 4.48Å; I491-I549 HydrophobicContact CG2-CD1 3.98Å |
| 492 | A | 96.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -78.2 | -15.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T488 F489 E490 R496 L525 P528 Y542 | T488-A492 WeakPolarHBondContact O-CB 2.95Å; T488-A492 PolarHBondContact O-N 3.48Å; F489-A492 CarbonylContact O-C 3.5Å; F489-A492 PolarHBondContact O-N 3.22Å; E490-A492 PolarHBondContact O-N 3.49Å; A492-R496 WeakPolarHBondContact O-CG 3.22Å; A492-R496 PolarHBondContact O-NE 3.28Å; A492-R496 PolarHBondContact O-NH2 3.17Å; A492-L525 HydrophobicContact CB-CD2 4.11Å; A492-P528 HydrophobicContact CB-CB 3.8Å; A492-P528 HydrophobicContact CB-CG 3.88Å; A492-Y542 HydrophobicContact CB-CE1 4.37Å |
| 493 | A | 95.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -81.1 | -60.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F489 E490 V495 R496 D497 | F489-A493 PolarHBondContact O-N 2.86Å; E490-A493 WeakPolarHBondContact O-CA 3.29Å; E490-A493 WeakPolarHBondContact O-CB 3.43Å; E490-A493 PolarHBondContact O-N 2.79Å; A493-V495 PolarHBondContact O-N 3.21Å; A493-R496 WeakPolarHBondContact O-CA 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.22Å; A493-R496 PolarHBondContact O-N 2.87Å; A493-D497 VanDerWaalsContact C-OD2 3.3Å; A493-D497 PolarHBondContact O-N 2.81Å; A493-D497 VanDerWaalsContact O-OD2 3.12Å |
| 494 | T | 95.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 66 Ų | 66 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.6 | -36 | -176.7 | -44.2 | 0 | 0 | 0 | 0 | 112.9 | E490 D497 L498 I549 | E490-T494 PolarHBondContact O-N 2.88Å; E490-T494 PolarHBondContact O-OG1 3.47Å; E490-T494 VanDerWaalsContact O-OG1 3.13Å; T494-D497 PolarHBondContact O-N 3.21Å; T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 HydrophobicContact CG2-CG 4.46Å; T494-L498 VanDerWaalsContact O-CB 3.31Å; T494-L498 WeakPolarHBondContact O-CB 3.43Å; T494-L498 VanDerWaalsContact O-CG 3.28Å; T494-L498 WeakPolarHBondContact O-CG 3.16Å; T494-L498 PolarHBondContact O-N 2.89Å; T494-I549 HydrophobicContact CG2-CG2 3.8Å |
| 495 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.4 | -38.5 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | I491 A493 D497 L499 F509 M521 L525 L545 W548 I549 | I491-V495 WeakPolarHBondContact O-CB 3.41Å; I491-V495 WeakPolarHBondContact O-CG2 3.08Å; I491-V495 PolarHBondContact O-N 2.97Å; A493-V495 PolarHBondContact O-N 3.21Å; V495-D497 VanDerWaalsContact C-N 3.31Å; V495-L499 HydrophobicContact CG1-CD1 3.83Å; V495-L499 HydrophobicContact CG1-CG 4.24Å; V495-L499 VanDerWaalsContact O-CB 3.24Å; V495-L499 WeakPolarHBondContact O-CB 2.98Å; V495-L499 WeakPolarHBondContact O-CD1 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.34Å; V495-L499 PolarHBondContact O-N 2.91Å; V495-F509 HydrophobicContact CG1-CE1 4.48Å; V495-F509 HydrophobicContact CG1-CE2 4.41Å; V495-F509 HydrophobicContact CG1-CZ 4.11Å; V495-M521 HydrophobicContact CG1-CE 3.96Å; V495-L525 HydrophobicContact CB-CD2 3.91Å; V495-L525 HydrophobicContact CG1-CD1 4.18Å; V495-L525 HydrophobicContact CG1-CD2 3.86Å; V495-L545 HydrophobicContact CG1-CD2 4.02Å; V495-L545 HydrophobicContact CG2-CB 4.15Å; V495-L545 HydrophobicContact CG2-CD1 4.27Å; V495-L545 HydrophobicContact CG2-CD2 3.93Å; V495-L545 HydrophobicContact CG2-CG 4.34Å; V495-W548 HydrophobicContact CG2-CE3 4.43Å; V495-W548 HydrophobicContact CG2-CZ3 4.43Å; V495-I549 HydrophobicContact CG2-CD1 3.52Å; V495-I549 HydrophobicContact CG2-CG1 3.62Å |
| 496 | R | 95.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 59.3 Ų | 59.3 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 172.6 | -78 | -179.1 | -73.4 | 127.2 | 3.1 | 110.1 | A492 A493 L499 T500 L525 | A492-R496 WeakPolarHBondContact O-CG 3.22Å; A492-R496 PolarHBondContact O-NE 3.28Å; A492-R496 PolarHBondContact O-NH2 3.17Å; A493-R496 WeakPolarHBondContact O-CA 3.46Å; A493-R496 WeakPolarHBondContact O-CB 3.22Å; A493-R496 PolarHBondContact O-N 2.87Å; R496-L499 PolarHBondContact O-N 3.23Å; R496-T500 WeakPolarHBondContact O-CB 3.41Å; R496-T500 PolarHBondContact O-N 3.21Å; R496-T500 PolarHBondContact O-OG1 3.44Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 3.84Å; R496-L525 HydrophobicContact CG-CD2 4.38Å; R496-L525 HydrophobicContact CG-CG 4.3Å; R496-L525 PolarHBondContact NE-O 2.95Å |
| 497 | D | 95.2 | Very high | 93.6 | Very high | 93 Ų | 93 | 67.3 Ų | 67.3 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | -175.4 | -52 | -29.6 | 0 | 0 | 0 | 111 | A493 T494 V495 T500 K501 | A493-D497 VanDerWaalsContact C-OD2 3.3Å; A493-D497 PolarHBondContact O-N 2.81Å; A493-D497 VanDerWaalsContact O-OD2 3.12Å; T494-D497 PolarHBondContact O-N 3.21Å; V495-D497 VanDerWaalsContact C-N 3.31Å; D497-T500 PolarHBondContact O-N 3.09Å; D497-K501 WeakPolarHBondContact O-CB 3.39Å; D497-K501 PolarHBondContact O-N 3.39Å |
| 498 | L | 94.1 | Very high | 93.5 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 172.4 | -75.6 | 170.1 | 0 | 0 | 0 | 113 | T494 H502 W548 I549 | T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 HydrophobicContact CG2-CG 4.46Å; T494-L498 VanDerWaalsContact O-CB 3.31Å; T494-L498 WeakPolarHBondContact O-CB 3.43Å; T494-L498 VanDerWaalsContact O-CG 3.28Å; T494-L498 WeakPolarHBondContact O-CG 3.16Å; T494-L498 PolarHBondContact O-N 2.89Å; L498-H502 WeakPolarHBondContact O-CB 3.37Å; L498-H502 PolarHBondContact O-CD2 2.96Å; L498-H502 PolarHBondContact O-N 2.95Å; L498-W548 HydrophobicContact CB-CH2 3.99Å; L498-W548 HydrophobicContact CB-CZ3 4.07Å; L498-W548 HydrophobicContact CD1-CH2 4.22Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; L498-I549 HydrophobicContact CD1-CG1 4.36Å; L498-I549 HydrophobicContact CD1-CG2 4.22Å |
| 499 | L | 93.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.7 | -75.6 | 175.4 | 0 | 0 | 0 | 111.7 | V495 R496 N503 I504 Q506 F509 L525 | V495-L499 HydrophobicContact CG1-CD1 3.83Å; V495-L499 HydrophobicContact CG1-CG 4.24Å; V495-L499 VanDerWaalsContact O-CB 3.24Å; V495-L499 WeakPolarHBondContact O-CB 2.98Å; V495-L499 WeakPolarHBondContact O-CD1 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.34Å; V495-L499 PolarHBondContact O-N 2.91Å; R496-L499 PolarHBondContact O-N 3.23Å; L499-N503 PolarHBondContact O-N 3.32Å; L499-I504 HydrophobicContact CD2-CB 3.65Å; L499-I504 HydrophobicContact CD2-CG2 3.46Å; L499-I504 VanDerWaalsContact CD2-CG2 3.46Å; L499-I504 PolarHBondContact O-N 3.07Å; L499-Q506 HydrophobicContact CD1-CG 4.07Å; L499-F509 HydrophobicContact CD1-CB 4.49Å; L499-F509 HydrophobicContact CD1-CD2 4.45Å; L499-F509 HydrophobicContact CD1-CG 4.34Å; L499-F509 HydrophobicContact CD2-CB 3.89Å; L499-F509 HydrophobicContact CD2-CD2 3.55Å; L499-F509 HydrophobicContact CD2-CE2 4.32Å; L499-F509 HydrophobicContact CD2-CG 3.94Å; L499-F509 HydrophobicContact CG-CD2 4.36Å; L499-L525 HydrophobicContact CD1-CD1 4.15Å |
| 500 | T | 93 | Very high | 93.3 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 64% | 0.638 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.2 | -52.2 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | R496 D497 H502 N503 | R496-T500 WeakPolarHBondContact O-CB 3.41Å; R496-T500 PolarHBondContact O-N 3.21Å; R496-T500 PolarHBondContact O-OG1 3.44Å; D497-T500 PolarHBondContact O-N 3.09Å; T500-H502 PolarHBondContact O-N 3.11Å; T500-N503 PolarHBondContact O-N 3.44Å; T500-N503 VanDerWaalsContact O-N 3.13Å; T500-N503 PolarHBondContact O-OD1 3.44Å |
| 501 | K | 92.2 | Very high | 93.1 | Very high | 165 Ų | 165 | 62.5 Ų | 62.5 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56.2 | -21.8 | 179.1 | -176.6 | 174.6 | -179 | 177.3 | 0 | 113.8 | D497 | D497-K501 WeakPolarHBondContact O-CB 3.39Å; D497-K501 PolarHBondContact O-N 3.39Å |
| 502 | H | 89.6 | Confident | 92.6 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 9.2 | -176.6 | -63.3 | -43.8 | 0 | 0 | 0 | 114.6 | L498 T500 I504 V555 | L498-H502 WeakPolarHBondContact O-CB 3.37Å; L498-H502 PolarHBondContact O-CD2 2.96Å; L498-H502 PolarHBondContact O-N 2.95Å; T500-H502 PolarHBondContact O-N 3.11Å; H502-I504 HydrophobicContact CB-CD1 3.96Å; H502-I504 HydrophobicContact CB-CG1 3.94Å; H502-I504 WeakPolarHBondContact O-CG1 3.33Å; H502-I504 PolarHBondContact O-N 2.84Å; H502-V555 HydrophobicContact CB-CG1 3.89Å; H502-V555 WeakPolarHBondContact CD2-CG1 3.28Å |
| 503 | N | 92 | Very high | 92.3 | Very high | 140 Ų | 140 | 66.3 Ų | 66.3 | 75% | 0.749 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.4 | -179.4 | -67.1 | -30.4 | 0 | 0 | 0 | 113.5 | L499 T500 | L499-N503 PolarHBondContact O-N 3.32Å; T500-N503 PolarHBondContact O-N 3.44Å; T500-N503 VanDerWaalsContact O-N 3.13Å; T500-N503 PolarHBondContact O-OD1 3.44Å |
| 504 | I | 91.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | trans | -94.5 | 115.6 | -179.9 | -59.8 | -178.6 | 0 | 0 | 0 | 108.8 | L499 H502 Q506 V555 L558 K559 | L499-I504 HydrophobicContact CD2-CB 3.65Å; L499-I504 HydrophobicContact CD2-CG2 3.46Å; L499-I504 VanDerWaalsContact CD2-CG2 3.46Å; L499-I504 PolarHBondContact O-N 3.07Å; H502-I504 HydrophobicContact CB-CD1 3.96Å; H502-I504 HydrophobicContact CB-CG1 3.94Å; H502-I504 WeakPolarHBondContact O-CG1 3.33Å; H502-I504 PolarHBondContact O-N 2.84Å; I504-Q506 PolarHBondContact O-N 3.39Å; I504-V555 HydrophobicContact CD1-CG1 3.9Å; I504-L558 HydrophobicContact CD1-CB 4.48Å; I504-L558 HydrophobicContact CD1-CD2 4.19Å; I504-L558 HydrophobicContact CD1-CG 4.5Å; I504-L558 HydrophobicContact CG2-CD2 3.5Å; I504-L558 HydrophobicContact CG2-CG 4.11Å; I504-K559 HydrophobicContact CD1-CG 4.31Å; I504-K559 HydrophobicContact CG1-CG 4.48Å | ||
| 505 | S | 90.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | trans | -65.5 | 137.1 | 179.1 | 73.5 | 0 | 0 | 0 | 0 | 112 | R507 Q508 F509 | S505-R507 PolarHBondContact O-N 2.84Å; S505-Q508 PolarHBondContact O-N 3.35Å; S505-Q508 WeakPolarHBondContact OG-CB 3.4Å; S505-Q508 PolarHBondContact OG-N 2.98Å; S505-F509 PolarHBondContact O-N 2.89Å; S505-F509 VanDerWaalsContact O-N 3.1Å | ||
| 506 | Q | 92 | Very high | 91.3 | Very high | 60 Ų | 60 | 72 Ų | 72 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.6 | -25 | 173.9 | -65.8 | -177.7 | 14.7 | 0 | 0 | 112.7 | L499 I504 S510 Q518 | L499-Q506 HydrophobicContact CD1-CG 4.07Å; I504-Q506 PolarHBondContact O-N 3.39Å; Q506-S510 VanDerWaalsContact O-CB 3.24Å; Q506-S510 WeakPolarHBondContact O-CB 3.19Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-S510 PolarHBondContact O-OG 3.07Å; Q506-Q518 HydrophobicContact CB-CG 4.39Å |
| 507 | R | 91.1 | Very high | 91 | Very high | 191 Ų | 191 | 70.4 Ų | 70.4 | 72% | 0.721 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.7 | -42.6 | 175.2 | -169.4 | -179.3 | -175 | -173 | 2.3 | 112.5 | S505 S510 R511 Q518 | S505-R507 PolarHBondContact O-N 2.84Å; R507-S510 PolarHBondContact O-OG 3.1Å; R507-R511 WeakPolarHBondContact O-CB 3.34Å; R507-R511 PolarHBondContact O-N 3.43Å; R507-Q518 HydrophobicContact CB-CB 4.35Å; R507-Q518 HydrophobicContact CB-CG 4.15Å; R507-Q518 HydrophobicContact CG-CB 4.45Å |
| 508 | Q | 89.1 | Confident | 90.8 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 11% | 0.112 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 176.4 | -173.4 | 73.9 | -33.5 | 0 | 0 | 110.2 | S505 R511 H512 L558 T561 | S505-Q508 PolarHBondContact O-N 3.35Å; S505-Q508 WeakPolarHBondContact OG-CB 3.4Å; S505-Q508 PolarHBondContact OG-N 2.98Å; Q508-R511 PolarHBondContact O-N 3.47Å; Q508-H512 PolarHBondContact O-CD2 2.87Å; Q508-H512 PolarHBondContact O-N 3.2Å; Q508-H512 PolarHBondContact OE1-NE2 3.3Å; Q508-L558 HydrophobicContact CG-CD1 4.04Å; Q508-T561 PolarHBondContact NE2-O 3.15Å |
| 509 | F | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -53 | 177.4 | -172.8 | -80.2 | 0 | 0 | 0 | 113.4 | V495 L499 S505 R511 H512 I513 L514 M521 L545 W548 L558 | V495-F509 HydrophobicContact CG1-CE1 4.48Å; V495-F509 HydrophobicContact CG1-CE2 4.41Å; V495-F509 HydrophobicContact CG1-CZ 4.11Å; L499-F509 HydrophobicContact CD1-CB 4.49Å; L499-F509 HydrophobicContact CD1-CD2 4.45Å; L499-F509 HydrophobicContact CD1-CG 4.34Å; L499-F509 HydrophobicContact CD2-CB 3.89Å; L499-F509 HydrophobicContact CD2-CD2 3.55Å; L499-F509 HydrophobicContact CD2-CE2 4.32Å; L499-F509 HydrophobicContact CD2-CG 3.94Å; L499-F509 HydrophobicContact CG-CD2 4.36Å; S505-F509 PolarHBondContact O-N 2.89Å; S505-F509 VanDerWaalsContact O-N 3.1Å; F509-R511 PolarHBondContact O-N 2.82Å; F509-H512 PolarHBondContact O-N 3.08Å; F509-I513 HydrophobicContact CD2-CD1 3.49Å; F509-I513 VanDerWaalsContact CD2-CD1 3.49Å; F509-I513 HydrophobicContact CE1-CB 4.3Å; F509-I513 HydrophobicContact CE1-CD1 4.42Å; F509-I513 HydrophobicContact CE1-CG2 4.22Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.09Å; F509-I513 HydrophobicContact CZ-CB 4.37Å; F509-I513 HydrophobicContact CZ-CD1 3.92Å; F509-I513 HydrophobicContact CZ-CG2 4.08Å; F509-I513 PolarHBondContact O-N 3.29Å; F509-I513 VanDerWaalsContact O-N 3.08Å; F509-L514 HydrophobicContact CD1-CG 4.49Å; F509-L514 HydrophobicContact CE1-CD1 4.06Å; F509-L514 HydrophobicContact CE1-CG 3.9Å; F509-M521 HydrophobicContact CD1-CE 3.6Å; F509-M521 HydrophobicContact CE1-CE 3.53Å; F509-M521 HydrophobicContact CZ-CE 4.46Å; F509-L545 HydrophobicContact CE1-CD2 3.45Å; F509-L545 VanDerWaalsContact CE1-CD2 3.45Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; F509-W548 HydrophobicContact CD2-CH2 4.38Å; F509-W548 HydrophobicContact CD2-CZ2 4.18Å; F509-W548 AromaticContact CE2-CD2 3.45Å; F509-W548 HydrophobicContact CE2-CD2 3.45Å; F509-W548 VanDerWaalsContact CE2-CD2 3.45Å; F509-W548 AromaticContact CE2-CE2 3.52Å; F509-W548 AromaticContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CG 4.09Å; F509-W548 AromaticContact CE2-CH2 3.79Å; F509-W548 HydrophobicContact CE2-CH2 3.79Å; F509-W548 AromaticContact CE2-CZ2 3.7Å; F509-W548 HydrophobicContact CE2-CZ2 3.7Å; F509-W548 AromaticContact CE2-CZ3 3.71Å; F509-W548 HydrophobicContact CE2-CZ3 3.71Å; F509-W548 AromaticContact CZ-CD2 3.93Å; F509-W548 HydrophobicContact CZ-CD2 3.93Å; F509-W548 AromaticContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CG 4.26Å; F509-W548 HydrophobicContact CZ-CZ3 4.37Å; F509-L558 HydrophobicContact CB-CD2 4.35Å; F509-L558 HydrophobicContact CD2-CD2 3.86Å |
| 510 | S | 92.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -61.7 | -32.3 | -177.2 | 58 | 0 | 0 | 0 | 0 | 112.5 | Q506 R507 K515 L516 Q518 | Q506-S510 VanDerWaalsContact O-CB 3.24Å; Q506-S510 WeakPolarHBondContact O-CB 3.19Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-S510 PolarHBondContact O-OG 3.07Å; R507-S510 PolarHBondContact O-OG 3.1Å; S510-K515 WeakPolarHBondContact O-CA 3.22Å; S510-K515 PolarHBondContact O-N 2.92Å; S510-L516 CarbonylContact C-O 3.53Å; S510-L516 PolarHBondContact O-N 3.02Å; S510-Q518 WeakPolarHBondContact OG-CA 3.36Å |
| 511 | R | 88.9 | Confident | 90.4 | Very high | 174 Ų | 174 | 68.6 Ų | 68.6 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | I | π-helix | trans | -69.6 | -50.2 | 177.9 | -174 | 173 | -172.6 | 156 | 4.2 | 112.9 | R507 Q508 F509 | R507-R511 WeakPolarHBondContact O-CB 3.34Å; R507-R511 PolarHBondContact O-N 3.43Å; Q508-R511 PolarHBondContact O-N 3.47Å; F509-R511 PolarHBondContact O-N 2.82Å |
| 512 | H | 86.1 | Confident | 90.5 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 25% | 0.25 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -85.7 | -44.5 | -170.4 | -60.1 | -50.2 | 0 | 0 | 0 | 113.1 | Q508 F509 L558 | Q508-H512 PolarHBondContact O-CD2 2.87Å; Q508-H512 PolarHBondContact O-N 3.2Å; Q508-H512 PolarHBondContact OE1-NE2 3.3Å; F509-H512 PolarHBondContact O-N 3.08Å; H512-L558 HydrophobicContact CB-CD1 4.25Å |
| 513 | I | 88.5 | Confident | 90.6 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.205 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -89.9 | -62.3 | -171.5 | -66.8 | 153.1 | 0 | 0 | 0 | 111.4 | F509 W548 L558 | F509-I513 HydrophobicContact CD2-CD1 3.49Å; F509-I513 VanDerWaalsContact CD2-CD1 3.49Å; F509-I513 HydrophobicContact CE1-CB 4.3Å; F509-I513 HydrophobicContact CE1-CD1 4.42Å; F509-I513 HydrophobicContact CE1-CG2 4.22Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.09Å; F509-I513 HydrophobicContact CZ-CB 4.37Å; F509-I513 HydrophobicContact CZ-CD1 3.92Å; F509-I513 HydrophobicContact CZ-CG2 4.08Å; F509-I513 PolarHBondContact O-N 3.29Å; F509-I513 VanDerWaalsContact O-N 3.08Å; I513-W548 HydrophobicContact CD1-CD2 4.35Å; I513-W548 HydrophobicContact CD1-CG 4.02Å; I513-W548 VanDerWaalsContact CD1-NE1 3.28Å; I513-W548 HydrophobicContact CG2-CB 4.3Å; I513-W548 HydrophobicContact CG2-CG 4.4Å; I513-L558 HydrophobicContact CD1-CD2 3.76Å |
| 514 | L | 88.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -77.8 | -27.6 | -175.2 | -65.8 | -176.4 | 0 | 0 | 0 | 113.5 | F509 L516 M521 S541 R544 L545 | F509-L514 HydrophobicContact CD1-CG 4.49Å; F509-L514 HydrophobicContact CE1-CD1 4.06Å; F509-L514 HydrophobicContact CE1-CG 3.9Å; L514-L516 HydrophobicContact CB-CB 4.26Å; L514-L516 HydrophobicContact CB-CD1 4.02Å; L514-L516 HydrophobicContact CB-CG 3.94Å; L514-L516 HydrophobicContact CD1-CD1 4.1Å; L514-M521 HydrophobicContact CD1-CE 3.85Å; L514-M521 HydrophobicContact CD1-CG 4.35Å; L514-M521 HydrophobicContact CD1-SD 3.32Å; L514-M521 WeakPolarHBondContact CD1-SD 3.45Å; L514-S541 WeakPolarHBondContact CD2-O 3.42Å; L514-R544 HydrophobicContact CD2-CB 3.59Å; L514-R544 PolarHBondContact O-NH1 2.91Å; L514-L545 HydrophobicContact CD1-CD2 3.91Å; L514-L545 HydrophobicContact CD1-CG 4.38Å; L514-L545 HydrophobicContact CD2-CD2 3.99Å; L514-L545 HydrophobicContact CD2-CG 4.2Å; L514-L545 HydrophobicContact CG-CD2 4.2Å |
| 515 | K | 89.9 | Confident | 90.8 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 71% | 0.709 | 30% | 0.298 | S | S | * | . | trans | 60.4 | 46.1 | -172.4 | -53.5 | 177.9 | -175.9 | 178.1 | 0 | 110.9 | S510 | S510-K515 WeakPolarHBondContact O-CA 3.22Å; S510-K515 PolarHBondContact O-N 2.92Å | ||
| 516 | L | 89.1 | Confident | 90.9 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | trans | -121.1 | 165.5 | 179.6 | -66.8 | -179.1 | 0 | 0 | 0 | 111.2 | S510 L514 T520 | S510-L516 CarbonylContact C-O 3.53Å; S510-L516 PolarHBondContact O-N 3.02Å; L514-L516 HydrophobicContact CB-CB 4.26Å; L514-L516 HydrophobicContact CB-CD1 4.02Å; L514-L516 HydrophobicContact CB-CG 3.94Å; L514-L516 HydrophobicContact CD1-CD1 4.1Å; L516-T520 HydrophobicContact CD1-CG2 4.35Å | ||
| 517 | S | 89.5 | Confident | 90.8 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | trans | -70.3 | 150.7 | 168.7 | 89.5 | 0 | 0 | 0 | 0 | 110.8 | G519 T520 M521 | S517-G519 VanDerWaalsContact C-N 3.27Å; S517-G519 PolarHBondContact O-N 2.88Å; S517-T520 PolarHBondContact O-N 3.28Å; S517-T520 PolarHBondContact OG-N 3.36Å; S517-T520 VanDerWaalsContact OG-N 3.08Å; S517-T520 PolarHBondContact OG-OG1 3.29Å; S517-M521 PolarHBondContact O-N 3.31Å | ||
| 518 | Q | 89.5 | Confident | 90.8 | Very high | 96 Ų | 96 | 56.4 Ų | 56.4 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -33.6 | 178 | 172.2 | -88.4 | -16.7 | 0 | 0 | 112.2 | Q506 R507 S510 M521 S522 | Q506-Q518 HydrophobicContact CB-CG 4.39Å; R507-Q518 HydrophobicContact CB-CB 4.35Å; R507-Q518 HydrophobicContact CB-CG 4.15Å; R507-Q518 HydrophobicContact CG-CB 4.45Å; S510-Q518 WeakPolarHBondContact OG-CA 3.36Å; Q518-M521 PolarHBondContact O-N 2.75Å; Q518-S522 WeakPolarHBondContact O-CB 3.37Å; Q518-S522 PolarHBondContact O-N 3.12Å |
| 519 | G | 90.2 | Very high | 90.9 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S517 M521 S522 E523 | S517-G519 VanDerWaalsContact C-N 3.27Å; S517-G519 PolarHBondContact O-N 2.88Å; G519-M521 VanDerWaalsContact C-N 3.28Å; G519-M521 PolarHBondContact O-N 3.35Å; G519-S522 PolarHBondContact O-N 2.88Å; G519-E523 PolarHBondContact O-N 3.23Å |
| 520 | T | 90.5 | Very high | 90.7 | Very high | 68 Ų | 68 | 64 Ų | 64 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 176.2 | -47.3 | 0 | 0 | 0 | 0 | 111.9 | L516 S517 L524 | L516-T520 HydrophobicContact CD1-CG2 4.35Å; S517-T520 PolarHBondContact O-N 3.28Å; S517-T520 PolarHBondContact OG-N 3.36Å; S517-T520 VanDerWaalsContact OG-N 3.08Å; S517-T520 PolarHBondContact OG-OG1 3.29Å; T520-L524 WeakPolarHBondContact O-CB 3.15Å; T520-L524 PolarHBondContact O-N 3Å |
| 521 | M | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 176.3 | 177.5 | 48.5 | 171.9 | 0 | 0 | 112.2 | V495 F509 L514 S517 Q518 G519 E523 L524 L525 L545 | V495-M521 HydrophobicContact CG1-CE 3.96Å; F509-M521 HydrophobicContact CD1-CE 3.6Å; F509-M521 HydrophobicContact CE1-CE 3.53Å; F509-M521 HydrophobicContact CZ-CE 4.46Å; L514-M521 HydrophobicContact CD1-CE 3.85Å; L514-M521 HydrophobicContact CD1-CG 4.35Å; L514-M521 HydrophobicContact CD1-SD 3.32Å; L514-M521 WeakPolarHBondContact CD1-SD 3.45Å; S517-M521 PolarHBondContact O-N 3.31Å; Q518-M521 PolarHBondContact O-N 2.75Å; G519-M521 VanDerWaalsContact C-N 3.28Å; G519-M521 PolarHBondContact O-N 3.35Å; M521-E523 PolarHBondContact O-N 2.82Å; M521-L524 PolarHBondContact O-N 3.47Å; M521-L524 HydrophobicContact SD-CD2 4.41Å; M521-L525 HydrophobicContact CE-CD1 3.38Å; M521-L525 HydrophobicContact CE-CD2 3.87Å; M521-L525 HydrophobicContact CE-CG 3.55Å; M521-L525 HydrophobicContact CG-CD1 4.48Å; M521-L525 PolarHBondContact O-N 3.39Å; M521-L525 HydrophobicContact SD-CD1 4.13Å; M521-L525 HydrophobicContact SD-CD2 4.5Å; M521-L525 HydrophobicContact SD-CG 3.86Å; M521-L545 HydrophobicContact CE-CD2 3.87Å |
| 522 | S | 94.2 | Very high | 90.6 | Very high | 43 Ų | 43 | 64.7 Ų | 64.7 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | Q518 G519 L525 S526 | Q518-S522 WeakPolarHBondContact O-CB 3.37Å; Q518-S522 PolarHBondContact O-N 3.12Å; G519-S522 PolarHBondContact O-N 2.88Å; S522-L525 PolarHBondContact O-N 2.96Å; S522-S526 VanDerWaalsContact O-CB 3.24Å; S522-S526 WeakPolarHBondContact O-CB 3.32Å; S522-S526 PolarHBondContact O-N 3.3Å; S522-S526 PolarHBondContact O-OG 3.21Å |
| 523 | E | 92.2 | Very high | 90.8 | Very high | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 173 | -172.2 | 177.6 | -165.4 | 0 | 0 | 112 | G519 M521 L525 S526 K527 | G519-E523 PolarHBondContact O-N 3.23Å; M521-E523 PolarHBondContact O-N 2.82Å; E523-L525 PolarHBondContact O-N 2.93Å; E523-S526 PolarHBondContact O-N 2.97Å; E523-K527 WeakPolarHBondContact O-CA 3.25Å; E523-K527 PolarHBondContact O-N 3.27Å |
| 524 | L | 93.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 178.3 | -172.5 | 155.5 | 0 | 0 | 0 | 111.9 | T520 M521 Y542 L545 | T520-L524 WeakPolarHBondContact O-CB 3.15Å; T520-L524 PolarHBondContact O-N 3Å; M521-L524 PolarHBondContact O-N 3.47Å; M521-L524 HydrophobicContact SD-CD2 4.41Å; L524-Y542 HydrophobicContact CD1-CE2 4.01Å; L524-Y542 HydrophobicContact CD2-CE1 3.84Å; L524-Y542 HydrophobicContact CD2-CE2 3.93Å; L524-Y542 HydrophobicContact CG-CE2 3.79Å; L524-Y542 PolarHBondContact O-OH 3.3Å; L524-Y542 VanDerWaalsContact O-OH 3.06Å; L524-L545 HydrophobicContact CD2-CD1 3.58Å |
| 525 | L | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77.5 | -35.3 | 178.6 | -72.2 | -178 | 0 | 0 | 0 | 114.3 | A492 V495 R496 L499 M521 S522 E523 L545 | A492-L525 HydrophobicContact CB-CD2 4.11Å; V495-L525 HydrophobicContact CB-CD2 3.91Å; V495-L525 HydrophobicContact CG1-CD1 4.18Å; V495-L525 HydrophobicContact CG1-CD2 3.86Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 3.84Å; R496-L525 HydrophobicContact CG-CD2 4.38Å; R496-L525 HydrophobicContact CG-CG 4.3Å; R496-L525 PolarHBondContact NE-O 2.95Å; L499-L525 HydrophobicContact CD1-CD1 4.15Å; M521-L525 HydrophobicContact CE-CD1 3.38Å; M521-L525 HydrophobicContact CE-CD2 3.87Å; M521-L525 HydrophobicContact CE-CG 3.55Å; M521-L525 HydrophobicContact CG-CD1 4.48Å; M521-L525 PolarHBondContact O-N 3.39Å; M521-L525 HydrophobicContact SD-CD1 4.13Å; M521-L525 HydrophobicContact SD-CD2 4.5Å; M521-L525 HydrophobicContact SD-CG 3.86Å; S522-L525 PolarHBondContact O-N 2.96Å; E523-L525 PolarHBondContact O-N 2.93Å; L525-L545 HydrophobicContact CD2-CD1 4.18Å |
| 526 | S | 92 | Very high | 90.7 | Very high | 72 Ų | 72 | 69 Ų | 69 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -85.7 | -27.6 | -176.8 | 61 | 0 | 0 | 0 | 0 | 113.6 | S522 E523 P528 | S522-S526 VanDerWaalsContact O-CB 3.24Å; S522-S526 WeakPolarHBondContact O-CB 3.32Å; S522-S526 PolarHBondContact O-N 3.3Å; S522-S526 PolarHBondContact O-OG 3.21Å; E523-S526 PolarHBondContact O-N 2.97Å; S526-P528 VanDerWaalsContact C-CD 3.42Å |
| 527 | K | 90.4 | Very high | 90.5 | Very high | 149 Ų | 149 | 76.4 Ų | 76.4 | 65% | 0.648 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -131.9 | 56.2 | -178.7 | -61.9 | 177.3 | -174.7 | 172.5 | 0 | 111.4 | E523 R529 | E523-K527 WeakPolarHBondContact O-CA 3.25Å; E523-K527 PolarHBondContact O-N 3.27Å; K527-R529 PolarHBondContact O-N 3.23Å |
| 528 | P | 91.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 73.9 Ų | 73.9 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -57 | 133.7 | 179.5 | 23.7 | -34.3 | 0 | 0 | 0 | 111.6 | T488 F489 A492 S526 Y542 | T488-P528 WeakPolarHBondContact O-CB 3.23Å; F489-P528 HydrophobicContact CD1-CB 4.24Å; F489-P528 HydrophobicContact CD1-CG 3.61Å; F489-P528 HydrophobicContact CE1-CB 4.46Å; F489-P528 HydrophobicContact CE1-CG 3.99Å; F489-P528 VanDerWaalsContact CE1-O 3.28Å; F489-P528 WeakPolarHBondContact CE1-O 3.21Å; F489-P528 HydrophobicContact CG-CG 4.32Å; F489-P528 WeakPolarHBondContact CZ-O 3.3Å; A492-P528 HydrophobicContact CB-CB 3.8Å; A492-P528 HydrophobicContact CB-CG 3.88Å; S526-P528 VanDerWaalsContact C-CD 3.42Å; P528-Y542 VanDerWaalsContact CA-OH 3.28Å; P528-Y542 WeakPolarHBondContact CA-OH 3.47Å; P528-Y542 HydrophobicContact CB-CE1 4.47Å; P528-Y542 WeakPolarHBondContact CB-OH 3.45Å |
| 529 | R | 90.9 | Very high | 90.7 | Very high | 154 Ų | 154 | 72.7 Ų | 72.7 | 58% | 0.581 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 137.9 | 176.8 | -64.4 | -178.1 | -179.5 | -126.1 | -0.7 | 108.8 | T488 K527 L534 | T488-R529 WeakPolarHBondContact CB-O 3.37Å; T488-R529 PolarHBondContact OG1-O 3.49Å; K527-R529 PolarHBondContact O-N 3.23Å; R529-L534 HydrophobicContact CB-CD2 3.91Å |
| 530 | P | 89.4 | Confident | 90.8 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 146.2 | -179 | 24.9 | -33.8 | 0 | 0 | 0 | 111.4 | T488 F489 Y532 R533 L534 | T488-P530 WeakPolarHBondContact OG1-CA 3.38Å; F489-P530 HydrophobicContact CE2-CB 4.09Å; P530-Y532 VanDerWaalsContact C-N 3.26Å; P530-Y532 HydrophobicContact CB-CD1 4.09Å; P530-Y532 HydrophobicContact CB-CE1 3.55Å; P530-Y532 HydrophobicContact CG-CE1 4.06Å; P530-Y532 HydrophobicContact CG-CE2 4.27Å; P530-Y532 PolarHBondContact O-N 2.81Å; P530-R533 HydrophobicContact CG-CB 4.18Å; P530-R533 HydrophobicContact CG-CG 4.23Å; P530-R533 WeakPolarHBondContact O-CA 3.24Å; P530-R533 PolarHBondContact O-N 3.4Å; P530-L534 PolarHBondContact O-N 2.99Å |
| 531 | W | 91.4 | Very high | 91 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -43 | -43.6 | -172.9 | -175.5 | -111.4 | 0 | 0 | 0 | 115.8 | I483 P485 L486 T488 R533 L534 R539 R543 | I483-W531 HydrophobicContact CG2-CZ2 4.09Å; P485-W531 VanDerWaalsContact CA-CD1 3.49Å; P485-W531 HydrophobicContact CB-CG 4.29Å; L486-W531 HydrophobicContact CB-CD2 4.31Å; L486-W531 HydrophobicContact CB-CE3 3.91Å; L486-W531 HydrophobicContact CB-CH2 4.37Å; L486-W531 HydrophobicContact CB-CZ3 3.97Å; L486-W531 HydrophobicContact CD1-CH2 3.72Å; L486-W531 HydrophobicContact CD1-CZ2 4.49Å; L486-W531 HydrophobicContact CD1-CZ3 3.77Å; L486-W531 HydrophobicContact CG-CH2 4.14Å; L486-W531 HydrophobicContact CG-CZ2 4.48Å; L486-W531 HydrophobicContact CG-CZ3 4.19Å; T488-W531 HydrophobicContact CG2-CB 4.24Å; T488-W531 HydrophobicContact CG2-CE3 4.13Å; W531-R533 VanDerWaalsContact C-N 3.33Å; W531-R533 PolarHBondContact O-N 3.39Å; W531-L534 HydrophobicContact CE3-CD1 4.27Å; W531-L534 PolarHBondContact O-N 2.81Å; W531-R539 HydrophobicContact CD2-CG 3.85Å; W531-R539 HydrophobicContact CE3-CB 4.16Å; W531-R539 HydrophobicContact CE3-CG 3.66Å; W531-R539 HydrophobicContact CH2-CB 3.64Å; W531-R539 HydrophobicContact CH2-CG 3.87Å; W531-R539 HydrophobicContact CZ2-CB 4.19Å; W531-R539 VanDerWaalsContact CZ2-CD 3.48Å; W531-R539 HydrophobicContact CZ2-CG 4.05Å; W531-R539 HydrophobicContact CZ3-CB 3.61Å; W531-R539 HydrophobicContact CZ3-CG 3.65Å; W531-R539 PolarHBondContact O-NH1 3.09Å; W531-R543 HydrophobicContact CH2-CG 3.94Å |
| 532 | Y | 89.3 | Confident | 91.1 | Very high | 160 Ų | 160 | 71.5 Ų | 71.5 | 63% | 0.627 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -73.2 | -19 | -179.4 | 58.2 | -91 | 0 | 0 | 0 | 114 | P530 | P530-Y532 VanDerWaalsContact C-N 3.26Å; P530-Y532 HydrophobicContact CB-CD1 4.09Å; P530-Y532 HydrophobicContact CB-CE1 3.55Å; P530-Y532 HydrophobicContact CG-CE1 4.06Å; P530-Y532 HydrophobicContact CG-CE2 4.27Å; P530-Y532 PolarHBondContact O-N 2.81Å |
| 533 | R | 89.4 | Confident | 91.1 | Very high | 166 Ų | 166 | 73.1 Ų | 73.1 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -96.8 | 4.8 | 173.3 | -68.6 | -173.8 | 174.1 | 178.1 | -1.1 | 113.8 | P530 W531 | P530-R533 HydrophobicContact CG-CB 4.18Å; P530-R533 HydrophobicContact CG-CG 4.23Å; P530-R533 WeakPolarHBondContact O-CA 3.24Å; P530-R533 PolarHBondContact O-N 3.4Å; W531-R533 VanDerWaalsContact C-N 3.33Å; W531-R533 PolarHBondContact O-N 3.39Å |
| 534 | L | 89.5 | Confident | 91.2 | Very high | 24 Ų | 24 | 73.9 Ų | 73.9 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -83.9 | 150 | 170.3 | -67.1 | 174.9 | 0 | 0 | 0 | 111 | T488 R529 P530 W531 R539 Y542 | T488-L534 HydrophobicContact CG2-CD1 3.73Å; R529-L534 HydrophobicContact CB-CD2 3.91Å; P530-L534 PolarHBondContact O-N 2.99Å; W531-L534 HydrophobicContact CE3-CD1 4.27Å; W531-L534 PolarHBondContact O-N 2.81Å; L534-R539 HydrophobicContact CB-CG 3.78Å; L534-R539 HydrophobicContact CD1-CG 4.09Å; L534-R539 PolarHBondContact O-NH1 2.8Å; L534-Y542 HydrophobicContact CD1-CD2 3.41Å; L534-Y542 VanDerWaalsContact CD1-CD2 3.41Å; L534-Y542 HydrophobicContact CD1-CE2 3.64Å; L534-Y542 HydrophobicContact CD1-CG 4.28Å; L534-Y542 HydrophobicContact CD2-CD2 4.47Å; L534-Y542 HydrophobicContact CD2-CE2 3.98Å; L534-Y542 HydrophobicContact CG-CE2 4.48Å |
| 535 | T | 91 | Very high | 91.2 | Very high | 100 Ų | 100 | 72.8 Ų | 72.8 | 61% | 0.613 | 34% | 0.335 | S | S | * | . | trans | -72.1 | 165.9 | 161.3 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | R537 G538 R539 | T535-R537 VanDerWaalsContact C-N 3.3Å; T535-R537 PolarHBondContact O-N 2.91Å; T535-G538 CarbonylContact O-C 3.13Å; T535-G538 WeakPolarHBondContact O-CA 3.46Å; T535-G538 PolarHBondContact O-N 3.2Å; T535-G538 PolarHBondContact OG1-N 3.26Å; T535-G538 VanDerWaalsContact OG1-N 3.17Å; T535-R539 PolarHBondContact O-N 2.93Å | ||
| 536 | A | 85.3 | Confident | 91.2 | Very high | 60 Ų | 60 | 76.5 Ų | 76.5 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.7 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G538 R539 D540 | A536-G538 VanDerWaalsContact C-N 3.27Å; A536-G538 PolarHBondContact O-N 2.77Å; A536-R539 WeakPolarHBondContact O-CB 3.21Å; A536-R539 PolarHBondContact O-N 2.67Å; A536-R539 VanDerWaalsContact O-N 3.08Å; A536-D540 VanDerWaalsContact O-CG 3.31Å; A536-D540 PolarHBondContact O-N 3.3Å |
| 537 | R | 83.3 | Confident | 91.2 | Very high | 191 Ų | 191 | 76 Ų | 76 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -30.4 | 175 | -173.8 | 176.2 | 178.8 | 179.8 | -0.2 | 113.5 | T535 S541 | T535-R537 VanDerWaalsContact C-N 3.3Å; T535-R537 PolarHBondContact O-N 2.91Å; R537-S541 PolarHBondContact O-N 2.82Å; R537-S541 PolarHBondContact O-OG 3.39Å; R537-S541 VanDerWaalsContact O-OG 3.12Å |
| 538 | G | 90 | Very high | 91.3 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -50.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T535 A536 D540 S541 Y542 | T535-G538 CarbonylContact O-C 3.13Å; T535-G538 WeakPolarHBondContact O-CA 3.46Å; T535-G538 PolarHBondContact O-N 3.2Å; T535-G538 PolarHBondContact OG1-N 3.26Å; T535-G538 VanDerWaalsContact OG1-N 3.17Å; A536-G538 VanDerWaalsContact C-N 3.27Å; A536-G538 PolarHBondContact O-N 2.77Å; G538-D540 VanDerWaalsContact C-N 3.3Å; G538-D540 PolarHBondContact O-N 3.31Å; G538-S541 WeakPolarHBondContact O-CB 3.34Å; G538-S541 PolarHBondContact O-N 3.45Å; G538-Y542 WeakPolarHBondContact O-CD2 3.23Å; G538-Y542 PolarHBondContact O-N 2.8Å |
| 539 | R | 94.2 | Very high | 91.4 | Very high | 70 Ų | 70 | 70.7 Ų | 70.7 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 175.9 | -71.1 | -166.6 | -86.9 | -81.8 | 0.6 | 112.6 | W531 L534 T535 A536 S541 Y542 R543 | W531-R539 HydrophobicContact CD2-CG 3.85Å; W531-R539 HydrophobicContact CE3-CB 4.16Å; W531-R539 HydrophobicContact CE3-CG 3.66Å; W531-R539 HydrophobicContact CH2-CB 3.64Å; W531-R539 HydrophobicContact CH2-CG 3.87Å; W531-R539 HydrophobicContact CZ2-CB 4.19Å; W531-R539 VanDerWaalsContact CZ2-CD 3.48Å; W531-R539 HydrophobicContact CZ2-CG 4.05Å; W531-R539 HydrophobicContact CZ3-CB 3.61Å; W531-R539 HydrophobicContact CZ3-CG 3.65Å; W531-R539 PolarHBondContact O-NH1 3.09Å; L534-R539 HydrophobicContact CB-CG 3.78Å; L534-R539 HydrophobicContact CD1-CG 4.09Å; L534-R539 PolarHBondContact O-NH1 2.8Å; T535-R539 PolarHBondContact O-N 2.93Å; A536-R539 WeakPolarHBondContact O-CB 3.21Å; A536-R539 PolarHBondContact O-N 2.67Å; A536-R539 VanDerWaalsContact O-N 3.08Å; R539-S541 PolarHBondContact O-N 3.5Å; R539-Y542 PolarHBondContact O-N 3.26Å; R539-Y542 VanDerWaalsContact O-N 3.15Å; R539-R543 PolarHBondContact O-N 2.82Å |
| 540 | D | 92.6 | Very high | 91.4 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -31.5 | 175.4 | -64.3 | -34.7 | 0 | 0 | 0 | 113.5 | A536 G538 R543 R544 | A536-D540 VanDerWaalsContact O-CG 3.31Å; A536-D540 PolarHBondContact O-N 3.3Å; G538-D540 VanDerWaalsContact C-N 3.3Å; G538-D540 PolarHBondContact O-N 3.31Å; D540-R543 IonicContact OD1-CZ 3.7Å; D540-R543 IonicContact OD1-NE 3.49Å; D540-R543 PolarHBondContact OD1-NE 3.42Å; D540-R543 IonicContact OD1-NH2 2.67Å; D540-R543 PolarHBondContact OD1-NH2 2.82Å; D540-R544 WeakPolarHBondContact O-CG 3.37Å; D540-R544 PolarHBondContact O-N 2.78Å; D540-R544 VanDerWaalsContact O-N 3.14Å |
| 541 | S | 93.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 68.9 Ų | 68.9 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70 | -41 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 111 | L514 R537 G538 R539 R544 L545 | L514-S541 WeakPolarHBondContact CD2-O 3.42Å; R537-S541 PolarHBondContact O-N 2.82Å; R537-S541 PolarHBondContact O-OG 3.39Å; R537-S541 VanDerWaalsContact O-OG 3.12Å; G538-S541 WeakPolarHBondContact O-CB 3.34Å; G538-S541 PolarHBondContact O-N 3.45Å; R539-S541 PolarHBondContact O-N 3.5Å; S541-R544 PolarHBondContact O-N 3.41Å; S541-L545 WeakPolarHBondContact O-CG 3.35Å; S541-L545 PolarHBondContact O-N 3.03Å |
| 542 | Y | 95.9 | Very high | 91 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.5 | -34.3 | 175 | -75 | -88.5 | 0 | 0 | 0 | 113.3 | T488 I491 A492 L524 P528 L534 G538 R539 R544 L545 Q546 | T488-Y542 HydrophobicContact CG2-CD1 3.87Å; T488-Y542 HydrophobicContact CG2-CD2 4.17Å; T488-Y542 HydrophobicContact CG2-CE1 4.04Å; T488-Y542 HydrophobicContact CG2-CE2 4.35Å; T488-Y542 HydrophobicContact CG2-CG 3.93Å; T488-Y542 VanDerWaalsContact O-CE1 3.24Å; T488-Y542 WeakPolarHBondContact O-CE1 3.47Å; I491-Y542 HydrophobicContact CB-CD1 4.26Å; I491-Y542 HydrophobicContact CG2-CD1 3.9Å; A492-Y542 HydrophobicContact CB-CE1 4.37Å; L524-Y542 HydrophobicContact CD1-CE2 4.01Å; L524-Y542 HydrophobicContact CD2-CE1 3.84Å; L524-Y542 HydrophobicContact CD2-CE2 3.93Å; L524-Y542 HydrophobicContact CG-CE2 3.79Å; L524-Y542 PolarHBondContact O-OH 3.3Å; L524-Y542 VanDerWaalsContact O-OH 3.06Å; P528-Y542 VanDerWaalsContact CA-OH 3.28Å; P528-Y542 WeakPolarHBondContact CA-OH 3.47Å; P528-Y542 HydrophobicContact CB-CE1 4.47Å; P528-Y542 WeakPolarHBondContact CB-OH 3.45Å; L534-Y542 HydrophobicContact CD1-CD2 3.41Å; L534-Y542 VanDerWaalsContact CD1-CD2 3.41Å; L534-Y542 HydrophobicContact CD1-CE2 3.64Å; L534-Y542 HydrophobicContact CD1-CG 4.28Å; L534-Y542 HydrophobicContact CD2-CD2 4.47Å; L534-Y542 HydrophobicContact CD2-CE2 3.98Å; L534-Y542 HydrophobicContact CG-CE2 4.48Å; G538-Y542 WeakPolarHBondContact O-CD2 3.23Å; G538-Y542 PolarHBondContact O-N 2.8Å; R539-Y542 PolarHBondContact O-N 3.26Å; R539-Y542 VanDerWaalsContact O-N 3.15Å; Y542-R544 VanDerWaalsContact C-N 3.33Å; Y542-R544 PolarHBondContact O-N 3.4Å; Y542-L545 HydrophobicContact CD1-CD1 4.38Å; Y542-L545 PolarHBondContact O-N 2.82Å; Y542-Q546 PolarHBondContact O-N 2.88Å |
| 543 | R | 94.4 | Very high | 90.8 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 171 | -74.1 | -170.7 | -86.3 | -125.8 | 7.6 | 111.9 | I483 L486 W531 R539 D540 Q546 A547 | I483-R543 VanDerWaalsContact CD1-NH1 3.3Å; L486-R543 HydrophobicContact CD1-CG 4.04Å; W531-R543 HydrophobicContact CH2-CG 3.94Å; R539-R543 PolarHBondContact O-N 2.82Å; D540-R543 IonicContact OD1-CZ 3.7Å; D540-R543 IonicContact OD1-NE 3.49Å; D540-R543 PolarHBondContact OD1-NE 3.42Å; D540-R543 IonicContact OD1-NH2 2.67Å; D540-R543 PolarHBondContact OD1-NH2 2.82Å; R543-Q546 PolarHBondContact O-N 3.22Å; R543-A547 WeakPolarHBondContact O-CB 3.3Å; R543-A547 PolarHBondContact O-N 2.9Å |
| 544 | R | 93.3 | Very high | 90.8 | Very high | 126 Ų | 126 | 63.5 Ų | 63.5 | 48% | 0.475 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 174.4 | -71.9 | 178.4 | -174.5 | 173.7 | 3.9 | 113.3 | L514 D540 S541 Y542 W548 | L514-R544 HydrophobicContact CD2-CB 3.59Å; L514-R544 PolarHBondContact O-NH1 2.91Å; D540-R544 WeakPolarHBondContact O-CG 3.37Å; D540-R544 PolarHBondContact O-N 2.78Å; D540-R544 VanDerWaalsContact O-N 3.14Å; S541-R544 PolarHBondContact O-N 3.41Å; Y542-R544 VanDerWaalsContact C-N 3.33Å; Y542-R544 PolarHBondContact O-N 3.4Å; R544-W548 WeakPolarHBondContact O-CB 3.47Å; R544-W548 PolarHBondContact O-N 3.35Å; R544-W548 VanDerWaalsContact O-N 3.15Å |
| 545 | L | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -52 | 171.7 | -73.7 | -172.9 | 0 | 0 | 0 | 111.1 | I491 V495 F509 L514 M521 L524 L525 S541 Y542 A547 W548 I549 | I491-L545 HydrophobicContact CG2-CB 3.47Å; I491-L545 VanDerWaalsContact CG2-CB 3.47Å; I491-L545 HydrophobicContact CG2-CD1 3.99Å; I491-L545 HydrophobicContact CG2-CG 4.39Å; V495-L545 HydrophobicContact CG1-CD2 4.02Å; V495-L545 HydrophobicContact CG2-CB 4.15Å; V495-L545 HydrophobicContact CG2-CD1 4.27Å; V495-L545 HydrophobicContact CG2-CD2 3.93Å; V495-L545 HydrophobicContact CG2-CG 4.34Å; F509-L545 HydrophobicContact CE1-CD2 3.45Å; F509-L545 VanDerWaalsContact CE1-CD2 3.45Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; L514-L545 HydrophobicContact CD1-CD2 3.91Å; L514-L545 HydrophobicContact CD1-CG 4.38Å; L514-L545 HydrophobicContact CD2-CD2 3.99Å; L514-L545 HydrophobicContact CD2-CG 4.2Å; L514-L545 HydrophobicContact CG-CD2 4.2Å; M521-L545 HydrophobicContact CE-CD2 3.87Å; L524-L545 HydrophobicContact CD2-CD1 3.58Å; L525-L545 HydrophobicContact CD2-CD1 4.18Å; S541-L545 WeakPolarHBondContact O-CG 3.35Å; S541-L545 PolarHBondContact O-N 3.03Å; Y542-L545 HydrophobicContact CD1-CD1 4.38Å; Y542-L545 PolarHBondContact O-N 2.82Å; L545-A547 PolarHBondContact O-N 3.42Å; L545-W548 PolarHBondContact O-N 3.24Å; L545-W548 VanDerWaalsContact O-N 3.15Å; L545-I549 VanDerWaalsContact O-CG1 3.24Å; L545-I549 WeakPolarHBondContact O-CG1 3.41Å; L545-I549 PolarHBondContact O-N 3.06Å |
| 546 | Q | 93.6 | Very high | 90.3 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 179 | -172 | -166.7 | 11.7 | 0 | 0 | 111.9 | I491 Y542 R543 W548 I549 S550 | I491-Q546 HydrophobicContact CD1-CB 4.18Å; Y542-Q546 PolarHBondContact O-N 2.88Å; R543-Q546 PolarHBondContact O-N 3.22Å; Q546-W548 PolarHBondContact O-N 2.95Å; Q546-I549 PolarHBondContact O-N 2.93Å; Q546-I549 VanDerWaalsContact O-N 3.12Å; Q546-S550 WeakPolarHBondContact O-CB 3.38Å; Q546-S550 PolarHBondContact O-N 3.46Å; Q546-S550 PolarHBondContact O-OG 2.61Å |
| 547 | A | 91.9 | Very high | 90.3 | Very high | 63 Ų | 63 | 62 Ų | 62 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -33.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R543 L545 | R543-A547 WeakPolarHBondContact O-CB 3.3Å; R543-A547 PolarHBondContact O-N 2.9Å; L545-A547 PolarHBondContact O-N 3.42Å |
| 548 | W | 92.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.9 | -37.4 | 174.2 | 177.9 | 83 | 0 | 0 | 0 | 113.4 | V495 L498 F509 I513 R544 L545 Q546 S550 N554 V555 | V495-W548 HydrophobicContact CG2-CE3 4.43Å; V495-W548 HydrophobicContact CG2-CZ3 4.43Å; L498-W548 HydrophobicContact CB-CH2 3.99Å; L498-W548 HydrophobicContact CB-CZ3 4.07Å; L498-W548 HydrophobicContact CD1-CH2 4.22Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; F509-W548 HydrophobicContact CD2-CH2 4.38Å; F509-W548 HydrophobicContact CD2-CZ2 4.18Å; F509-W548 AromaticContact CE2-CD2 3.45Å; F509-W548 HydrophobicContact CE2-CD2 3.45Å; F509-W548 VanDerWaalsContact CE2-CD2 3.45Å; F509-W548 AromaticContact CE2-CE2 3.52Å; F509-W548 AromaticContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CE3 3.56Å; F509-W548 HydrophobicContact CE2-CG 4.09Å; F509-W548 AromaticContact CE2-CH2 3.79Å; F509-W548 HydrophobicContact CE2-CH2 3.79Å; F509-W548 AromaticContact CE2-CZ2 3.7Å; F509-W548 HydrophobicContact CE2-CZ2 3.7Å; F509-W548 AromaticContact CE2-CZ3 3.71Å; F509-W548 HydrophobicContact CE2-CZ3 3.71Å; F509-W548 AromaticContact CZ-CD2 3.93Å; F509-W548 HydrophobicContact CZ-CD2 3.93Å; F509-W548 AromaticContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CE3 3.91Å; F509-W548 HydrophobicContact CZ-CG 4.26Å; F509-W548 HydrophobicContact CZ-CZ3 4.37Å; I513-W548 HydrophobicContact CD1-CD2 4.35Å; I513-W548 HydrophobicContact CD1-CG 4.02Å; I513-W548 VanDerWaalsContact CD1-NE1 3.28Å; I513-W548 HydrophobicContact CG2-CB 4.3Å; I513-W548 HydrophobicContact CG2-CG 4.4Å; R544-W548 WeakPolarHBondContact O-CB 3.47Å; R544-W548 PolarHBondContact O-N 3.35Å; R544-W548 VanDerWaalsContact O-N 3.15Å; L545-W548 PolarHBondContact O-N 3.24Å; L545-W548 VanDerWaalsContact O-N 3.15Å; Q546-W548 PolarHBondContact O-N 2.95Å; W548-S550 VanDerWaalsContact C-N 3.26Å; W548-S550 PolarHBondContact O-N 3.31Å; W548-N554 HydrophobicContact CG-CB 4.22Å; W548-V555 HydrophobicContact CH2-CG2 4.03Å; W548-V555 HydrophobicContact CZ2-CG2 3.8Å |
| 549 | I | 93.7 | Very high | 90 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 174.4 | -61 | 158.8 | 0 | 0 | 0 | 110.8 | I491 T494 V495 L498 L545 Q546 D551 | I491-I549 HydrophobicContact CB-CD1 4.48Å; I491-I549 HydrophobicContact CG2-CD1 3.98Å; T494-I549 HydrophobicContact CG2-CG2 3.8Å; V495-I549 HydrophobicContact CG2-CD1 3.52Å; V495-I549 HydrophobicContact CG2-CG1 3.62Å; L498-I549 HydrophobicContact CD1-CG1 4.36Å; L498-I549 HydrophobicContact CD1-CG2 4.22Å; L545-I549 VanDerWaalsContact O-CG1 3.24Å; L545-I549 WeakPolarHBondContact O-CG1 3.41Å; L545-I549 PolarHBondContact O-N 3.06Å; Q546-I549 PolarHBondContact O-N 2.93Å; Q546-I549 VanDerWaalsContact O-N 3.12Å; I549-D551 VanDerWaalsContact C-N 3.28Å; I549-D551 PolarHBondContact O-N 2.91Å |
| 550 | S | 90.6 | Very high | 89.2 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.5 | -170.4 | -58.8 | 0 | 0 | 0 | 0 | 114.1 | Q546 W548 | Q546-S550 WeakPolarHBondContact O-CB 3.38Å; Q546-S550 PolarHBondContact O-N 3.46Å; Q546-S550 PolarHBondContact O-OG 2.61Å; W548-S550 VanDerWaalsContact C-N 3.26Å; W548-S550 PolarHBondContact O-N 3.31Å |
| 551 | D | 88.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | trans | -122.1 | 114.7 | 173.8 | 158.6 | 41 | 0 | 0 | 0 | 110.1 | I549 N553 N554 | I549-D551 VanDerWaalsContact C-N 3.28Å; I549-D551 PolarHBondContact O-N 2.91Å; D551-N553 PolarHBondContact O-N 3.2Å; D551-N553 VanDerWaalsContact OD1-CB 3.25Å; D551-N553 WeakPolarHBondContact OD1-CB 3.49Å; D551-N553 PolarHBondContact OD1-N 3.48Å; D551-N553 PolarHBondContact OD1-ND2 3.25Å; D551-N554 VanDerWaalsContact CB-ND2 3.33Å; D551-N554 WeakPolarHBondContact CB-ND2 3.43Å; D551-N554 PolarHBondContact O-N 2.86Å; D551-N554 PolarHBondContact O-ND2 3.3Å; D551-N554 PolarHBondContact OD2-ND2 3.04Å | ||
| 552 | P | 82.9 | Confident | 87.2 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.4 | -177.8 | 28.8 | -35.6 | 0 | 0 | 0 | 113.1 | N554 V555 | P552-N554 PolarHBondContact O-N 3.29Å; P552-V555 VanDerWaalsContact O-CB 3.31Å; P552-V555 WeakPolarHBondContact O-CB 3.21Å; P552-V555 PolarHBondContact O-N 2.93Å; P552-V555 VanDerWaalsContact O-N 3.1Å |
| 553 | N | 86.5 | Confident | 85.4 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -29.7 | 179.3 | -62.6 | -67.6 | 0 | 0 | 0 | 111.9 | D551 V555 N556 S557 | D551-N553 PolarHBondContact O-N 3.2Å; D551-N553 VanDerWaalsContact OD1-CB 3.25Å; D551-N553 WeakPolarHBondContact OD1-CB 3.49Å; D551-N553 PolarHBondContact OD1-N 3.48Å; D551-N553 PolarHBondContact OD1-ND2 3.25Å; N553-V555 PolarHBondContact O-N 3.07Å; N553-V555 VanDerWaalsContact O-N 3.1Å; N553-N556 WeakPolarHBondContact O-CA 3.4Å; N553-N556 WeakPolarHBondContact O-CB 3.39Å; N553-N556 PolarHBondContact O-N 2.86Å; N553-S557 PolarHBondContact O-N 2.58Å; N553-S557 PolarHBondContact O-OG 2.89Å; N553-S557 VanDerWaalsContact O-OG 3.1Å |
| 554 | N | 88.1 | Confident | 83.4 | Confident | 53 Ų | 53 | 73 Ų | 73 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -25.1 | 175.2 | -64.7 | -75 | 0 | 0 | 0 | 114 | W548 D551 P552 L558 | W548-N554 HydrophobicContact CG-CB 4.22Å; D551-N554 VanDerWaalsContact CB-ND2 3.33Å; D551-N554 WeakPolarHBondContact CB-ND2 3.43Å; D551-N554 PolarHBondContact O-N 2.86Å; D551-N554 PolarHBondContact O-ND2 3.3Å; D551-N554 PolarHBondContact OD2-ND2 3.04Å; P552-N554 PolarHBondContact O-N 3.29Å; N554-L558 WeakPolarHBondContact O-CB 3.08Å; N554-L558 PolarHBondContact O-N 3.1Å |
| 555 | V | 87.3 | Confident | 81.5 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | H502 I504 W548 P552 N553 L558 K559 | H502-V555 HydrophobicContact CB-CG1 3.89Å; H502-V555 WeakPolarHBondContact CD2-CG1 3.28Å; I504-V555 HydrophobicContact CD1-CG1 3.9Å; W548-V555 HydrophobicContact CH2-CG2 4.03Å; W548-V555 HydrophobicContact CZ2-CG2 3.8Å; P552-V555 VanDerWaalsContact O-CB 3.31Å; P552-V555 WeakPolarHBondContact O-CB 3.21Å; P552-V555 PolarHBondContact O-N 2.93Å; P552-V555 VanDerWaalsContact O-N 3.1Å; N553-V555 PolarHBondContact O-N 3.07Å; N553-V555 VanDerWaalsContact O-N 3.1Å; V555-L558 PolarHBondContact O-N 2.82Å; V555-K559 WeakPolarHBondContact O-CG 3.44Å; V555-K559 PolarHBondContact O-N 2.8Å |
| 556 | N | 84.2 | Confident | 79.3 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | -178.1 | -65.7 | -23.6 | 0 | 0 | 0 | 111.2 | N553 L558 K559 N560 | N553-N556 WeakPolarHBondContact O-CA 3.4Å; N553-N556 WeakPolarHBondContact O-CB 3.39Å; N553-N556 PolarHBondContact O-N 2.86Å; N556-L558 PolarHBondContact O-N 3.43Å; N556-K559 PolarHBondContact O-N 3.31Å; N556-N560 WeakPolarHBondContact O-CB 3.31Å; N556-N560 PolarHBondContact O-N 3.13Å; N556-N560 PolarHBondContact O-OD1 2.9Å |
| 557 | S | 85 | Confident | 76.8 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.7 | -39.2 | 171.6 | -44.5 | 0 | 0 | 0 | 0 | 112.1 | N553 T561 | N553-S557 PolarHBondContact O-N 2.58Å; N553-S557 PolarHBondContact O-OG 2.89Å; N553-S557 VanDerWaalsContact O-OG 3.1Å; S557-T561 WeakPolarHBondContact O-CB 3.21Å; S557-T561 PolarHBondContact O-N 3.34Å; S557-T561 PolarHBondContact O-OG1 2.99Å |
| 558 | L | 83.6 | Confident | 74.8 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -74.8 | -36.5 | 178.6 | -170.1 | 60.9 | 0 | 0 | 0 | 112.7 | I504 Q508 F509 H512 I513 N554 V555 N556 T561 Q562 | I504-L558 HydrophobicContact CD1-CB 4.48Å; I504-L558 HydrophobicContact CD1-CD2 4.19Å; I504-L558 HydrophobicContact CD1-CG 4.5Å; I504-L558 HydrophobicContact CG2-CD2 3.5Å; I504-L558 HydrophobicContact CG2-CG 4.11Å; Q508-L558 HydrophobicContact CG-CD1 4.04Å; F509-L558 HydrophobicContact CB-CD2 4.35Å; F509-L558 HydrophobicContact CD2-CD2 3.86Å; H512-L558 HydrophobicContact CB-CD1 4.25Å; I513-L558 HydrophobicContact CD1-CD2 3.76Å; N554-L558 WeakPolarHBondContact O-CB 3.08Å; N554-L558 PolarHBondContact O-N 3.1Å; V555-L558 PolarHBondContact O-N 2.82Å; N556-L558 PolarHBondContact O-N 3.43Å; L558-T561 WeakPolarHBondContact O-CB 3.16Å; L558-T561 PolarHBondContact O-N 2.87Å; L558-Q562 PolarHBondContact O-N 3.47Å; L558-Q562 VanDerWaalsContact O-N 3.12Å |
| 559 | K | 82.4 | Confident | 72.3 | Confident | 74 Ų | 74 | 83.6 Ų | 83.6 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 169.5 | -74.7 | 179.4 | 179.3 | 176.9 | 0 | 111.9 | I504 V555 N556 T561 Q562 R563 | I504-K559 HydrophobicContact CD1-CG 4.31Å; I504-K559 HydrophobicContact CG1-CG 4.48Å; V555-K559 WeakPolarHBondContact O-CG 3.44Å; V555-K559 PolarHBondContact O-N 2.8Å; N556-K559 PolarHBondContact O-N 3.31Å; K559-T561 VanDerWaalsContact C-N 3.28Å; K559-T561 PolarHBondContact O-N 3.29Å; K559-Q562 CarbonylContact O-C 3.27Å; K559-Q562 WeakPolarHBondContact O-CA 3.33Å; K559-Q562 WeakPolarHBondContact O-CB 3.46Å; K559-Q562 PolarHBondContact O-N 3.27Å; K559-R563 PolarHBondContact O-N 3.41Å |
| 560 | N | 78.3 | Confident | 69.5 | Low | 101 Ų | 101 | 88 Ų | 88 | 54% | 0.54 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 178.4 | -65.6 | -2.1 | 0 | 0 | 0 | 110.9 | N556 Q562 R563 R564 | N556-N560 WeakPolarHBondContact O-CB 3.31Å; N556-N560 PolarHBondContact O-N 3.13Å; N556-N560 PolarHBondContact O-OD1 2.9Å; N560-Q562 PolarHBondContact O-N 3.14Å; N560-R563 PolarHBondContact O-N 2.64Å; N560-R564 WeakPolarHBondContact O-CB 3.42Å; N560-R564 WeakPolarHBondContact O-CG 3.46Å; N560-R564 PolarHBondContact O-N 3.16Å |
| 561 | T | 75.7 | Confident | 66.7 | Low | 51 Ų | 51 | 88.8 Ų | 88.8 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -14.3 | 170.5 | -57 | 0 | 0 | 0 | 0 | 113.7 | Q508 S557 L558 K559 R565 | Q508-T561 PolarHBondContact NE2-O 3.15Å; S557-T561 WeakPolarHBondContact O-CB 3.21Å; S557-T561 PolarHBondContact O-N 3.34Å; S557-T561 PolarHBondContact O-OG1 2.99Å; L558-T561 WeakPolarHBondContact O-CB 3.16Å; L558-T561 PolarHBondContact O-N 2.87Å; K559-T561 VanDerWaalsContact C-N 3.28Å; K559-T561 PolarHBondContact O-N 3.29Å; T561-R565 PolarHBondContact O-NH1 3.38Å; T561-R565 VanDerWaalsContact O-NH1 3.13Å |
| 562 | Q | 67.7 | Low | 64 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -88.4 | -50.2 | 171 | -161.8 | 163.5 | -71.7 | 0 | 0 | 110.8 | L558 K559 N560 R565 N566 | L558-Q562 PolarHBondContact O-N 3.47Å; L558-Q562 VanDerWaalsContact O-N 3.12Å; K559-Q562 CarbonylContact O-C 3.27Å; K559-Q562 WeakPolarHBondContact O-CA 3.33Å; K559-Q562 WeakPolarHBondContact O-CB 3.46Å; K559-Q562 PolarHBondContact O-N 3.27Å; N560-Q562 PolarHBondContact O-N 3.14Å; Q562-R565 WeakPolarHBondContact O-CB 3.09Å; Q562-R565 PolarHBondContact O-N 3.46Å; Q562-R565 VanDerWaalsContact O-N 3.09Å; Q562-N566 PolarHBondContact O-N 2.76Å |
| 563 | R | 58.6 | Low | 61.4 | Low | 185 Ų | 185 | 90.5 Ų | 90.5 | 70% | 0.698 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56 | -51.6 | 176 | -80.2 | -165.1 | 173.7 | -156.3 | -0.6 | 113.2 | K559 N560 R565 N566 E567 | K559-R563 PolarHBondContact O-N 3.41Å; N560-R563 PolarHBondContact O-N 2.64Å; R563-R565 PolarHBondContact O-N 3.16Å; R563-N566 PolarHBondContact O-N 2.8Å; R563-E567 VanDerWaalsContact C-OE1 3.31Å; R563-E567 PolarHBondContact O-N 2.8Å |
| 564 | R | 52.7 | Low | 58.6 | Low | 184 Ų | 184 | 94.4 Ų | 94.4 | 69% | 0.694 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -49.9 | -26.5 | 174.8 | -74.6 | -79.7 | -155.8 | 161.4 | 4.1 | 113.9 | N560 E567 T568 | N560-R564 WeakPolarHBondContact O-CB 3.42Å; N560-R564 WeakPolarHBondContact O-CG 3.46Å; N560-R564 PolarHBondContact O-N 3.16Å; R564-E567 WeakPolarHBondContact CA-OE2 3.26Å; R564-T568 WeakPolarHBondContact O-CG2 3.17Å; R564-T568 PolarHBondContact O-N 2.67Å; R564-T568 PolarHBondContact O-OG1 3.46Å; R564-T568 VanDerWaalsContact O-OG1 3.13Å |
| 565 | R | 52.5 | Low | 55.7 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -82.6 | -31.5 | 176.9 | -96.9 | -175.9 | -171.6 | 75.9 | 9.6 | 114.1 | T561 Q562 R563 T568 N569 | T561-R565 PolarHBondContact O-NH1 3.38Å; T561-R565 VanDerWaalsContact O-NH1 3.13Å; Q562-R565 WeakPolarHBondContact O-CB 3.09Å; Q562-R565 PolarHBondContact O-N 3.46Å; Q562-R565 VanDerWaalsContact O-N 3.09Å; R563-R565 PolarHBondContact O-N 3.16Å; R565-T568 WeakPolarHBondContact CA-OG1 3.47Å; R565-T568 PolarHBondContact O-OG1 3.14Å; R565-N569 PolarHBondContact O-N 3.47Å; R565-N569 PolarHBondContact O-ND2 3.42Å |
| 566 | N | 49.5 | Very low | 52.9 | Low | 101 Ų | 101 | 105.4 Ų | 105.4 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.1 | -46.9 | 176.4 | -67.3 | 11.8 | 0 | 0 | 0 | 109.1 | Q562 R563 T568 N569 Q570 | Q562-N566 PolarHBondContact O-N 2.76Å; R563-N566 PolarHBondContact O-N 2.8Å; N566-T568 PolarHBondContact O-N 2.81Å; N566-N569 CarbonylContact O-C 3.39Å; N566-N569 PolarHBondContact O-N 3.19Å; N566-Q570 PolarHBondContact O-N 2.78Å; N566-Q570 VanDerWaalsContact O-N 3.09Å |
| 567 | E | 41.2 | Very low | 50.2 | Low | 95 Ų | 95 | 107.5 Ų | 107.5 | 44% | 0.444 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -49.9 | -55.4 | 172.5 | -67.7 | 146.6 | -144 | 0 | 0 | 111.6 | R563 R564 N569 Q570 S571 | R563-E567 VanDerWaalsContact C-OE1 3.31Å; R563-E567 PolarHBondContact O-N 2.8Å; R564-E567 WeakPolarHBondContact CA-OE2 3.26Å; E567-N569 PolarHBondContact O-N 2.83Å; E567-Q570 PolarHBondContact O-N 2.77Å; E567-S571 PolarHBondContact O-N 3.45Å; E567-S571 PolarHBondContact O-OG 3.43Å; E567-S571 VanDerWaalsContact O-OG 3.1Å |
| 568 | T | 48.7 | Very low | 47.4 | Very low | 84 Ų | 84 | 112 Ų | 112 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -4.3 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 115.8 | R564 R565 N566 | R564-T568 WeakPolarHBondContact O-CG2 3.17Å; R564-T568 PolarHBondContact O-N 2.67Å; R564-T568 PolarHBondContact O-OG1 3.46Å; R564-T568 VanDerWaalsContact O-OG1 3.13Å; R565-T568 WeakPolarHBondContact CA-OG1 3.47Å; R565-T568 PolarHBondContact O-OG1 3.14Å; N566-T568 PolarHBondContact O-N 2.81Å |
| 569 | N | 41.1 | Very low | 45 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -105.8 | -8.8 | 170.4 | -73.6 | -69.8 | 0 | 0 | 0 | 112.6 | R565 N566 E567 | R565-N569 PolarHBondContact O-N 3.47Å; R565-N569 PolarHBondContact O-ND2 3.42Å; N566-N569 CarbonylContact O-C 3.39Å; N566-N569 PolarHBondContact O-N 3.19Å; E567-N569 PolarHBondContact O-N 2.83Å |
| 570 | Q | 35.5 | Very low | 42.5 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -98.4 | -37.1 | 172.6 | -76.9 | 169.3 | -38.2 | 0 | 0 | 111.3 | N566 E567 A572 | N566-Q570 PolarHBondContact O-N 2.78Å; N566-Q570 VanDerWaalsContact O-N 3.09Å; E567-Q570 PolarHBondContact O-N 2.77Å; Q570-A572 PolarHBondContact O-N 2.99Å; Q570-A572 VanDerWaalsContact O-N 3.11Å |
| 571 | S | 31.9 | Very low | 40.3 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 27.1 | 171.9 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | E567 | E567-S571 PolarHBondContact O-N 3.45Å; E567-S571 PolarHBondContact O-OG 3.43Å; E567-S571 VanDerWaalsContact O-OG 3.1Å |
| 572 | A | 31.4 | Very low | 38.2 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 13.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q570 | Q570-A572 PolarHBondContact O-N 2.99Å; Q570-A572 VanDerWaalsContact O-N 3.11Å |
| 573 | C | 26.7 | Very low | 36.3 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -129.6 | 24.5 | -179.7 | -98.1 | 0 | 0 | 0 | 0 | 114 | ||
| 574 | E | 28 | Very low | 34.8 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -128 | 165.2 | 158.8 | -84.9 | -173.6 | 132.3 | 0 | 0 | 109.5 | ||
| 575 | I | 27.5 | Very low | 33.8 | Very low | 163 Ų | 163 | 125.7 Ų | 125.7 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | trans | 64.6 | 83.2 | -173.3 | -43 | 173 | 0 | 0 | 0 | 113.4 | ||||
| 576 | T | 29.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | -173.2 | 78.4 | 110.1 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 577 | S | 27 | Very low | 31.9 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | trans | -137.2 | 87.1 | 162.3 | -75.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 578 | L | 26.8 | Very low | 31.3 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -175.2 | 153.9 | 167.5 | -107.6 | 170.3 | 0 | 0 | 0 | 109.9 | ||||
| 579 | N | 31.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | 87.5 | 124.3 | -173.4 | -57.3 | -80.6 | 0 | 0 | 0 | 114.4 | K1671 | N579-K1671 PolarHBondContact OD1-NZ 3.06Š| ||
| 580 | N | 30.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 57% | 0.572 | 74% | 0.742 | S | S | * | * | cis | -136.8 | 174.2 | -4.9 | -41.2 | -92 | 0 | 0 | 0 | 106.8 | K1671 | N580-K1671 PolarHBondContact OD1-NZ 3.01Š| ||
| 581 | Q | 32.5 | Very low | 30.5 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | cis | -137.9 | 141.5 | 20.1 | -62.6 | -179.9 | -10.8 | 0 | 0 | 109.3 | ||||
| 582 | Q | 31.5 | Very low | 30.5 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | 62.4 | 137 | 101.6 | -56.2 | 171.3 | -104.1 | 0 | 0 | 115.2 | |||||
| 583 | S | 28.6 | Very low | 30.4 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | cis | -172.5 | 169.7 | -7 | 42.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 584 | L | 27.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 124 Ų | 124 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | 77 | 142.1 | 171.2 | -46.5 | 178 | 0 | 0 | 0 | 113.9 | ||||
| 585 | L | 30.2 | Very low | 30.9 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | cis | -127.5 | 163.2 | -1 | -75.1 | 88.4 | 0 | 0 | 0 | 112 | ||||
| 586 | S | 29.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -90.2 | 162.1 | 158.6 | -40.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 587 | P | 34 | Very low | 30.7 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | -138.7 | 168.4 | 71.5 | 43 | -26.8 | 0 | 0 | 0 | 112.1 | |||||
| 588 | N | 28.1 | Very low | 30.9 | Very low | 137 Ų | 137 | 123 Ų | 123 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | 54.5 | 143.7 | 50.3 | -115.1 | -4.8 | 0 | 0 | 0 | 113.5 | |||||
| 589 | S | 29.6 | Very low | 30.7 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | cis | -148.6 | 141.4 | 6.7 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 590 | N | 42 | Very low | 30.4 | Very low | 142 Ų | 142 | 125 Ų | 125 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | 38.6 | 127.1 | 91.8 | -76.2 | -26.2 | 0 | 0 | 0 | 115.7 | |||||
| 591 | P | 37.3 | Very low | 30.2 | Very low | 54 Ų | 54 | 123.8 Ų | 123.8 | 35% | 0.351 | 70% | 0.698 | S | S | . | * | trans | -146.9 | 130.9 | 134.3 | 34.4 | -16 | 0 | 0 | 0 | 117.2 | C661 | P591-C661 HydrophobicContact CB-CB 4.39Å; P591-C661 HydrophobicContact CG-CB 4.11Å | ||
| 592 | V | 31.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | 69.8 | 139.5 | 115.3 | 173.2 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 593 | S | 29.5 | Very low | 30 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 54% | 0.538 | 69% | 0.694 | S | S | . | * | cis | -167.9 | 153.8 | -19.7 | -93.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 594 | A | 33.5 | Very low | 30.1 | Very low | 69 Ų | 69 | 126 Ų | 126 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | trans | 49.8 | -170.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | R664 | A594-R664 PolarHBondContact O-NH2 3.14Š| ||
| 595 | P | 31.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | cis | -102.2 | -165 | -33.5 | 38.4 | -24.6 | 0 | 0 | 0 | 110.5 | ||||
| 596 | C | 28.2 | Very low | 30.3 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | cis | -125.2 | -178 | 2.2 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 597 | Q | 25 | Very low | 30.3 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | cis | 86 | 138.7 | 14.1 | -112.2 | -173.1 | 6.8 | 0 | 0 | 118.8 | ||||
| 598 | K | 29.8 | Very low | 30.1 | Very low | 183 Ų | 183 | 122 Ų | 122 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | 81.5 | 107 | 179 | -56.6 | 174 | -175.1 | 176.9 | 0 | 113.8 | ||||
| 599 | D | 23.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | cis | 81.4 | 150.1 | 26.4 | -46.7 | -71.5 | 0 | 0 | 0 | 116 | ||||
| 600 | F | 25.8 | Very low | 30.4 | Very low | 191 Ų | 191 | 121 Ų | 121 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | 72.9 | 141.9 | 169.3 | -77.1 | -81.9 | 0 | 0 | 0 | 117.9 | ||||
| 601 | S | 25.4 | Very low | 29.5 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | cis | -149.8 | 147.1 | -0.9 | -51.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 602 | L | 32.5 | Very low | 28.9 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | 175.7 | 141.8 | 112.2 | -124.1 | 62.9 | 0 | 0 | 0 | 111.4 | |||||
| 603 | T | 27.7 | Very low | 28.7 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 56% | 0.564 | 73% | 0.729 | S | S | * | * | -176.2 | 99.4 | -73.5 | 38.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 604 | K | 31.1 | Very low | 28.8 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -176 | 138.3 | 149.8 | -106.5 | 170.7 | -178.1 | 178.7 | 0 | 107.6 | ||||
| 605 | S | 31.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | -133.3 | 135.6 | 1.1 | 48 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 606 | T | 28.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 140 Ų | 140 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | cis | 69.8 | 65.3 | 48.3 | 73.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 607 | S | 29.9 | Very low | 28.7 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -153.2 | 104.6 | 139.4 | 58 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 608 | T | 30.9 | Very low | 28.7 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | 72.7 | 91.5 | 74.5 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 609 | S | 34.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -65.5 | 146.4 | 148.7 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 610 | P | 29.7 | Very low | 29.2 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | -154.7 | 151.4 | 110 | 38.6 | -21.2 | 0 | 0 | 0 | 117.2 | |||||
| 611 | F | 22.5 | Very low | 29.2 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | 58.5 | 152.5 | 137.3 | -88.2 | -100.4 | 0 | 0 | 0 | 124.4 | ||||
| 612 | V | 24 | Very low | 29.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | 55.3 | 139.7 | 170 | -93.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 613 | Y | 28.5 | Very low | 28.8 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | cis | -148.2 | 138.7 | 27.9 | -136 | -75.9 | 0 | 0 | 0 | 112.8 | ||||
| 614 | R | 30.5 | Very low | 28.8 | Very low | 192 Ų | 192 | 137 Ų | 137 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | trans | 60.6 | 131.8 | 168.2 | -86 | 167.7 | -175.9 | 161.1 | 2 | 116 | ||||
| 615 | N | 25.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | cis | 61.8 | 142.5 | 49 | -46.1 | 16 | 0 | 0 | 0 | 111.1 | ||||
| 616 | D | 30.8 | Very low | 29 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | cis | -149.6 | 166.5 | 34.5 | -80.8 | -72.3 | 0 | 0 | 0 | 113 | ||||
| 617 | I | 35 | Very low | 29.2 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | trans | 80.6 | 143 | 162.2 | -63.3 | 147.7 | 0 | 0 | 0 | 118.1 | ||||
| 618 | E | 25.9 | Very low | 29 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | trans | -89.2 | -170.6 | -172 | -51.3 | 175.3 | 125.8 | 0 | 0 | 112.3 | ||||
| 619 | P | 39.1 | Very low | 29.1 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | -135 | 127.4 | 85.6 | 34.2 | -20.9 | 0 | 0 | 0 | 113.9 | |||||
| 620 | L | 25.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -71.1 | 175.8 | 164.5 | -109 | 171.6 | 0 | 0 | 0 | 111.8 | ||||
| 621 | S | 24 | Very low | 28.8 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -45 | 170.9 | 168.3 | 54.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 622 | V | 26.7 | Very low | 29.3 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | 80.3 | 100.4 | 171.3 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 623 | L | 24.7 | Very low | 29.5 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | 61.5 | 145.9 | 74.4 | -69.2 | 167.8 | 0 | 0 | 0 | 113.3 | |||||
| 624 | T | 26.9 | Very low | 29.6 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | trans | 60 | 137.6 | 171.7 | -164 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 625 | S | 29.5 | Very low | 29.8 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | cis | -123.7 | 146.8 | 16.8 | 67 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 626 | R | 36.8 | Very low | 30 | Very low | 197 Ų | 197 | 130 Ų | 130 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | cis | 60.4 | 114.3 | 50 | -156.7 | -177.9 | -172.7 | -156.2 | 1.1 | 108.5 | ||||
| 627 | P | 33.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | -85.2 | 130.6 | 74.2 | 24.4 | -33.9 | 0 | 0 | 0 | 111 | |||||
| 628 | E | 25.9 | Very low | 30.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 55% | 0.547 | 69% | 0.685 | S | S | . | * | 95.1 | 149.3 | 67 | -84 | -148.8 | 105.9 | 0 | 0 | 108.9 | |||||
| 629 | K | 32.6 | Very low | 30.8 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | trans | 65 | 119.2 | 163.4 | -69.3 | 154.5 | 174.7 | 103.5 | 0 | 114.4 | ||||
| 630 | T | 24.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 63% | 0.632 | 68% | 0.678 | S | S | * | * | 64.5 | 107.7 | 60.6 | -51.2 | 0 | 0 | 0 | 0 | 109.1 | I633 | T630-I633 HydrophobicContact CG2-CD1 4.3Š| |||
| 631 | E | 34.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | 18.4 | 151.2 | 121.9 | -45 | -164.2 | -129.9 | 0 | 0 | 118.4 | I633 | E631-I633 HydrophobicContact CB-CB 4.02Å; E631-I633 HydrophobicContact CB-CD1 3.94Å; E631-I633 HydrophobicContact CB-CG1 3.69Å; E631-I633 HydrophobicContact CG-CD1 4.21Å; E631-I633 HydrophobicContact CG-CG1 4.29Å | |||
| 632 | P | 31.3 | Very low | 31.1 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 68% | 0.677 | S | S | * | * | -104.9 | 130 | 114.2 | 29.7 | -32.5 | 0 | 0 | 0 | 109.4 | Y634 | P632-Y634 HydrophobicContact CB-CD2 4.41Š| |||
| 633 | I | 30.2 | Very low | 31.2 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 46% | 0.462 | 68% | 0.676 | S | S | . | * | cis | 41.4 | 66.8 | 17.3 | -55.1 | 178.1 | 0 | 0 | 0 | 111.6 | T630 E631 | T630-I633 HydrophobicContact CG2-CD1 4.3Å; E631-I633 HydrophobicContact CB-CB 4.02Å; E631-I633 HydrophobicContact CB-CD1 3.94Å; E631-I633 HydrophobicContact CB-CG1 3.69Å; E631-I633 HydrophobicContact CG-CD1 4.21Å; E631-I633 HydrophobicContact CG-CG1 4.29Å | ||
| 634 | Y | 30.2 | Very low | 31.6 | Very low | 203 Ų | 203 | 128.4 Ų | 128.4 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | -131.7 | 135.4 | 116.5 | -84.7 | -90.8 | 0 | 0 | 0 | 106.4 | P632 | P632-Y634 HydrophobicContact CB-CD2 4.41Š| |||
| 635 | D | 33.9 | Very low | 31.9 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | cis | -153.7 | 131.3 | -16.4 | -120.6 | 11.3 | 0 | 0 | 0 | 105.4 | ||||
| 636 | L | 30.6 | Very low | 32 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 60% | 0.602 | 67% | 0.669 | S | S | * | * | 94.9 | 129.2 | 72.1 | -174.6 | 72.4 | 0 | 0 | 0 | 111 | |||||
| 637 | E | 28.7 | Very low | 31.7 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | trans | 46.5 | 120.3 | 161.6 | -67.8 | 169.8 | -178.6 | 0 | 0 | 117.9 | ||||
| 638 | T | 42.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | -151.4 | 123.9 | 82.7 | 12.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 639 | Q | 35.7 | Very low | 31.8 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | 64.2 | 141.5 | 127.9 | -70.7 | -172.9 | 51.8 | 0 | 0 | 119.6 | |||||
| 640 | K | 34.2 | Very low | 31.7 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | cis | -168 | 169.1 | -7.9 | -134.5 | 175.2 | -168.6 | 165.2 | 0 | 111 | ||||
| 641 | S | 29.8 | Very low | 32 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | trans | 8.7 | 149.5 | 139.2 | 69.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 642 | N | 30.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 67% | 0.67 | S | S | * | * | cis | -171.7 | -179.4 | 3.2 | -117 | 34.6 | 0 | 0 | 0 | 110.2 | ||||
| 643 | D | 30 | Very low | 31.9 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 68% | 0.684 | 67% | 0.665 | S | S | * | * | trans | 31.2 | 124.3 | 145.4 | -45.8 | -32.7 | 0 | 0 | 0 | 119 | ||||
| 644 | S | 31.5 | Very low | 31.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | -176.9 | 148.4 | 83.6 | -80.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 645 | H | 34.3 | Very low | 32.2 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | 49 | 115.2 | 143.3 | -71.1 | -71.1 | 0 | 0 | 0 | 123.5 | ||||
| 646 | H | 32.1 | Very low | 32.1 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | 50.9 | 117.6 | 121.8 | -63.6 | 0.1 | 0 | 0 | 0 | 119.8 | |||||
| 647 | Y | 29.6 | Very low | 32.1 | Very low | 230 Ų | 230 | 136.5 Ų | 136.5 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | -141.4 | 152.9 | 82.6 | -121.2 | -92.2 | 0 | 0 | 0 | 111.2 | |||||
| 648 | H | 29 | Very low | 32 | Very low | 151 Ų | 151 | 136 Ų | 136 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | trans | -133.6 | -172 | 178.1 | -173.9 | 42 | 0 | 0 | 0 | 107.6 | ||||
| 649 | H | 32.7 | Very low | 31.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.625 | 68% | 0.684 | S | S | * | * | trans | 72.6 | 144.4 | 172.8 | -77.9 | 23 | 0 | 0 | 0 | 116.1 | ||||
| 650 | Q | 30.4 | Very low | 31 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 57% | 0.565 | 69% | 0.687 | S | S | * | * | cis | -161.8 | 160.1 | -10.9 | -126.6 | -175.5 | -1.6 | 0 | 0 | 114.1 | ||||
| 651 | Q | 31.7 | Very low | 30.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 57% | 0.57 | 68% | 0.683 | S | S | * | * | trans | 66.3 | 155.2 | 145.9 | -76.5 | 176.6 | 22.3 | 0 | 0 | 118.4 | ||||
| 652 | Q | 32.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | cis | -136.6 | 135.3 | -0.2 | -125.7 | 166.8 | 68.2 | 0 | 0 | 108.6 | ||||
| 653 | Q | 30.3 | Very low | 30.3 | Very low | 135 Ų | 135 | 131 Ų | 131 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | 48.9 | 152.1 | 115.2 | -68 | -175.1 | 38 | 0 | 0 | 120.2 | |||||
| 654 | Q | 29.7 | Very low | 30 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 67% | 0.667 | S | S | * | * | cis | -149 | -169.7 | 15.3 | -127.2 | 178.6 | 61.2 | 0 | 0 | 109.4 | ||||
| 655 | P | 37.1 | Very low | 29.7 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 66% | 0.664 | S | S | * | * | trans | -130.6 | -178.3 | -139 | 31.5 | -5.1 | 0 | 0 | 0 | 115.8 | ||||
| 656 | G | 30.9 | Very low | 29.3 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 67% | 0.665 | S | S | * | * | trans | 173.9 | 109.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 657 | K | 30.4 | Very low | 28.9 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | 73 | 124.4 | 62.6 | -75.8 | 176.2 | 133.8 | -74.8 | 0 | 113.1 | |||||
| 658 | E | 27.4 | Very low | 28.8 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | trans | 62.5 | 149.6 | 145.4 | -75.1 | 123.2 | -126.8 | 0 | 0 | 118.1 | ||||
| 659 | T | 30.6 | Very low | 28.6 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | cis | -159.5 | 169 | -17 | 14.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 660 | N | 27.9 | Very low | 28.2 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | 33.7 | 118 | 143.4 | -62.7 | -30.1 | 0 | 0 | 0 | 120.5 | ||||
| 661 | C | 23.1 | Very low | 28 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | 47.4 | 123.7 | 120.2 | -61.5 | 0 | 0 | 0 | 0 | 121.6 | P591 | P591-C661 HydrophobicContact CB-CB 4.39Å; P591-C661 HydrophobicContact CG-CB 4.11Å | |||
| 662 | S | 24.6 | Very low | 27.8 | Very low | 52 Ų | 52 | 123 Ų | 123 | 36% | 0.364 | 67% | 0.672 | S | S | . | * | 111.1 | 143.3 | 126.4 | -68.8 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 663 | H | 30.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 63% | 0.625 | 68% | 0.679 | S | S | * | * | trans | 90.6 | 123.3 | 161.3 | -57.1 | -29 | 0 | 0 | 0 | 117.6 | ||||
| 664 | R | 25.1 | Very low | 27.6 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | cis | 103.2 | 141 | 25.2 | -179.1 | -158.3 | -176.5 | 176.8 | 11.4 | 110.7 | A594 | A594-R664 PolarHBondContact O-NH2 3.14Š| ||
| 665 | S | 25.4 | Very low | 28 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | 82.6 | 120.3 | 174.8 | -25 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 666 | S | 25.3 | Very low | 27.6 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | cis | 70.8 | 160.3 | 25.5 | -158.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 667 | M | 23.1 | Very low | 27.5 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | trans | 76.9 | 136.6 | -163.4 | -51 | -69.5 | 124.2 | 0 | 0 | 111.9 | ||||
| 668 | K | 28.4 | Very low | 27.6 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | cis | -161.7 | 159.8 | 5.4 | -132.2 | 171.3 | -171.4 | 179.3 | 0 | 113.3 | ||||
| 669 | S | 23.9 | Very low | 28.1 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | trans | 23.9 | 146.3 | 140.5 | 59 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 670 | S | 25.1 | Very low | 28.4 | Very low | 87 Ų | 87 | 126 Ų | 126 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | cis | -175.7 | -167.1 | 0.7 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 671 | E | 26.4 | Very low | 29.1 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 71% | 0.71 | 68% | 0.676 | S | S | * | * | trans | 61.6 | 114.7 | 169.2 | -86.3 | 60.6 | -105 | 0 | 0 | 117.7 | ||||
| 672 | S | 25.7 | Very low | 30.5 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | 77.3 | 139.1 | 100.8 | 90.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 673 | V | 30.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | cis | -154.7 | 176.2 | 2.3 | 112 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 674 | H | 28.2 | Very low | 33 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -32.3 | 164.8 | 173.2 | -93.6 | -87.7 | 0 | 0 | 0 | 118.9 | D676 | H674-D676 IonicContact ND1-OD2 2.65Š| ||
| 675 | P | 38.3 | Very low | 35 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | cis | -135 | -174.2 | 15.7 | 38.5 | -18.5 | 0 | 0 | 0 | 117.1 | ||||
| 676 | D | 27.8 | Very low | 37.3 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | trans | -59.5 | 141.4 | 171.7 | -53.4 | -110.4 | 0 | 0 | 0 | 114.6 | H674 | H674-D676 IonicContact ND1-OD2 2.65Š| ||
| 677 | E | 29.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 80% | 0.799 | 66% | 0.662 | S | S | * | * | -164.3 | 169.5 | 128.9 | -123.5 | -174.9 | -147 | 0 | 0 | 113.2 | |||||
| 678 | N | 33.5 | Very low | 42.3 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | trans | 60.6 | 86.7 | 165.8 | -68 | -60.6 | 0 | 0 | 0 | 120.1 | ||||
| 679 | I | 36.5 | Very low | 44.9 | Very low | 178 Ų | 178 | 121.4 Ų | 121.4 | 91% | 0.913 | 64% | 0.639 | S | S | * | * | trans | -114.7 | 57.7 | 142.5 | -48.7 | -176.7 | 0 | 0 | 0 | 109.6 | ||||
| 680 | V | 37.5 | Very low | 47.6 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 62% | 0.624 | 63% | 0.634 | S | S | * | * | trans | -138.5 | 65.2 | 168 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 681 | S | 43.6 | Very low | 50.6 | Low | 64 Ų | 64 | 124.4 Ų | 124.4 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -149.9 | -4.1 | -174 | -38.9 | 0 | 0 | 0 | 0 | 115.6 | Q685 | S681-Q685 WeakPolarHBondContact O-CB 3.49Š|
| 682 | K | 52.7 | Low | 53.4 | Low | 187 Ų | 187 | 121.3 Ų | 121.3 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -105.9 | -41.8 | 175.4 | -84.5 | -173.5 | 174.9 | 178.3 | 0 | 113.9 | E686 | K682-E686 VanDerWaalsContact O-CB 3.3Å; K682-E686 WeakPolarHBondContact O-CB 3.21Å; K682-E686 PolarHBondContact O-N 3.15Å; K682-E686 VanDerWaalsContact O-N 3.1Å |
| 683 | E | 48.7 | Very low | 56.3 | Low | 152 Ų | 152 | 122.9 Ų | 122.9 | 71% | 0.71 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.5 | -40.5 | 175.8 | -169.7 | 164.5 | -155.9 | 0 | 0 | 110.8 | E686 T687 | E683-E686 PolarHBondContact O-N 2.81Å; E683-T687 PolarHBondContact O-N 3.35Å; E683-T687 PolarHBondContact O-OG1 2.92Å |
| 684 | E | 57.3 | Low | 59 | Low | 124 Ų | 124 | 122.1 Ų | 122.1 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.1 | -49.1 | 177.2 | -168.9 | 148.6 | -151.1 | 0 | 0 | 112.2 | E686 T687 E688 | E684-E686 PolarHBondContact O-N 2.84Å; E684-T687 WeakPolarHBondContact CA-OG1 3.23Å; E684-T687 CarbonylContact O-C 3.05Å; E684-T687 PolarHBondContact O-N 2.81Å; E684-T687 VanDerWaalsContact O-N 3.09Å; E684-T687 PolarHBondContact O-OG1 3.23Å; E684-E688 WeakPolarHBondContact O-CB 3.12Å; E684-E688 PolarHBondContact O-N 3.16Å |
| 685 | Q | 67.5 | Low | 61.6 | Low | 93 Ų | 93 | 120.3 Ų | 120.3 | 44% | 0.435 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.2 | -22.6 | 176.7 | -155.7 | -170.1 | 78.4 | 0 | 0 | 113.3 | S681 R689 | S681-Q685 WeakPolarHBondContact O-CB 3.49Å; Q685-R689 WeakPolarHBondContact O-CG 3.42Å; Q685-R689 PolarHBondContact O-N 3.43Å; Q685-R689 VanDerWaalsContact O-N 3.08Å; Q685-R689 PolarHBondContact O-NH1 2.86Å |
| 686 | E | 74 | Confident | 63.8 | Low | 77 Ų | 77 | 121 Ų | 121 | 36% | 0.36 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.8 | -39 | 170.3 | 175.1 | 60.5 | -173 | 0 | 0 | 111.6 | K682 E683 E684 E688 R689 R690 | K682-E686 VanDerWaalsContact O-CB 3.3Å; K682-E686 WeakPolarHBondContact O-CB 3.21Å; K682-E686 PolarHBondContact O-N 3.15Å; K682-E686 VanDerWaalsContact O-N 3.1Å; E683-E686 PolarHBondContact O-N 2.81Å; E684-E686 PolarHBondContact O-N 2.84Å; E686-E688 VanDerWaalsContact C-N 3.31Å; E686-E688 PolarHBondContact O-N 3.48Å; E686-R689 PolarHBondContact O-N 3.01Å; E686-R690 VanDerWaalsContact O-CG 3.29Å; E686-R690 WeakPolarHBondContact O-CG 3.28Å; E686-R690 PolarHBondContact O-N 3.21Å; E686-R690 IonicContact OE1-CZ 2.84Å; E686-R690 IonicContact OE1-NE 3.85Å; E686-R690 PolarHBondContact OE1-NE 2.93Å; E686-R690 IonicContact OE1-NH2 2.95Å; E686-R690 PolarHBondContact OE1-NH2 2.88Å |
| 687 | T | 75 | Confident | 66.3 | Low | 66 Ų | 66 | 117.4 Ų | 117.4 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -36.7 | 170.5 | 52.8 | 0 | 0 | 0 | 0 | 112 | E683 E684 R690 I691 | E683-T687 PolarHBondContact O-N 3.35Å; E683-T687 PolarHBondContact O-OG1 2.92Å; E684-T687 WeakPolarHBondContact CA-OG1 3.23Å; E684-T687 CarbonylContact O-C 3.05Å; E684-T687 PolarHBondContact O-N 2.81Å; E684-T687 VanDerWaalsContact O-N 3.09Å; E684-T687 PolarHBondContact O-OG1 3.23Å; T687-R690 PolarHBondContact O-N 3.26Å; T687-I691 WeakPolarHBondContact O-CB 3.05Å; T687-I691 WeakPolarHBondContact O-CD1 3.37Å; T687-I691 VanDerWaalsContact O-CG1 3.23Å; T687-I691 WeakPolarHBondContact O-CG1 3.15Å; T687-I691 PolarHBondContact O-N 3.46Å |
| 688 | E | 78.1 | Confident | 68.8 | Low | 111 Ų | 111 | 111.5 Ų | 111.5 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.4 | -42.2 | 175.3 | -173.4 | 176.3 | -138.4 | 0 | 0 | 111.5 | E684 E686 R690 I691 N692 | E684-E688 WeakPolarHBondContact O-CB 3.12Å; E684-E688 PolarHBondContact O-N 3.16Å; E686-E688 VanDerWaalsContact C-N 3.31Å; E686-E688 PolarHBondContact O-N 3.48Å; E688-R690 VanDerWaalsContact C-N 3.32Å; E688-R690 PolarHBondContact O-N 2.99Å; E688-I691 PolarHBondContact O-N 3.17Å; E688-N692 WeakPolarHBondContact O-CB 3.25Å; E688-N692 PolarHBondContact O-N 2.67Å; E688-N692 PolarHBondContact O-ND2 3.49Å |
| 689 | R | 82.4 | Confident | 71.1 | Confident | 132 Ų | 132 | 112 Ų | 112 | 50% | 0.498 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.7 | -41.2 | 169.5 | -81.1 | -174.8 | -174.4 | 87.2 | 3.6 | 112.3 | Q685 E686 N692 Q693 | Q685-R689 WeakPolarHBondContact O-CG 3.42Å; Q685-R689 PolarHBondContact O-N 3.43Å; Q685-R689 VanDerWaalsContact O-N 3.08Å; Q685-R689 PolarHBondContact O-NH1 2.86Å; E686-R689 PolarHBondContact O-N 3.01Å; R689-N692 PolarHBondContact O-N 2.99Å; R689-Q693 WeakPolarHBondContact O-CB 3.22Å; R689-Q693 WeakPolarHBondContact O-CG 3.11Å; R689-Q693 PolarHBondContact O-N 2.83Å |
| 690 | R | 81 | Confident | 73 | Confident | 143 Ų | 143 | 106.2 Ų | 106.2 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 177.9 | -71.5 | 172.4 | -171.5 | -162.1 | 3.3 | 112.6 | E686 T687 E688 N692 Q693 I694 | E686-R690 VanDerWaalsContact O-CG 3.29Å; E686-R690 WeakPolarHBondContact O-CG 3.28Å; E686-R690 PolarHBondContact O-N 3.21Å; E686-R690 IonicContact OE1-CZ 2.84Å; E686-R690 IonicContact OE1-NE 3.85Å; E686-R690 PolarHBondContact OE1-NE 2.93Å; E686-R690 IonicContact OE1-NH2 2.95Å; E686-R690 PolarHBondContact OE1-NH2 2.88Å; T687-R690 PolarHBondContact O-N 3.26Å; E688-R690 VanDerWaalsContact C-N 3.32Å; E688-R690 PolarHBondContact O-N 2.99Å; R690-N692 VanDerWaalsContact C-N 3.34Å; R690-Q693 PolarHBondContact O-N 3.23Å; R690-I694 WeakPolarHBondContact O-CB 3.43Å; R690-I694 WeakPolarHBondContact O-CD1 3.44Å; R690-I694 VanDerWaalsContact O-CG1 3.25Å; R690-I694 WeakPolarHBondContact O-CG1 3.3Å; R690-I694 PolarHBondContact O-N 3.21Å |
| 691 | I | 89.2 | Confident | 74.6 | Confident | 102 Ų | 102 | 104.2 Ų | 104.2 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.1 | -72.2 | 162.9 | 0 | 0 | 0 | 109.4 | T687 E688 I694 L695 | T687-I691 WeakPolarHBondContact O-CB 3.05Å; T687-I691 WeakPolarHBondContact O-CD1 3.37Å; T687-I691 VanDerWaalsContact O-CG1 3.23Å; T687-I691 WeakPolarHBondContact O-CG1 3.15Å; T687-I691 PolarHBondContact O-N 3.46Å; E688-I691 PolarHBondContact O-N 3.17Å; I691-I694 PolarHBondContact O-N 3.15Å; I691-L695 WeakPolarHBondContact O-CB 3.28Å; I691-L695 PolarHBondContact O-N 3.37Å |
| 692 | N | 85.3 | Confident | 76.3 | Confident | 86 Ų | 86 | 106.4 Ų | 106.4 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 177.2 | -77.3 | -55.8 | 0 | 0 | 0 | 113 | E688 R689 R690 L695 L696 | E688-N692 WeakPolarHBondContact O-CB 3.25Å; E688-N692 PolarHBondContact O-N 2.67Å; E688-N692 PolarHBondContact O-ND2 3.49Å; R689-N692 PolarHBondContact O-N 2.99Å; R690-N692 VanDerWaalsContact C-N 3.34Å; N692-L695 PolarHBondContact O-N 2.72Å; N692-L696 VanDerWaalsContact O-CB 3.31Å; N692-L696 WeakPolarHBondContact O-CB 3.26Å; N692-L696 PolarHBondContact O-N 2.89Å |
| 693 | Q | 86.3 | Confident | 77.3 | Confident | 142 Ų | 142 | 100.5 Ų | 100.5 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 171.7 | -81.2 | -173.6 | -5.4 | 0 | 0 | 112.5 | R689 R690 L696 A697 | R689-Q693 WeakPolarHBondContact O-CB 3.22Å; R689-Q693 WeakPolarHBondContact O-CG 3.11Å; R689-Q693 PolarHBondContact O-N 2.83Å; R690-Q693 PolarHBondContact O-N 3.23Å; Q693-L696 PolarHBondContact O-N 3.43Å; Q693-A697 VanDerWaalsContact O-CB 3.32Å; Q693-A697 WeakPolarHBondContact O-CB 3.35Å; Q693-A697 PolarHBondContact O-N 3.42Å |
| 694 | I | 86.6 | Confident | 78.4 | Confident | 119 Ų | 119 | 99.9 Ų | 99.9 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 176.1 | -69.3 | 163.9 | 0 | 0 | 0 | 110.4 | R690 I691 A697 A698 | R690-I694 WeakPolarHBondContact O-CB 3.43Å; R690-I694 WeakPolarHBondContact O-CD1 3.44Å; R690-I694 VanDerWaalsContact O-CG1 3.25Å; R690-I694 WeakPolarHBondContact O-CG1 3.3Å; R690-I694 PolarHBondContact O-N 3.21Å; I691-I694 PolarHBondContact O-N 3.15Å; I694-A697 PolarHBondContact O-N 3.43Å; I694-A698 WeakPolarHBondContact O-CB 3.45Å; I694-A698 PolarHBondContact O-N 3.13Å |
| 695 | L | 84.1 | Confident | 78.9 | Confident | 118 Ų | 118 | 98 Ų | 98 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 177 | -140.8 | 79.6 | 0 | 0 | 0 | 111.7 | I691 N692 A698 K699 | I691-L695 WeakPolarHBondContact O-CB 3.28Å; I691-L695 PolarHBondContact O-N 3.37Å; N692-L695 PolarHBondContact O-N 2.72Å; L695-A698 PolarHBondContact O-N 2.83Å; L695-K699 WeakPolarHBondContact O-CB 3.46Å; L695-K699 PolarHBondContact O-N 2.81Å |
| 696 | L | 84.8 | Confident | 78.9 | Confident | 129 Ų | 129 | 100.8 Ų | 100.8 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.6 | -37.6 | 178.7 | -157.5 | 75.8 | 0 | 0 | 0 | 111.8 | N692 Q693 K699 A700 | N692-L696 VanDerWaalsContact O-CB 3.31Å; N692-L696 WeakPolarHBondContact O-CB 3.26Å; N692-L696 PolarHBondContact O-N 2.89Å; Q693-L696 PolarHBondContact O-N 3.43Å; L696-K699 PolarHBondContact O-N 2.75Å; L696-A700 WeakPolarHBondContact O-CB 3.34Å; L696-A700 PolarHBondContact O-N 3.41Å |
| 697 | A | 78.8 | Confident | 78 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q693 I694 A700 A701 | Q693-A697 VanDerWaalsContact O-CB 3.32Å; Q693-A697 WeakPolarHBondContact O-CB 3.35Å; Q693-A697 PolarHBondContact O-N 3.42Å; I694-A697 PolarHBondContact O-N 3.43Å; A697-A700 PolarHBondContact O-N 2.98Å; A697-A701 PolarHBondContact O-N 3.03Å |
| 698 | A | 81.5 | Confident | 77.2 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I694 L695 A701 M702 | I694-A698 WeakPolarHBondContact O-CB 3.45Å; I694-A698 PolarHBondContact O-N 3.13Å; L695-A698 PolarHBondContact O-N 2.83Å; A698-A701 PolarHBondContact O-N 3.35Å; A698-M702 WeakPolarHBondContact O-CG 3.35Å; A698-M702 PolarHBondContact O-N 2.73Å |
| 699 | K | 81.9 | Confident | 76 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.2 | -51.9 | 172.5 | -177.7 | 71.9 | -179.8 | -174.6 | 0 | 111.1 | L695 L696 A701 M702 D703 | L695-K699 WeakPolarHBondContact O-CB 3.46Å; L695-K699 PolarHBondContact O-N 2.81Å; L696-K699 PolarHBondContact O-N 2.75Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.38Å; K699-M702 PolarHBondContact O-N 3.2Å; K699-D703 WeakPolarHBondContact CE-OD2 3.43Å; K699-D703 PolarHBondContact O-N 2.67Å |
| 700 | A | 76.5 | Confident | 74.4 | Confident | 57 Ų | 57 | 96.9 Ų | 96.9 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -32.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L696 A697 Y704 | L696-A700 WeakPolarHBondContact O-CB 3.34Å; L696-A700 PolarHBondContact O-N 3.41Å; A697-A700 PolarHBondContact O-N 2.98Å; A700-Y704 PolarHBondContact O-N 2.62Å; A700-Y704 VanDerWaalsContact O-N 3.16Å |
| 701 | A | 70.9 | Confident | 72.4 | Confident | 60 Ų | 60 | 96.6 Ų | 96.6 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A697 A698 K699 Y704 E705 | A697-A701 PolarHBondContact O-N 3.03Å; A698-A701 PolarHBondContact O-N 3.35Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.38Å; A701-Y704 WeakPolarHBondContact O-CB 3.38Å; A701-Y704 PolarHBondContact O-N 2.83Å; A701-E705 PolarHBondContact O-N 3.2Å |
| 702 | M | 79.1 | Confident | 69.9 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 177.3 | -71.3 | -174.1 | -67.8 | 0 | 0 | 112.9 | A698 K699 Y704 E705 K706 | A698-M702 WeakPolarHBondContact O-CG 3.35Å; A698-M702 PolarHBondContact O-N 2.73Å; K699-M702 PolarHBondContact O-N 3.2Å; M702-Y704 VanDerWaalsContact C-N 3.31Å; M702-E705 PolarHBondContact O-N 2.98Å; M702-K706 PolarHBondContact O-N 3.4Å |
| 703 | D | 75.2 | Confident | 67.4 | Low | 63 Ų | 63 | 98.3 Ų | 98.3 | 34% | 0.337 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.7 | -28.7 | 176.1 | -69.9 | -35.6 | 0 | 0 | 0 | 111.6 | K699 Q707 | K699-D703 WeakPolarHBondContact CE-OD2 3.43Å; K699-D703 PolarHBondContact O-N 2.67Å; D703-Q707 WeakPolarHBondContact O-CG 3.36Å; D703-Q707 PolarHBondContact O-N 3.35Å |
| 704 | Y | 71 | Confident | 64.9 | Low | 140 Ų | 140 | 97 Ų | 97 | 55% | 0.549 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 165.9 | -119.5 | -67.2 | 0 | 0 | 0 | 112.1 | A700 A701 M702 K706 Q707 I708 | A700-Y704 PolarHBondContact O-N 2.62Å; A700-Y704 VanDerWaalsContact O-N 3.16Å; A701-Y704 WeakPolarHBondContact O-CB 3.38Å; A701-Y704 PolarHBondContact O-N 2.83Å; M702-Y704 VanDerWaalsContact C-N 3.31Å; Y704-K706 PolarHBondContact O-N 2.83Å; Y704-Q707 PolarHBondContact O-N 3.25Å; Y704-Q707 VanDerWaalsContact O-N 3.14Å; Y704-I708 WeakPolarHBondContact O-CD1 3.43Å; Y704-I708 WeakPolarHBondContact O-CG1 3.33Å; Y704-I708 PolarHBondContact O-N 3.09Å |
| 705 | E | 68.2 | Low | 62.4 | Low | 84 Ų | 84 | 100.3 Ų | 100.3 | 39% | 0.393 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -28.7 | 177.1 | -152.9 | -175.5 | 137.1 | 0 | 0 | 112.6 | A701 M702 K709 | A701-E705 PolarHBondContact O-N 3.2Å; M702-E705 PolarHBondContact O-N 2.98Å; E705-K709 PolarHBondContact O-N 2.9Å; E705-K709 IonicContact OE1-NZ 3.19Å; E705-K709 PolarHBondContact OE1-NZ 3.5Å |
| 706 | K | 67.8 | Low | 59.9 | Low | 152 Ų | 152 | 103.9 Ų | 103.9 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.1 | -35.2 | 170.8 | -87.7 | -172.6 | 168.5 | -172.5 | 0 | 114.3 | M702 Y704 I708 A710 | M702-K706 PolarHBondContact O-N 3.4Å; Y704-K706 PolarHBondContact O-N 2.83Å; K706-I708 VanDerWaalsContact C-N 3.29Å; K706-A710 WeakPolarHBondContact O-CB 3.49Å; K706-A710 PolarHBondContact O-N 3.32Å |
| 707 | Q | 53.9 | Low | 57.4 | Low | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.2 | -25.8 | -179.9 | -74 | 176.8 | 24.7 | 0 | 0 | 112.9 | D703 Y704 N711 | D703-Q707 WeakPolarHBondContact O-CG 3.36Å; D703-Q707 PolarHBondContact O-N 3.35Å; Y704-Q707 PolarHBondContact O-N 3.25Å; Y704-Q707 VanDerWaalsContact O-N 3.14Å; Q707-N711 PolarHBondContact O-ND2 2.73Å |
| 708 | I | 57.9 | Low | 55.1 | Low | 26 Ų | 26 | 108.8 Ų | 108.8 | 13% | 0.133 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -69.1 | -57.1 | 172.8 | -62 | 160.4 | 0 | 0 | 0 | 108.9 | Y704 K706 A710 N711 Q990 D991 | Y704-I708 WeakPolarHBondContact O-CD1 3.43Å; Y704-I708 WeakPolarHBondContact O-CG1 3.33Å; Y704-I708 PolarHBondContact O-N 3.09Å; K706-I708 VanDerWaalsContact C-N 3.29Å; I708-A710 PolarHBondContact O-N 2.83Å; I708-N711 PolarHBondContact O-N 3.04Å; I708-Q990 VanDerWaalsContact CD1-CD 3.5Å; I708-Q990 HydrophobicContact CD1-CG 4Å; I708-Q990 HydrophobicContact CG1-CG 4.35Å; I708-Q990 HydrophobicContact CG2-CB 4.3Å; I708-Q990 HydrophobicContact CG2-CG 4.38Å; I708-D991 HydrophobicContact CG2-CB 3.93Å; I708-D991 VanDerWaalsContact CG2-OD1 3.28Å; I708-D991 WeakPolarHBondContact CG2-OD1 3.47Å |
| 709 | K | 54.3 | Low | 52.4 | Low | 78 Ų | 78 | 110.9 Ų | 110.9 | 34% | 0.339 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -5.8 | 179.1 | -71.4 | 168.5 | -169.2 | 169.6 | 0 | 115.9 | E705 D992 C993 | E705-K709 PolarHBondContact O-N 2.9Å; E705-K709 IonicContact OE1-NZ 3.19Å; E705-K709 PolarHBondContact OE1-NZ 3.5Å; K709-D992 WeakPolarHBondContact CA-OD2 3.39Å; K709-D992 WeakPolarHBondContact CE-OD1 3.45Å; K709-D992 VanDerWaalsContact CG-CG 3.45Å; K709-D992 WeakPolarHBondContact CG-OD1 3.45Å; K709-D992 WeakPolarHBondContact CG-OD2 3.42Å; K709-C993 WeakPolarHBondContact CE-O 3.36Å |
| 710 | A | 48.7 | Very low | 49.8 | Very low | 71 Ų | 71 | 113 Ų | 113 | 59% | 0.587 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -15.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K706 I708 | K706-A710 WeakPolarHBondContact O-CB 3.49Å; K706-A710 PolarHBondContact O-N 3.32Å; I708-A710 PolarHBondContact O-N 2.83Å |
| 711 | N | 37.5 | Very low | 47.5 | Very low | 138 Ų | 138 | 116.2 Ų | 116.2 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -135.5 | 61.9 | -169.4 | -64.6 | -58.7 | 0 | 0 | 0 | 112.6 | Q707 I708 | Q707-N711 PolarHBondContact O-ND2 2.73Å; I708-N711 PolarHBondContact O-N 3.04Å |
| 712 | G | 37.2 | Very low | 45.5 | Very low | 57 Ų | 57 | 122 Ų | 122 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | -146.1 | 8.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 713 | L | 32.7 | Very low | 43.3 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 87% | 0.869 | 65% | 0.647 | S | S | * | * | trans | -152 | 138.4 | 175.3 | -88.8 | 162.9 | 0 | 0 | 0 | 107.4 | ||||
| 714 | T | 35.2 | Very low | 41.1 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | cis | -138.8 | 139.7 | 20.6 | 48.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 715 | E | 32.3 | Very low | 39.1 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | trans | 57.4 | 158 | 141.9 | -58.3 | -161.1 | 131.2 | 0 | 0 | 123.2 | ||||
| 716 | K | 31.6 | Very low | 37.2 | Very low | 193 Ų | 193 | 127.8 Ų | 127.8 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | trans | -94.9 | 151.3 | 172.2 | -55 | 169.2 | -179.8 | 175.3 | 0 | 109.1 | ||||
| 717 | I | 32.8 | Very low | 35.6 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | 175.2 | 132.5 | 122 | -92.2 | 156 | 0 | 0 | 0 | 111.4 | |||||
| 718 | N | 29.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | 43.8 | 130.4 | 155.7 | -60.6 | 4.1 | 0 | 0 | 0 | 124.1 | ||||
| 719 | S | 26.2 | Very low | 33.1 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | 56.8 | 122.7 | 132.8 | 65.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 720 | D | 26.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | 54.4 | 105.7 | 130.7 | -45.4 | -23.2 | 0 | 0 | 0 | 119.6 | ||||
| 721 | S | 28.1 | Very low | 30.8 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | -170.1 | 172.3 | 112.9 | -158 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 722 | F | 29.3 | Very low | 30.4 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | trans | -79.5 | 174.7 | -168.4 | -98.7 | -114.7 | 0 | 0 | 0 | 116.9 | ||||
| 723 | D | 31.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | 85.8 | 91.2 | 147.5 | -71.6 | -41.1 | 0 | 0 | 0 | 122.8 | ||||
| 724 | N | 30.4 | Very low | 30 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | 66.1 | 102.2 | 107.8 | -82 | -56 | 0 | 0 | 0 | 122.2 | |||||
| 725 | T | 28.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | 63.8 | 113.3 | 111.5 | -50.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 726 | L | 29.3 | Very low | 29.4 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | -163.2 | 148.4 | 124.3 | -132.6 | 81.7 | 0 | 0 | 0 | 116.6 | |||||
| 727 | T | 32.8 | Very low | 29.3 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | 55.8 | 101.9 | 150.6 | 42.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 728 | M | 29.1 | Very low | 29.1 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | 70.6 | 165.3 | 108.6 | -90.8 | -64.5 | 172.5 | 0 | 0 | 123.4 | |||||
| 729 | K | 29.9 | Very low | 29.1 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -147.6 | 125.1 | -160.5 | -173.5 | -178.4 | -176.1 | -178.2 | 0 | 113 | ||||
| 730 | Q | 28.5 | Very low | 29.3 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 51.2 | 129.8 | 158.8 | -67.9 | 178.9 | -47.4 | 0 | 0 | 121.2 | ||||
| 731 | H | 27.5 | Very low | 29.5 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | -141.4 | 171.7 | 146.3 | -126.3 | -96.4 | 0 | 0 | 0 | 110.2 | ||||
| 732 | Q | 28.4 | Very low | 29.6 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -115.3 | 135.5 | -161.5 | -56.3 | 163.6 | -54.8 | 0 | 0 | 114.8 | ||||
| 733 | S | 25 | Very low | 29.6 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 62 | 178.3 | 144.6 | 75.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 734 | P | 37.4 | Very low | 29.6 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -130.4 | -171.4 | -21.2 | 20.2 | 5.3 | 0 | 0 | 0 | 114.2 | ||||
| 735 | F | 26.9 | Very low | 29.5 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 78.8 | 146.2 | 161.1 | -69.7 | -74.7 | 0 | 0 | 0 | 121.5 | ||||
| 736 | S | 27.4 | Very low | 29.5 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 37 | 125.7 | 157.3 | 48.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 737 | D | 29.7 | Very low | 29.4 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | cis | -163.7 | 163.1 | 42 | -116.7 | -36.7 | 0 | 0 | 0 | 115.7 | ||||
| 738 | C | 28.7 | Very low | 29.2 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 69% | 0.689 | 78% | 0.783 | S | S | * | * | trans | 51.1 | 143.2 | 147 | -66.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 739 | Q | 29.3 | Very low | 29.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 71.2 | 94.3 | 147.1 | -103.9 | 61.8 | -13.4 | 0 | 0 | 123.6 | ||||
| 740 | A | 30.1 | Very low | 29 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | 63.1 | 144.1 | 120.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 741 | G | 30.7 | Very low | 29.1 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | 111.7 | 99.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 742 | I | 30.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | 66.8 | 120.4 | 53.3 | -51.1 | 175.1 | 0 | 0 | 0 | 110.5 | |||||
| 743 | Y | 29.4 | Very low | 29.2 | Very low | 222 Ų | 222 | 131.1 Ų | 131.1 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | cis | -140.1 | -160.7 | 12 | -132 | -34.1 | 0 | 0 | 0 | 114 | ||||
| 744 | N | 31.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -101.9 | -174 | -161.7 | -136.1 | -16 | 0 | 0 | 0 | 114.1 | ||||
| 745 | S | 28.5 | Very low | 29.1 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | trans | -98.3 | 162 | -174.3 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 746 | N | 29.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 79.5 | 146.5 | 155.7 | -66.5 | -16.2 | 0 | 0 | 0 | 122.4 | ||||
| 747 | C | 27.3 | Very low | 29.4 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 89% | 0.892 | 73% | 0.729 | S | S | * | * | trans | 101.6 | 147.9 | 155.7 | -65 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 748 | L | 27.6 | Very low | 29.5 | Very low | 170 Ų | 170 | 120.5 Ų | 120.5 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | trans | -82.2 | 148.5 | -167.1 | -63.6 | 143.8 | 0 | 0 | 0 | 113.5 | ||||
| 749 | S | 27.8 | Very low | 29.4 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | 174.3 | 179.2 | 119 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 750 | V | 28.3 | Very low | 29.4 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | -116.3 | 141.1 | -166.6 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 751 | S | 29.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 64.8 | 160.9 | 163 | 65.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 752 | A | 29.8 | Very low | 29.6 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | cis | -179.2 | 151 | -36 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 753 | I | 29 | Very low | 29.9 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 83% | 0.831 | 71% | 0.71 | S | S | * | * | trans | 66.3 | 143.4 | 156 | -65.3 | 157.8 | 0 | 0 | 0 | 114.7 | ||||
| 754 | S | 30.2 | Very low | 30.3 | Very low | 50 Ų | 50 | 116.1 Ų | 116.1 | 35% | 0.35 | 70% | 0.696 | S | S | . | * | cis | -145.3 | 114.8 | -9.5 | 31.1 | 0 | 0 | 0 | 0 | 107.2 | N765 | S754-N765 PolarHBondContact O-N 3.44Š| ||
| 755 | T | 30.3 | Very low | 30.5 | Very low | 94 Ų | 94 | 114 Ų | 114 | 58% | 0.577 | 69% | 0.685 | S | S | * | * | 73.4 | -177.4 | 75.2 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | N764 N765 | T755-N764 CarbonylContact O-C 3.26Å; T755-N764 WeakPolarHBondContact O-CA 3.4Å; T755-N765 PolarHBondContact O-N 2.83Å | |||
| 756 | L | 31.5 | Very low | 30.9 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 38% | 0.377 | 69% | 0.691 | S | S | . | * | trans | 88.9 | 121 | 151.3 | -69.9 | 159.1 | 0 | 0 | 0 | 113.1 | T762 T763 N764 | L756-T762 CarbonylContact C-O 3.4Å; L756-T762 VanDerWaalsContact C-O 3.26Å; L756-T762 WeakPolarHBondContact CA-O 3.49Å; L756-T762 WeakPolarHBondContact CB-O 3.49Å; L756-T762 WeakPolarHBondContact CD2-O 3.3Å; L756-T762 WeakPolarHBondContact CG-O 3.26Å; L756-T763 VanDerWaalsContact C-N 3.29Å; L756-T763 VanDerWaalsContact CB-O 3.3Å; L756-T763 WeakPolarHBondContact CB-O 3.27Å; L756-T763 CarbonylContact O-C 3.44Å; L756-N764 VanDerWaalsContact C-N 3.34Å; L756-N764 PolarHBondContact O-N 3.3Å | ||
| 757 | D | 29.1 | Very low | 31 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | trans | -139.8 | -175.4 | -150.3 | -58.3 | -91.8 | 0 | 0 | 0 | 113.4 | Q761 T762 T763 | D757-Q761 CarbonylContact O-C 3.56Å; D757-T762 PolarHBondContact N-O 2.78Å; D757-T762 CarbonylContact O-C 2.97Å; D757-T762 WeakPolarHBondContact O-CA 3.36Å; D757-T762 PolarHBondContact O-N 2.72Å; D757-T763 PolarHBondContact O-N 3.38Å | ||
| 758 | A | 31 | Very low | 31.2 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -165.5 | 138.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 759 | D | 27.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 111.3 Ų | 111.3 | 86% | 0.856 | 67% | 0.674 | S | S | * | * | S | Bend | cis | -104.6 | 140.2 | -8 | -69.3 | -53.7 | 0 | 0 | 0 | 110.3 | ||
| 760 | S | 30.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | S | Bend | cis | -112.9 | 135.8 | 16.9 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 761 | Q | 31.4 | Very low | 31 | Very low | 168 Ų | 168 | 110.5 Ų | 110.5 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 79.7 | 82.5 | 165 | -59 | -173.3 | -9 | 0 | 0 | 119.2 | D757 | D757-Q761 CarbonylContact O-C 3.56Š|
| 762 | T | 33.5 | Very low | 31 | Very low | 82 Ų | 82 | 110.6 Ų | 110.6 | 50% | 0.503 | 66% | 0.66 | S | S | . | * | trans | 67 | 111.6 | 142.7 | 55.6 | 0 | 0 | 0 | 0 | 121.6 | L756 D757 | L756-T762 CarbonylContact C-O 3.4Å; L756-T762 VanDerWaalsContact C-O 3.26Å; L756-T762 WeakPolarHBondContact CA-O 3.49Å; L756-T762 WeakPolarHBondContact CB-O 3.49Å; L756-T762 WeakPolarHBondContact CD2-O 3.3Å; L756-T762 WeakPolarHBondContact CG-O 3.26Å; D757-T762 PolarHBondContact N-O 2.78Å; D757-T762 CarbonylContact O-C 2.97Å; D757-T762 WeakPolarHBondContact O-CA 3.36Å; D757-T762 PolarHBondContact O-N 2.72Å | ||
| 763 | T | 36.1 | Very low | 30.8 | Very low | 93 Ų | 93 | 112.4 Ų | 112.4 | 57% | 0.571 | 67% | 0.668 | S | S | * | * | 58.9 | 89.8 | 117 | 65.5 | 0 | 0 | 0 | 0 | 129 | L756 D757 | L756-T763 VanDerWaalsContact C-N 3.29Å; L756-T763 VanDerWaalsContact CB-O 3.3Å; L756-T763 WeakPolarHBondContact CB-O 3.27Å; L756-T763 CarbonylContact O-C 3.44Å; D757-T763 PolarHBondContact O-N 3.38Å | |||
| 764 | N | 38.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 108 Ų | 108 | 58% | 0.583 | 66% | 0.663 | S | S | * | * | trans | 60.8 | 150.2 | 145.4 | -51.3 | -65 | 0 | 0 | 0 | 122.2 | T755 L756 | T755-N764 CarbonylContact O-C 3.26Å; T755-N764 WeakPolarHBondContact O-CA 3.4Å; L756-N764 VanDerWaalsContact C-N 3.34Å; L756-N764 PolarHBondContact O-N 3.3Å | ||
| 765 | N | 35.3 | Very low | 30.7 | Very low | 106 Ų | 106 | 111 Ų | 111 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | cis | 87.1 | 135.5 | 28.8 | -100.5 | -40 | 0 | 0 | 0 | 120.5 | S754 T755 | S754-N765 PolarHBondContact O-N 3.44Å; T755-N765 PolarHBondContact O-N 2.83Å | ||
| 766 | T | 37.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 113 Ų | 113 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | 64.4 | 130.4 | 167.9 | 57.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 767 | T | 31.5 | Very low | 30.4 | Very low | 124 Ų | 124 | 115 Ų | 115 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | cis | 92.1 | 143.5 | 44.6 | 9.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 768 | T | 30.1 | Very low | 30.3 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | 82 | 95.5 | 151.2 | 39.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 769 | T | 27.9 | Very low | 30.1 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 77% | 0.767 | 70% | 0.698 | S | S | * | * | 80.2 | 152.4 | 117.9 | 56.4 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 770 | V | 26.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | 86.1 | 133.2 | 154 | -138.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 771 | T | 26.8 | Very low | 30 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 91.8 | 122.6 | 141.1 | 11.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 772 | T | 29.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | 59.1 | 126.3 | 140.3 | 43.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 773 | S | 25 | Very low | 29.4 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | 56.7 | 131.9 | 123 | -49.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 774 | G | 28.9 | Very low | 28.8 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | 109.2 | 129 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 775 | S | 28.4 | Very low | 28.4 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | cis | 59.5 | 122.9 | 15.5 | -67.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 776 | I | 27.9 | Very low | 28.2 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | cis | -164.2 | 144.8 | -2.6 | -145.4 | 165.9 | 0 | 0 | 0 | 111.9 | ||||
| 777 | I | 26 | Very low | 27.6 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 59% | 0.585 | 71% | 0.706 | S | S | * | * | trans | 66.1 | 144.6 | 146 | -85 | 167.4 | 0 | 0 | 0 | 121.5 | ||||
| 778 | N | 28.1 | Very low | 27.3 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | 72.1 | 147.7 | 158 | -78.3 | 1.1 | 0 | 0 | 0 | 120.9 | ||||
| 779 | S | 26.3 | Very low | 27.4 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 52% | 0.524 | 71% | 0.706 | S | S | . | * | cis | -162.5 | -170.1 | -11.2 | 48 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 780 | F | 30.1 | Very low | 27.4 | Very low | 177 Ų | 177 | 119 Ų | 119 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | 83.5 | 100 | -180 | -55.9 | -69.3 | 0 | 0 | 0 | 112 | ||||
| 781 | E | 26.5 | Very low | 27.7 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | cis | 52.4 | 136.3 | 44.4 | -67.4 | -147 | 84.9 | 0 | 0 | 113.3 | ||||
| 782 | S | 26.2 | Very low | 27.8 | Very low | 79 Ų | 79 | 119.2 Ų | 119.2 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | cis | -166.2 | -150.9 | -8.4 | -100.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 783 | T | 25.9 | Very low | 28 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | trans | 79.3 | 100.6 | 135.7 | -51.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 784 | I | 23.5 | Very low | 28.1 | Very low | 142 Ų | 142 | 118.5 Ų | 118.5 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | trans | 58.5 | 119.9 | 138.6 | -53.7 | 172.1 | 0 | 0 | 0 | 117.6 | T786 | I784-T786 HydrophobicContact CG2-CG2 4.16Š| ||
| 785 | V | 30.2 | Very low | 28 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | -171.1 | 107.1 | 124.3 | 140 | 0 | 0 | 0 | 0 | 103.4 | |||||
| 786 | T | 29.8 | Very low | 27.9 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | 46.8 | 136.6 | 87.1 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | I784 | I784-T786 HydrophobicContact CG2-CG2 4.16Š| |||
| 787 | S | 24.7 | Very low | 27.9 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | cis | -172.2 | -177.4 | 25.1 | 7.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 788 | L | 25.3 | Very low | 28 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | -0.5 | 148.3 | 128.8 | -51.2 | 82.6 | 0 | 0 | 0 | 115.7 | |||||
| 789 | V | 33 | Very low | 28 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | cis | -137.8 | 133.7 | 37.8 | -172 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 790 | D | 26.5 | Very low | 28.1 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | 40.6 | 144.1 | 92.6 | -34 | -73.3 | 0 | 0 | 0 | 113.3 | |||||
| 791 | E | 33.3 | Very low | 28.1 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | cis | -146.5 | 141.1 | 37.5 | -84.3 | -161.5 | 83.7 | 0 | 0 | 110.4 | ||||
| 792 | S | 29.3 | Very low | 28.4 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | 96.4 | 148.3 | 64.6 | 102.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 793 | N | 32.6 | Very low | 28.7 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | 65.4 | 123.7 | -175 | -46.5 | -59.5 | 0 | 0 | 0 | 115.6 | ||||
| 794 | G | 26.6 | Very low | 29 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | cis | 97.3 | 147.6 | 3.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 795 | I | 27.3 | Very low | 29.2 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | 71.8 | 135.7 | 178.9 | -51.9 | 170.6 | 0 | 0 | 0 | 113.4 | ||||
| 796 | A | 25.7 | Very low | 29 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 65% | 0.645 | 71% | 0.711 | S | S | * | * | cis | -171.7 | -152.2 | -24.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 797 | V | 29.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | trans | 77 | 115 | 138 | 156.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 798 | Y | 27.4 | Very low | 29.2 | Very low | 199 Ų | 199 | 131.2 Ų | 131.2 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 61.4 | 148.5 | 143.2 | -75.6 | -116.5 | 0 | 0 | 0 | 117.7 | ||||
| 799 | H | 28.6 | Very low | 30 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 58% | 0.583 | 73% | 0.728 | S | S | * | * | cis | 169.6 | 149 | -11.5 | -130.5 | -105.3 | 0 | 0 | 0 | 102.3 | ||||
| 800 | H | 29 | Very low | 29.8 | Very low | 162 Ų | 162 | 129 Ų | 129 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | trans | 63.9 | 147.6 | 161.8 | -64.9 | -45.6 | 0 | 0 | 0 | 118.5 | ||||
| 801 | S | 30 | Very low | 30.2 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | cis | -159.1 | 162.9 | -5.9 | -111.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 802 | S | 31.8 | Very low | 30 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 68.7 | 138.6 | 164.1 | -61.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 803 | S | 33 | Very low | 30.1 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -162.2 | 136.6 | -5.5 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 804 | Q | 31.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | 50.6 | 137.7 | 151.5 | -58.5 | -170.2 | 22.6 | 0 | 0 | 119.2 | ||||
| 805 | L | 28.9 | Very low | 29.9 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | cis | -148.8 | 147.9 | 8.4 | -125.4 | 159.5 | 0 | 0 | 0 | 109.4 | ||||
| 806 | S | 24.8 | Very low | 30 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | -117.5 | 177.5 | -179.1 | 67.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 807 | P | 32.3 | Very low | 30.4 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -139.5 | 171.1 | 6.8 | 43.8 | -26.2 | 0 | 0 | 0 | 117.7 | ||||
| 808 | Y | 25.8 | Very low | 30.3 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -74.9 | -158.3 | 153.1 | -91.1 | -83.5 | 0 | 0 | 0 | 110.3 | ||||
| 809 | P | 42.7 | Very low | 30.6 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -126.5 | -154.7 | -37 | 26.3 | -2.7 | 0 | 0 | 0 | 111.4 | ||||
| 810 | N | 29.7 | Very low | 30.6 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 54% | 0.54 | 75% | 0.754 | S | S | . | * | trans | -60.1 | 159 | 168.6 | -71.7 | -74.5 | 0 | 0 | 0 | 115.4 | T114 | T114-N810 PolarHBondContact O-ND2 2.77Å; T114-N810 PolarHBondContact O-OD1 3.34Å | ||
| 811 | N | 34.7 | Very low | 30.7 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -78.8 | 144.8 | -178.8 | -63.8 | -54.4 | 0 | 0 | 0 | 115 | ||||
| 812 | L | 29.3 | Very low | 30.6 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 173.8 | 117.6 | 128.4 | -96.6 | 158.4 | 0 | 0 | 0 | 111.4 | |||||
| 813 | L | 30.2 | Very low | 30.3 | Very low | 143 Ų | 143 | 137 Ų | 137 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | 167.9 | 148.5 | 105.8 | -140.3 | 74.2 | 0 | 0 | 0 | 114.5 | |||||
| 814 | R | 28.4 | Very low | 29.9 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 53.1 | 104 | 149.5 | -92 | -177.2 | 170.7 | -90.3 | -5.2 | 123.4 | ||||
| 815 | H | 28.2 | Very low | 29.7 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | 74.8 | 143.3 | 111.4 | -75.2 | 9.3 | 0 | 0 | 0 | 123.4 | |||||
| 816 | G | 27.9 | Very low | 29.4 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 107.1 | 128.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 817 | I | 35.2 | Very low | 29.5 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | cis | -138 | 163.2 | 5.6 | -74.3 | 172 | 0 | 0 | 0 | 109.5 | ||||
| 818 | N | 27.4 | Very low | 29.1 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -58.6 | 141.1 | -175.1 | -63.6 | -31.5 | 0 | 0 | 0 | 116.3 | ||||
| 819 | V | 33.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 130 Ų | 130 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | -131.6 | 138.8 | 114.2 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 820 | S | 28.6 | Very low | 28.8 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | trans | -141.9 | 133.4 | -167.6 | 58 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 821 | S | 32.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -137.7 | 136.8 | 167 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 822 | N | 27.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -114.9 | 151.2 | -160.8 | -71.7 | -29.6 | 0 | 0 | 0 | 114.8 | ||||
| 823 | S | 24 | Very low | 28.3 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | 66.2 | 127.5 | 144.6 | -170.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 824 | S | 24.9 | Very low | 28.2 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | 69.5 | 149 | 143.8 | 61.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 825 | T | 26.8 | Very low | 28.2 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | 65.5 | 160.8 | -179.7 | 80.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 826 | V | 24.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 122 Ų | 122 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | cis | -162.2 | 166.8 | -25.9 | 131.5 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 827 | S | 25.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | trans | 57 | 110.2 | 161.4 | 65.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 828 | N | 25.2 | Very low | 28 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | 78.2 | 147.4 | 119.6 | -61.1 | 3 | 0 | 0 | 0 | 122.3 | |||||
| 829 | H | 33 | Very low | 28.1 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | trans | 59.1 | 107.2 | 159.5 | -57.3 | -48 | 0 | 0 | 0 | 116.5 | ||||
| 830 | N | 28.9 | Very low | 27.7 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | S | Bend | cis | -157 | 157.8 | 11.4 | -77.8 | -41.2 | 0 | 0 | 0 | 106.9 | ||
| 831 | N | 27.2 | Very low | 27.7 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | cis | -167.2 | 161.4 | -0.4 | -109.7 | 2 | 0 | 0 | 0 | 107.6 | ||||
| 832 | S | 28.1 | Very low | 27.4 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 51% | 0.51 | 70% | 0.696 | S | S | . | * | cis | 56.6 | 98.2 | 19.5 | -80.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 833 | F | 28.3 | Very low | 28 | Very low | 188 Ų | 188 | 120.2 Ų | 120.2 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | -139.6 | 147.8 | 52.3 | -77.3 | -95.2 | 0 | 0 | 0 | 111.2 | |||||
| 834 | D | 26.4 | Very low | 28.4 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 52% | 0.519 | 70% | 0.695 | S | S | . | * | cis | -170.6 | 173 | -13.3 | -131 | 25.7 | 0 | 0 | 0 | 110.5 | ||||
| 835 | N | 28.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | 69.5 | 129.6 | 146.4 | -83.8 | -51.9 | 0 | 0 | 0 | 122.8 | ||||
| 836 | I | 29.4 | Very low | 28.7 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | trans | 85.4 | 98.8 | 131.5 | -69.5 | 169.1 | 0 | 0 | 0 | 118.9 | ||||
| 837 | N | 29.8 | Very low | 29 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | trans | 71.9 | 144.9 | 131.3 | -61.5 | 3.5 | 0 | 0 | 0 | 119.4 | ||||
| 838 | N | 29.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | cis | -157.7 | 154.7 | -0.4 | -127.7 | -11.6 | 0 | 0 | 0 | 114.1 | ||||
| 839 | L | 28.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | 48.1 | 137.3 | 144.9 | -74.3 | 163.5 | 0 | 0 | 0 | 122.1 | I1318 | L839-I1318 HydrophobicContact CD1-CD1 4.17Š| ||
| 840 | S | 26.4 | Very low | 28.7 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -103.7 | 157 | -179.7 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 841 | C | 26.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 128 Ų | 128 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | trans | 64.3 | 167.7 | 148 | -67.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 842 | T | 26.9 | Very low | 28.6 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -121.4 | 155.3 | 172.4 | 43.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 843 | P | 39.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | trans | -117 | 172.1 | -156 | 42.1 | -33 | 0 | 0 | 0 | 115.4 | ||||
| 844 | T | 32.5 | Very low | 28.5 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -164.4 | 96.3 | 144.6 | -71.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 845 | V | 29.7 | Very low | 28.6 | Very low | 120 Ų | 120 | 126 Ų | 126 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 68.9 | 110.7 | 79.8 | 176.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 846 | C | 28.3 | Very low | 28.5 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -143.2 | 163.5 | 145.1 | -96.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 847 | Y | 30.5 | Very low | 28.3 | Very low | 215 Ų | 215 | 126.9 Ų | 126.9 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -48.5 | 163.4 | 177.8 | -69.1 | -107.6 | 0 | 0 | 0 | 114.8 | ||||
| 848 | S | 27.8 | Very low | 28 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | cis | -175.6 | 134.9 | -25.3 | -93.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 849 | S | 25.3 | Very low | 27.8 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 49 | 69.7 | 156.4 | -55.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 850 | V | 25.9 | Very low | 27.6 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -119.9 | 100.4 | 149.7 | 174.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 851 | Q | 27.1 | Very low | 27.9 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | 45.5 | 86.9 | 77.5 | -170.2 | 154.1 | -5 | 0 | 0 | 113.8 | |||||
| 852 | T | 26.8 | Very low | 27.8 | Very low | 104 Ų | 104 | 130 Ų | 130 | 64% | 0.638 | 76% | 0.756 | S | S | * | * | trans | 51 | 100.8 | 158.9 | 49.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 853 | C | 23.9 | Very low | 27.9 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | 30.3 | 82.7 | 68.6 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 854 | P | 30.8 | Very low | 27.4 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -92.5 | 176 | -164 | 37.8 | -38.4 | 0 | 0 | 0 | 114.1 | ||||
| 855 | S | 28.3 | Very low | 27.1 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 55.1 | 110.8 | 157.9 | 49.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 856 | V | 25.9 | Very low | 27.6 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | 67.9 | 132.4 | 51.3 | -173.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 857 | N | 24.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -14.5 | 149.6 | 170.5 | -52.2 | -4 | 0 | 0 | 0 | 118.6 | I859 | N857-I859 PolarHBondContact O-N 3.49Å; N857-I859 VanDerWaalsContact O-N 3.14Å |
| 858 | E | 23.5 | Very low | 27.8 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -46.2 | 114.6 | 168.8 | -63.3 | 176.6 | 107.9 | 0 | 0 | 112.9 | T860 | E858-T860 VanDerWaalsContact C-N 3.34Å; E858-T860 PolarHBondContact O-N 3.37Å | ||
| 859 | I | 25.5 | Very low | 28 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -94.5 | 75.6 | 155.9 | -59.1 | -178.3 | 0 | 0 | 0 | 107 | N857 I861 | N857-I859 PolarHBondContact O-N 3.49Å; N857-I859 VanDerWaalsContact O-N 3.14Å; I859-I861 HydrophobicContact CG2-CB 4.47Å; I859-I861 HydrophobicContact CG2-CD1 3.61Å; I859-I861 HydrophobicContact CG2-CG1 3.67Å; I859-I861 PolarHBondContact O-N 3.42Å | ||
| 860 | T | 24.7 | Very low | 28.2 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 75.5 | 167.1 | -57.5 | 0 | 0 | 0 | 0 | 108.4 | E858 C862 | E858-T860 VanDerWaalsContact C-N 3.34Å; E858-T860 PolarHBondContact O-N 3.37Å; T860-C862 PolarHBondContact O-N 2.74Å | ||
| 861 | I | 32.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | trans | -72.3 | 90.5 | 162.7 | -73.1 | 168.5 | 0 | 0 | 0 | 107.5 | I859 | I859-I861 HydrophobicContact CG2-CB 4.47Å; I859-I861 HydrophobicContact CG2-CD1 3.61Å; I859-I861 HydrophobicContact CG2-CG1 3.67Å; I859-I861 PolarHBondContact O-N 3.42Å | ||
| 862 | C | 24.8 | Very low | 28.6 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | trans | -47.8 | 155 | 160.3 | -76 | 0 | 0 | 0 | 0 | 112.5 | T860 | T860-C862 PolarHBondContact O-N 2.74Š| ||
| 863 | S | 27.5 | Very low | 28.8 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 57% | 0.573 | 75% | 0.746 | S | S | * | * | cis | -174.4 | 172.9 | -4.4 | 43.8 | 0 | 0 | 0 | 0 | 111.7 | L865 | S863-L865 WeakPolarHBondContact O-CD1 3.32Å; S863-L865 WeakPolarHBondContact OG-CD1 3.01Å | ||
| 864 | K | 29.4 | Very low | 29.1 | Very low | 207 Ų | 207 | 126.6 Ų | 126.6 | 90% | 0.9 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -117.1 | 103 | 132.7 | -74.6 | -177.5 | 175.7 | 179.3 | 0 | 105.9 | ||
| 865 | L | 27.2 | Very low | 28.8 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | 67.3 | 145 | 75 | -83.9 | 89.5 | 0 | 0 | 0 | 113.5 | S863 | S863-L865 WeakPolarHBondContact O-CD1 3.32Å; S863-L865 WeakPolarHBondContact OG-CD1 3.01Å | |||
| 866 | P | 40.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -143.7 | 153.1 | -25.3 | 37.7 | -20.1 | 0 | 0 | 0 | 116.3 | ||||
| 867 | S | 31.7 | Very low | 29.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -178.5 | 133.8 | 146.5 | -76.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 868 | S | 30.9 | Very low | 29.5 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | cis | 84.5 | 114.1 | 24.7 | 83.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 869 | Q | 30.7 | Very low | 29.9 | Very low | 180 Ų | 180 | 119.8 Ų | 119.8 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | 72.3 | 139.8 | 178.2 | -53.4 | -170.8 | 10.7 | 0 | 0 | 114.9 | ||||
| 870 | L | 29.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 118.2 Ų | 118.2 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | cis | -135.8 | 152.6 | -1 | -84.2 | 105.9 | 0 | 0 | 0 | 112.8 | ||||
| 871 | V | 29.8 | Very low | 30.4 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | 35.1 | 113.8 | 138.7 | -174.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 872 | A | 32 | Very low | 30.5 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | -176.1 | 147.5 | 118.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 873 | S | 31.6 | Very low | 30.8 | Very low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | trans | -26.5 | 121.2 | 174.3 | 48.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 874 | S | 29.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | cis | 89.5 | 83.7 | 49.9 | -63.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 875 | L | 24.7 | Very low | 30.8 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 92% | 0.916 | 72% | 0.717 | S | S | * | * | 42 | 160.9 | 116.8 | -70.2 | 170.9 | 0 | 0 | 0 | 122.8 | |||||
| 876 | P | 40.9 | Very low | 30.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | -115.8 | -171.7 | -150.4 | 45.1 | -37.4 | 0 | 0 | 0 | 115.5 | ||||
| 877 | V | 26.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -162.2 | 170.9 | 149.8 | 124.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 878 | C | 26.3 | Very low | 30.2 | Very low | 40 Ų | 40 | 121 Ų | 121 | 27% | 0.27 | 71% | 0.705 | S | S | . | * | trans | -70.9 | 125.3 | -160.5 | -52 | 0 | 0 | 0 | 0 | 121.2 | V278 I279 H280 | V278-C878 WeakPolarHBondContact CA-O 3.46Å; V278-C878 PolarHBondContact N-O 3.38Å; I279-C878 HydrophobicContact CG1-CB 4.3Å; H280-C878 VanDerWaalsContact CD2-SG 3.55Å; H280-C878 PolarHBondContact NE2-SG 2.81Å | ||
| 879 | S | 30.6 | Very low | 30.1 | Very low | 56 Ų | 56 | 124 Ų | 124 | 39% | 0.392 | 71% | 0.708 | S | S | . | * | 80.8 | 175.7 | 115.4 | -48.1 | 0 | 0 | 0 | 0 | 125 | I279 H280 | I279-S879 WeakPolarHBondContact O-CB 3.47Å; H280-S879 PolarHBondContact CD2-OG 2.86Å; H280-S879 PolarHBondContact N-OG 2.92Å | |||
| 880 | N | 30.4 | Very low | 30 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | trans | 95.6 | 167.3 | 172.6 | -112.2 | -22.8 | 0 | 0 | 0 | 118.9 | V278 | V278-N880 PolarHBondContact O-ND2 2.82Š| ||
| 881 | N | 31.9 | Very low | 29.9 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -93.7 | 159.7 | -145 | -102.2 | -19.3 | 0 | 0 | 0 | 118.7 | ||||
| 882 | T | 32.7 | Very low | 30 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | 67.5 | 110.9 | 149.6 | 44.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 883 | V | 31.5 | Very low | 29.7 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | 77.6 | 129.3 | 120.6 | 175.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 884 | L | 26 | Very low | 29.6 | Very low | 156 Ų | 156 | 125 Ų | 125 | 82% | 0.817 | 71% | 0.709 | S | S | * | * | trans | 63 | 95 | 160.2 | -76.4 | 165.8 | 0 | 0 | 0 | 121.4 | ||||
| 885 | H | 32.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | -7.4 | 130.9 | 128.6 | -176.7 | -85 | 0 | 0 | 0 | 118.5 | |||||
| 886 | V | 28.8 | Very low | 30 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 71% | 0.709 | 69% | 0.692 | S | S | * | * | -173.7 | 113.6 | 128.7 | 143.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 887 | T | 28.5 | Very low | 29.4 | Very low | 95 Ų | 95 | 120 Ų | 120 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | trans | 39 | 170.7 | 144.1 | 83.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 888 | H | 28.7 | Very low | 29.6 | Very low | 140 Ų | 140 | 121.4 Ų | 121.4 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | cis | -148.4 | 148.7 | 4.1 | -117.9 | -42.9 | 0 | 0 | 0 | 112.4 | ||||
| 889 | Q | 27.5 | Very low | 29.8 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | 38.6 | 126.2 | 142.2 | -72.8 | 167 | -11.3 | 0 | 0 | 122.8 | ||||
| 890 | S | 28.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | -164 | 154.7 | 125.5 | -2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 891 | V | 29.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | cis | 176.8 | 159.5 | -27.3 | 113.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 892 | P | 30.9 | Very low | 30 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | cis | -129.7 | -158 | -24.8 | 42 | -24.1 | 0 | 0 | 0 | 112.4 | ||||
| 893 | I | 26.1 | Very low | 29.7 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -76.8 | 146.1 | 169.4 | -65.9 | 153.4 | 0 | 0 | 0 | 111.7 | ||||
| 894 | M | 28.6 | Very low | 30.2 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | -176.2 | 108 | 125.7 | -95.1 | -179.6 | 79.8 | 0 | 0 | 109.1 | |||||
| 895 | S | 31 | Very low | 30.4 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 52% | 0.517 | 71% | 0.705 | S | S | . | * | 86.2 | 151.1 | 65 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 896 | N | 32.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | cis | -160.9 | 158 | 34.6 | -113.1 | -38 | 0 | 0 | 0 | 112.5 | ||||
| 897 | G | 28.2 | Very low | 29.9 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | trans | 81.5 | 164.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 898 | I | 30.4 | Very low | 29.7 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | cis | -127.9 | 102.4 | 4.5 | -66.6 | -178.2 | 0 | 0 | 0 | 111.5 | ||||
| 899 | T | 30.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | trans | 34.6 | 122.7 | 140.4 | 65.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 900 | V | 25.5 | Very low | 29.5 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | trans | 57.4 | 113.5 | 138.1 | -172.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 901 | S | 33.2 | Very low | 29.3 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 48% | 0.483 | 71% | 0.713 | S | S | . | * | trans | 84 | 130.6 | -168.7 | -29.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 902 | D | 39 | Very low | 29.2 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | S | Bend | cis | -101.9 | 141.4 | 0.4 | -70.1 | -46.1 | 0 | 0 | 0 | 113.4 | ||
| 903 | L | 27 | Very low | 28.8 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 82% | 0.817 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -93.5 | 130.3 | -4.3 | -91.6 | 176.3 | 0 | 0 | 0 | 113.6 | K905 | L903-K905 PolarHBondContact O-N 3.42Š|
| 904 | L | 41.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 49% | 0.487 | 71% | 0.711 | S | S | . | * | trans | -44.3 | 91.5 | 149 | -174.3 | 80.1 | 0 | 0 | 0 | 112.6 | ||||
| 905 | K | 29.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | trans | 73 | 152.1 | 140.3 | -59.2 | 172.4 | -175.5 | 167.8 | 0 | 117.1 | L903 | L903-K905 PolarHBondContact O-N 3.42Š| ||
| 906 | L | 25.8 | Very low | 28.5 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | cis | -157.6 | 167.7 | -10.4 | -120.6 | 169.1 | 0 | 0 | 0 | 110.9 | ||||
| 907 | F | 24.7 | Very low | 28.2 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | trans | -80.7 | 162.3 | 157.4 | -128.4 | -95.7 | 0 | 0 | 0 | 110.1 | ||||
| 908 | T | 26 | Very low | 28.4 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 72% | 0.718 | S | S | * | * | trans | 72.5 | 130.1 | 169.1 | 65.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 909 | T | 24.4 | Very low | 28.4 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | trans | 45.6 | 113.6 | 146.5 | 58.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 910 | Q | 27.4 | Very low | 28.3 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | -163.8 | 151.6 | 73.2 | -88.2 | -75.4 | 44.4 | 0 | 0 | 113.3 | |||||
| 911 | L | 23 | Very low | 28.6 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | trans | 30 | 136.7 | 146.2 | -67 | 163.8 | 0 | 0 | 0 | 123.3 | ||||
| 912 | T | 27.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | trans | 60.2 | 105.8 | 141.3 | 56.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 913 | N | 23.6 | Very low | 27.8 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | 37.1 | 130.4 | 116.9 | -55.3 | -0.8 | 0 | 0 | 0 | 121 | |||||
| 914 | N | 23.8 | Very low | 27.8 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | 79.4 | 106.7 | 148.8 | -62.3 | -11 | 0 | 0 | 0 | 121.3 | ||||
| 915 | S | 25.6 | Very low | 27 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 53.7 | 119.1 | 134.4 | 66.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 916 | G | 29.4 | Very low | 26.9 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -150.4 | 66.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 917 | N | 27.4 | Very low | 26.9 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 60% | 0.599 | 73% | 0.728 | S | S | * | * | trans | -32.4 | 137.1 | 174.4 | -82.9 | -80.5 | 0 | 0 | 0 | 119.5 | K920 | N917-K920 HydrophobicContact CB-CG 4.48Å; N917-K920 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 918 | S | 31.4 | Very low | 27 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | S | Bend | -165.8 | 129.2 | 127.4 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | |||
| 919 | N | 29.8 | Very low | 27 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -132.9 | 119 | -11.8 | -64.9 | -52.9 | 0 | 0 | 0 | 107.4 | ||
| 920 | K | 29.6 | Very low | 27.2 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | 75.9 | 147.4 | 72.7 | -93.1 | -171.3 | 174.1 | 178.3 | 0 | 114.9 | N917 | N917-K920 HydrophobicContact CB-CG 4.48Å; N917-K920 WeakPolarHBondContact OD1-CG 3.44Å | |||
| 921 | P | 30.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | cis | -140.5 | -173.2 | 0.5 | 35.9 | -13.1 | 0 | 0 | 0 | 117 | ||||
| 922 | V | 27.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 124 Ų | 124 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | trans | 92 | 100.8 | 154.4 | -178.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 923 | I | 29.1 | Very low | 27.3 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | trans | 80.3 | 116.6 | 133.5 | -66.4 | -179.6 | 0 | 0 | 0 | 124.2 | ||||
| 924 | F | 26.4 | Very low | 27.5 | Very low | 176 Ų | 176 | 121 Ų | 121 | 77% | 0.772 | 70% | 0.703 | S | S | * | * | trans | 36.8 | 140.9 | 139 | -69.8 | -98.2 | 0 | 0 | 0 | 126.3 | ||||
| 925 | D | 24.2 | Very low | 27.6 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | 54.8 | 154.1 | 136 | -72 | -6.1 | 0 | 0 | 0 | 122.9 | ||||
| 926 | S | 28 | Very low | 27.7 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | cis | -166.8 | 158.1 | -10.2 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 927 | T | 25.5 | Very low | 27.7 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 66% | 0.656 | 69% | 0.694 | S | S | * | * | trans | 41.7 | 144.5 | 146.9 | 55.8 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 928 | L | 27.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | trans | 70.7 | 158.4 | 147.1 | -98.8 | 75.1 | 0 | 0 | 0 | 118.4 | ||||
| 929 | D | 25.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 129 Ų | 129 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | cis | -154.5 | 164.3 | -18.6 | -152.3 | 8.5 | 0 | 0 | 0 | 114.5 | ||||
| 930 | N | 27.9 | Very low | 27.4 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 58% | 0.578 | 71% | 0.706 | S | S | * | * | trans | 31 | 123.7 | 145.9 | -83.8 | -45.1 | 0 | 0 | 0 | 124.9 | ||||
| 931 | N | 26.9 | Very low | 27.2 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | 77.7 | 120.5 | 124.6 | -69.4 | -31.7 | 0 | 0 | 0 | 124.8 | |||||
| 932 | N | 25.8 | Very low | 27.1 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | 59.4 | 137.4 | 125.6 | -65.2 | -38.2 | 0 | 0 | 0 | 121.5 | |||||
| 933 | S | 27.1 | Very low | 27.3 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | cis | -167.6 | 163.7 | -0.6 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 934 | S | 28.1 | Very low | 27.5 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 34.1 | 124.4 | 147.5 | -54.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 935 | Y | 26.8 | Very low | 27.7 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | -170.3 | 152 | 76.1 | -112.3 | -83.3 | 0 | 0 | 0 | 112.8 | |||||
| 936 | S | 27 | Very low | 28.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | 54.1 | 143.9 | 154.4 | -74.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 937 | S | 29.1 | Very low | 28.3 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | cis | -171.4 | 145.5 | -8.9 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 938 | K | 30 | Very low | 28.6 | Very low | 191 Ų | 191 | 121.3 Ų | 121.3 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | trans | 62.6 | 121.5 | 169.8 | -61 | -177.9 | 174.3 | -179.6 | 0 | 113.8 | ||||
| 939 | V | 26.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | 50.8 | 105.9 | 70.6 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 940 | Q | 26.4 | Very low | 28.8 | Very low | 171 Ų | 171 | 121.2 Ų | 121.2 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | -158.8 | 163.7 | 59 | -143.9 | 146.3 | -37 | 0 | 0 | 112.8 | |||||
| 941 | S | 25.8 | Very low | 28.9 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | trans | 49 | 97.8 | 154.4 | 56.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 942 | T | 28.6 | Very low | 29 | Very low | 132 Ų | 132 | 119.2 Ų | 119.2 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | -82.4 | 147.8 | 137.9 | 17 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 943 | I | 32.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | cis | -170 | 154.6 | 45.5 | -118.7 | 148.8 | 0 | 0 | 0 | 105 | ||||
| 944 | T | 31.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | cis | -151.7 | 135.7 | 21.9 | 7.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 945 | L | 30.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 119.9 Ų | 119.9 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | 69.5 | 164.7 | 85.8 | -67.5 | -173.3 | 0 | 0 | 0 | 116.4 | |||||
| 946 | P | 36.8 | Very low | 29.4 | Very low | 79 Ų | 79 | 116 Ų | 116 | 51% | 0.513 | 69% | 0.687 | S | S | . | * | cis | -121 | -174.9 | -16.5 | 34.6 | -16 | 0 | 0 | 0 | 111.6 | ||||
| 947 | C | 29.3 | Very low | 29.4 | Very low | 60 Ų | 60 | 118.1 Ų | 118.1 | 41% | 0.405 | 69% | 0.69 | S | S | . | * | cis | -129.4 | 155.4 | 9.1 | -60 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 948 | A | 30.1 | Very low | 29.4 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 50% | 0.496 | 70% | 0.701 | S | S | . | * | cis | 64.5 | 135.9 | 46.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1295 | A948-F1295 VanDerWaalsContact O-CE1 3.25Å; A948-F1295 WeakPolarHBondContact O-CE1 3.14Å | ||
| 949 | L | 27.1 | Very low | 29.3 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 48% | 0.482 | 70% | 0.702 | S | S | . | * | cis | -166.7 | 150.5 | -10.1 | -119.5 | 172.2 | 0 | 0 | 0 | 109 | T1293 T1294 | L949-T1293 HydrophobicContact CB-CG2 4.42Å; L949-T1293 HydrophobicContact CD1-CG2 4.1Å; L949-T1293 HydrophobicContact CD2-CG2 4.23Å; L949-T1294 VanDerWaalsContact CB-OG1 3.32Å; L949-T1294 WeakPolarHBondContact CB-OG1 3.2Å | ||
| 950 | N | 30.8 | Very low | 29.3 | Very low | 140 Ų | 140 | 124 Ų | 124 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -159.4 | 161.9 | 150.2 | -120.1 | -16.1 | 0 | 0 | 0 | 114.7 | ||||
| 951 | A | 31.2 | Very low | 29.2 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | -67.5 | 170.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 952 | S | 29 | Very low | 29.1 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | cis | -154.9 | 176.5 | 26.2 | -160 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 953 | K | 30.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 51% | 0.513 | 69% | 0.693 | S | S | . | * | trans | -62 | 164.6 | 169.1 | -65.1 | 172.9 | -177.7 | 176.8 | 0 | 111.4 | T1291 | K953-T1291 WeakPolarHBondContact CE-OG1 3.28Å; K953-T1291 PolarHBondContact NZ-OG1 2.96Å | ||
| 954 | N | 25.1 | Very low | 28.6 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | cis | -162.7 | 174.1 | 4.1 | -123.2 | 5.3 | 0 | 0 | 0 | 109.7 | ||||
| 955 | A | 29.7 | Very low | 28.2 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | trans | 127.8 | 133.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 956 | T | 29.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | trans | 58.1 | 125.6 | 147.4 | 50.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 957 | N | 27.1 | Very low | 27.7 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -12.7 | 136.9 | 151.8 | -61.3 | -22.5 | 0 | 0 | 0 | 118.6 | ||||
| 958 | N | 28.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | -162.2 | 162.3 | 115.1 | -109.6 | -29.1 | 0 | 0 | 0 | 114 | |||||
| 959 | K | 28.4 | Very low | 27.7 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | trans | -142 | 147.6 | 171.4 | -128.6 | 179.7 | -173.1 | 175 | 0 | 108.6 | ||||
| 960 | Q | 26.4 | Very low | 27.7 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 96.6 | 146.8 | 176.1 | -56 | -169.5 | 15.5 | 0 | 0 | 118.1 | ||||
| 961 | N | 25.3 | Very low | 27.5 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | trans | 65.7 | 137.6 | 157 | -56.8 | -24.3 | 0 | 0 | 0 | 116.9 | ||||
| 962 | I | 23.7 | Very low | 27.4 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | cis | 69.1 | 101.4 | 49.3 | -59.6 | 176.6 | 0 | 0 | 0 | 111.9 | ||||
| 963 | L | 22.3 | Very low | 27.4 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 56.5 | 130 | 170.6 | -82.7 | 75.6 | 0 | 0 | 0 | 115.9 | ||||
| 964 | F | 26.8 | Very low | 27.3 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -151.3 | 165.6 | 75 | -117.3 | -89.8 | 0 | 0 | 0 | 114.8 | |||||
| 965 | N | 23.5 | Very low | 27.5 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 140.6 | 168.9 | -77.3 | -11.6 | 0 | 0 | 0 | 112 | ||||
| 966 | G | 28.6 | Very low | 27.4 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | -140.7 | 126.7 | 140.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 967 | N | 27.9 | Very low | 27.4 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | 58.7 | 109.1 | 66.5 | -67 | -0.6 | 0 | 0 | 0 | 109.3 | |||||
| 968 | L | 27.4 | Very low | 27.4 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | cis | -135.5 | 179.1 | 29.9 | -111.9 | 61.7 | 0 | 0 | 0 | 112.6 | ||||
| 969 | P | 31.8 | Very low | 27.9 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -140.3 | -150.9 | -139.8 | 29.7 | -0.1 | 0 | 0 | 0 | 114 | ||||
| 970 | L | 27.3 | Very low | 28.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | trans | 79.1 | 110.4 | 160.1 | -52.5 | -173.6 | 0 | 0 | 0 | 115.6 | ||||
| 971 | L | 26.7 | Very low | 28.2 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | 82.7 | 144.9 | 77.7 | -81.2 | -168.3 | 0 | 0 | 0 | 112.5 | |||||
| 972 | A | 29.6 | Very low | 28.5 | Very low | 66 Ų | 66 | 130 Ų | 130 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | cis | -156 | 159.5 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 973 | N | 28.7 | Very low | 28.8 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | 63.2 | 147.4 | 143.8 | -65.8 | -4 | 0 | 0 | 0 | 119.8 | ||||
| 974 | S | 28.7 | Very low | 28.9 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -165.3 | 160.5 | -8.5 | 41.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 975 | S | 30.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | 62.3 | 139.2 | 166.6 | 49.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 976 | S | 27 | Very low | 28.8 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -168.4 | 175.7 | -9.4 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 977 | I | 28.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 85 | 142.3 | 166.1 | -53.4 | 165.2 | 0 | 0 | 0 | 116.6 | ||||
| 978 | S | 28.9 | Very low | 28.4 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | 63.1 | 78.2 | 167.9 | 48.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 979 | S | 37.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | 53 | 96.7 | 125.1 | 62.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 980 | P | 34.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -108.1 | 140.4 | 135.6 | 34.4 | -26.8 | 0 | 0 | 0 | 109.7 | ||||
| 981 | Y | 27.6 | Very low | 27.8 | Very low | 220 Ų | 220 | 124.6 Ų | 124.6 | 86% | 0.863 | 72% | 0.715 | S | S | * | * | cis | 56.6 | 72.6 | 49.1 | -81.5 | -75.5 | 0 | 0 | 0 | 115.5 | ||||
| 982 | S | 31.4 | Very low | 27.8 | Very low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | trans | -179.1 | 131.4 | 130.8 | -88.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 983 | V | 29.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 75% | 0.745 | 70% | 0.695 | S | S | * | * | trans | 74.4 | 141.1 | 132 | 174.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 984 | N | 24.5 | Very low | 27.5 | Very low | 141 Ų | 141 | 118 Ų | 118 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | trans | 79.1 | 107.6 | 163 | -79.4 | -18.4 | 0 | 0 | 0 | 121 | ||||
| 985 | N | 24.5 | Very low | 27.7 | Very low | 145 Ų | 145 | 119.4 Ų | 119.4 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | 64.1 | 144.3 | 119.7 | -119.6 | -4.2 | 0 | 0 | 0 | 121.7 | |||||
| 986 | T | 23.6 | Very low | 27.4 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | trans | 76.4 | 141.6 | 171.2 | 74 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 987 | V | 23.9 | Very low | 27.4 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | 75.9 | 119.4 | 141.7 | 162.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 988 | I | 24.1 | Very low | 27.3 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | 86.6 | 100.2 | 150.1 | -80.4 | 170.2 | 0 | 0 | 0 | 119.8 | ||||
| 989 | K | 22.9 | Very low | 27.5 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | 59 | 133.5 | 124.1 | -66.7 | 173.9 | 160.8 | -167.2 | 0 | 121.7 | |||||
| 990 | Q | 23.5 | Very low | 26.8 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 49% | 0.491 | 70% | 0.704 | S | S | . | * | trans | 68.4 | 143.4 | 133.7 | -63.7 | 156.9 | -15.4 | 0 | 0 | 115.2 | I708 | I708-Q990 VanDerWaalsContact CD1-CD 3.5Å; I708-Q990 HydrophobicContact CD1-CG 4Å; I708-Q990 HydrophobicContact CG1-CG 4.35Å; I708-Q990 HydrophobicContact CG2-CB 4.3Å; I708-Q990 HydrophobicContact CG2-CG 4.38Å | ||
| 991 | D | 27.7 | Very low | 26.4 | Very low | 108 Ų | 108 | 131 Ų | 131 | 58% | 0.578 | 71% | 0.706 | S | S | * | * | cis | -120.9 | -174.6 | 13.4 | -33.4 | -70.5 | 0 | 0 | 0 | 110.5 | I708 | I708-D991 HydrophobicContact CG2-CB 3.93Å; I708-D991 VanDerWaalsContact CG2-OD1 3.28Å; I708-D991 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 992 | D | 27 | Very low | 26.5 | Very low | 81 Ų | 81 | 126 Ų | 126 | 43% | 0.433 | 70% | 0.699 | S | S | . | * | cis | -151.4 | -162.7 | -11.3 | -148.7 | -28.4 | 0 | 0 | 0 | 110.6 | K709 | K709-D992 WeakPolarHBondContact CA-OD2 3.39Å; K709-D992 WeakPolarHBondContact CE-OD1 3.45Å; K709-D992 VanDerWaalsContact CG-CG 3.45Å; K709-D992 WeakPolarHBondContact CG-OD1 3.45Å; K709-D992 WeakPolarHBondContact CG-OD2 3.42Å | ||
| 993 | C | 24.7 | Very low | 26.3 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 51% | 0.514 | 70% | 0.698 | S | S | . | * | trans | -147.1 | -179.9 | -178.6 | -1 | 0 | 0 | 0 | 0 | 114.1 | K709 | K709-C993 WeakPolarHBondContact CE-O 3.36Š| ||
| 994 | A | 25.4 | Very low | 26.2 | Very low | 77 Ų | 77 | 128 Ų | 128 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | 83.2 | 157 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 995 | P | 33.9 | Very low | 26.4 | Very low | 122 Ų | 122 | 126 Ų | 126 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | cis | -110.2 | 142.2 | 2.6 | 37.6 | -27.8 | 0 | 0 | 0 | 116.1 | ||||
| 996 | I | 24.2 | Very low | 26.6 | Very low | 159 Ų | 159 | 125 Ų | 125 | 82% | 0.815 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -112.4 | 112.5 | 143.8 | -71.4 | -179 | 0 | 0 | 0 | 105.8 | ||
| 997 | Y | 26.8 | Very low | 26.9 | Very low | 215 Ų | 215 | 125 Ų | 125 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | 53.2 | 117 | 162.3 | -79.3 | -100.2 | 0 | 0 | 0 | 120.4 | ||||
| 998 | T | 26.9 | Very low | 27.1 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | -87 | -173.3 | 141.2 | 62.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 999 | P | 32.1 | Very low | 27.8 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | -122.5 | -174 | -111.9 | 31.3 | -8.8 | 0 | 0 | 0 | 114.7 | |||||
| 1000 | L | 24.4 | Very low | 28.2 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | trans | 44 | 107.5 | 156.2 | -95.9 | 63.9 | 0 | 0 | 0 | 119.8 | ||||
| 1001 | E | 24.9 | Very low | 28.4 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | 35.4 | 121.7 | 114.4 | -74.7 | -175.6 | 162 | 0 | 0 | 121.5 | |||||
| 1002 | T | 30.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | 78.7 | 116.1 | 129.6 | -48.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1003 | I | 27 | Very low | 28.3 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -141.9 | 144.7 | 146.3 | -42.1 | -179.7 | 0 | 0 | 0 | 104 | ||||
| 1004 | I | 28.7 | Very low | 28.4 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | cis | -131 | 145.6 | 23.1 | -54.1 | 152.4 | 0 | 0 | 0 | 109.6 | ||||
| 1005 | T | 27.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | cis | 92.2 | 77.6 | 1.3 | 82 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1006 | T | 28.8 | Very low | 28.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -169 | 147.1 | 160.6 | 28 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1007 | T | 29.6 | Very low | 29 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | cis | -158.4 | 164.5 | -17.3 | 8.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1008 | T | 29 | Very low | 29.5 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | -35.4 | -180 | 161.4 | 27.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1009 | P | 38.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | cis | -152.8 | 170.9 | 32.9 | 45.9 | -23.8 | 0 | 0 | 0 | 123 | ||||
| 1010 | A | 31.3 | Very low | 29.6 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | trans | 17.1 | 158.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1011 | M | 27.5 | Very low | 29.7 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | cis | -174.6 | 177.3 | -31.9 | -130.2 | -76.8 | 161.1 | 0 | 0 | 110.3 | ||||
| 1012 | T | 27 | Very low | 30.7 | Very low | 109 Ų | 109 | 131 Ų | 131 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | 78.9 | 127.3 | 165.1 | 62.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1013 | N | 25.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 79.8 | 129.1 | 136.6 | -67 | 13.2 | 0 | 0 | 0 | 124.7 | ||||
| 1014 | E | 27.2 | Very low | 31.1 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | 75.1 | 134 | 151.9 | -66.8 | -174.1 | 178.3 | 0 | 0 | 123.7 | ||||
| 1015 | F | 30.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | -41.4 | 159.3 | 174 | -78.1 | -88.1 | 0 | 0 | 0 | 116.6 | ||||
| 1016 | P | 32.7 | Very low | 31.3 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | cis | -148.9 | 166.7 | 44.4 | 44 | -24 | 0 | 0 | 0 | 120.9 | ||||
| 1017 | M | 32.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | trans | -79.2 | -174.7 | 157.7 | -82.8 | -75.5 | -78 | 0 | 0 | 110 | ||||
| 1018 | P | 38.2 | Very low | 31.2 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -122.3 | -151.2 | 9.7 | 31.7 | -6.1 | 0 | 0 | 0 | 111.5 | ||||
| 1019 | I | 29.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | cis | -151.6 | -176.9 | 16.3 | 4.4 | 174.3 | 0 | 0 | 0 | 108.3 | ||||
| 1020 | L | 32 | Very low | 30.9 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | cis | -141.1 | 149.9 | 13.9 | -130.2 | 178.9 | 0 | 0 | 0 | 109.9 | ||||
| 1021 | S | 26 | Very low | 31.2 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | trans | -105.5 | 178.2 | -174.5 | -44 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1022 | P | 45.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | -118 | 150.4 | 89.8 | -4.7 | 25.5 | 0 | 0 | 0 | 112.8 | |||||
| 1023 | S | 32.2 | Very low | 31.6 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | 77.2 | 135.9 | 36.4 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1024 | I | 33.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | cis | -152.7 | 128.9 | 23.9 | -123 | 144.4 | 0 | 0 | 0 | 110.8 | ||||
| 1025 | I | 28 | Very low | 32.8 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | 66.5 | 109.1 | 98.8 | -55.9 | 178.4 | 0 | 0 | 0 | 118.5 | |||||
| 1026 | K | 32.7 | Very low | 32.7 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | 165.9 | 152.9 | 131.3 | -96.6 | 179.4 | 177.8 | 176.7 | 0 | 110.2 | ||||
| 1027 | L | 28.9 | Very low | 32.4 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | cis | -169.5 | 153.4 | -44 | -120.2 | 173.7 | 0 | 0 | 0 | 106.8 | ||||
| 1028 | N | 27.5 | Very low | 32.2 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -71.7 | 156.3 | 179.1 | -72.7 | -17.1 | 0 | 0 | 0 | 113.3 | ||||
| 1029 | N | 30.1 | Very low | 32.6 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 164.9 | 150 | 137 | -84.1 | -10.7 | 0 | 0 | 0 | 109.4 | ||||
| 1030 | H | 31.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 73% | 0.731 | 74% | 0.744 | S | S | * | * | cis | -152.8 | 159.6 | 3.1 | -140.7 | -83.1 | 0 | 0 | 0 | 108.9 | ||||
| 1031 | L | 38 | Very low | 33.4 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | -88.9 | 135.5 | 154.1 | -123.2 | 73.7 | 0 | 0 | 0 | 107.4 | ||||
| 1032 | P | 34.2 | Very low | 33.7 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | -157.3 | 165.3 | 90 | 41.8 | -23.9 | 0 | 0 | 0 | 117.3 | |||||
| 1033 | I | 27.7 | Very low | 33 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 61.8 | 140 | 139.7 | -70.7 | 170.7 | 0 | 0 | 0 | 120 | ||||
| 1034 | P | 44.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -93.2 | 175.6 | -174.1 | 42.5 | -41 | 0 | 0 | 0 | 113 | ||||
| 1035 | P | 34.7 | Very low | 33.1 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | -153.5 | 167.9 | 89.3 | 42.1 | -24.9 | 0 | 0 | 0 | 116.9 | |||||
| 1036 | L | 27.9 | Very low | 33.2 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 57.3 | 157.7 | 150.9 | -67.6 | 160 | 0 | 0 | 0 | 119.7 | ||||
| 1037 | G | 26 | Very low | 32.9 | Very low | 55 Ų | 55 | 128.8 Ų | 128.8 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | cis | 164.8 | 133.7 | -3.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1038 | I | 29.7 | Very low | 32.7 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 80% | 0.795 | 75% | 0.745 | S | S | * | * | 75.6 | 133.3 | 70.2 | -68.3 | 161.5 | 0 | 0 | 0 | 112.4 | |||||
| 1039 | P | 46.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -127.1 | -132.4 | -27.1 | 38.7 | -16 | 0 | 0 | 0 | 109.9 | V1041 | P1039-V1041 HydrophobicContact CB-CG2 4.18Å; P1039-V1041 HydrophobicContact CG-CG2 4.13Å | ||
| 1040 | P | 45 | Very low | 32.8 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | cis | -99.9 | 158.2 | 15.6 | 4.4 | 20.8 | 0 | 0 | 0 | 113.9 | ||||
| 1041 | V | 31.7 | Very low | 32.7 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | cis | 77.5 | 124.7 | 45.8 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | P1039 | P1039-V1041 HydrophobicContact CB-CG2 4.18Å; P1039-V1041 HydrophobicContact CG-CG2 4.13Å | ||
| 1042 | S | 33.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | cis | -143.6 | 171.9 | 32.6 | -52.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1043 | T | 30.4 | Very low | 32.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -104.8 | 168.4 | 170.1 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1044 | P | 40.7 | Very low | 32.6 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | -136.2 | 166.9 | 102.5 | 23.4 | -1.9 | 0 | 0 | 0 | 112.5 | |||||
| 1045 | L | 27.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | 65.6 | 135.4 | 51.6 | -88 | 60.2 | 0 | 0 | 0 | 113.1 | |||||
| 1046 | F | 29.7 | Very low | 31.6 | Very low | 186 Ų | 186 | 123.6 Ų | 123.6 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | cis | -121.3 | -131.5 | 10.2 | -82.2 | -85.1 | 0 | 0 | 0 | 115.6 | ||||
| 1047 | S | 25.7 | Very low | 31.7 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | -167.9 | 172.1 | -126.9 | -59.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1048 | Q | 24.6 | Very low | 31.8 | Very low | 179 Ų | 179 | 123.2 Ų | 123.2 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 76.7 | 154.1 | 172.7 | -56.8 | -173.5 | 23.1 | 0 | 0 | 118.1 | ||||
| 1049 | T | 30.9 | Very low | 31.8 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | 54.8 | 159 | 170.5 | 55.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1050 | S | 28.6 | Very low | 31.4 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | cis | -163.5 | 159 | -31.5 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1051 | S | 30.8 | Very low | 30.8 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 69.4 | 155.8 | 163.8 | 81.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1052 | N | 30.6 | Very low | 30.9 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 69 | 144.2 | 162.8 | -76.2 | -5 | 0 | 0 | 0 | 120.8 | ||||
| 1053 | P | 34.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | trans | -146.1 | -155.3 | -135 | 38.3 | -13.6 | 0 | 0 | 0 | 113.1 | ||||
| 1054 | T | 32.4 | Very low | 30.9 | Very low | 125 Ų | 125 | 129 Ų | 129 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 65.2 | 151 | 148.2 | 49.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1055 | S | 28.9 | Very low | 30.7 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | cis | -175.4 | -177.6 | -15.4 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1056 | L | 28 | Very low | 31.3 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 46.7 | 125 | 143.1 | -69 | 162 | 0 | 0 | 0 | 118 | ||||
| 1057 | S | 31.4 | Very low | 31.6 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -171.9 | 163.9 | 36.1 | 44.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1058 | S | 26.8 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -62.4 | 136.9 | 167 | 48.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1059 | S | 30 | Very low | 32.2 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -169.2 | 157.6 | 140.6 | -86.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1060 | P | 38.6 | Very low | 32.2 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -102.8 | 178.9 | -171.5 | 40.2 | -35.9 | 0 | 0 | 0 | 115.4 | ||||
| 1061 | M | 32.9 | Very low | 32.3 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -47.9 | 141.9 | -174.9 | -58.6 | -173.2 | -63 | 0 | 0 | 116.7 | ||||
| 1062 | S | 32.3 | Very low | 32.3 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -134.1 | 164 | 155.1 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1063 | L | 31.6 | Very low | 32.2 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -153.5 | 128.5 | -165.6 | -171.1 | 173.6 | 0 | 0 | 0 | 108.4 | ||||
| 1064 | Q | 33 | Very low | 31.9 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -150.3 | 143.8 | -173.4 | -138 | 162.6 | 4.4 | 0 | 0 | 115.5 | ||||
| 1065 | Q | 35.4 | Very low | 31.9 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -150.4 | 177.2 | 166.3 | -127.5 | -179.5 | 25 | 0 | 0 | 108.7 | ||||
| 1066 | T | 41.9 | Very low | 32 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -131.5 | 147.9 | -143.6 | -63.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1067 | L | 35.5 | Very low | 32.1 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 78.1 | 156.6 | 174.9 | -60.9 | 142.7 | 0 | 0 | 0 | 118.9 | ||||
| 1068 | M | 30.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | cis | -170.6 | 142.3 | -39 | -179.3 | 166.9 | -82.8 | 0 | 0 | 111.4 | ||||
| 1069 | L | 32.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 22.1 | 125.2 | 161.1 | -66.2 | 163.4 | 0 | 0 | 0 | 122.9 | ||||
| 1070 | L | 30.1 | Very low | 32.5 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | -165.4 | -174 | 107.3 | -127.4 | 80.8 | 0 | 0 | 0 | 111.5 | |||||
| 1071 | A | 32 | Very low | 32 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -113.6 | 160 | -149.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1072 | S | 29.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 86.6 | 132.9 | 149.1 | -65.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1073 | A | 28.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 75.1 | 91.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1074 | A | 29.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | 50.2 | 109 | 134.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1075 | T | 31.3 | Very low | 31.6 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | -162.9 | 160.6 | 116.4 | 10.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1076 | A | 31.6 | Very low | 31.2 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -95.7 | 133.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1077 | S | 30.5 | Very low | 30.7 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | -175.6 | 126.8 | 124.5 | -77.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1078 | V | 35.4 | Very low | 30.5 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -43.6 | 139.6 | 164.4 | 168 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1079 | P | 33.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | -151.7 | 145.5 | 71.6 | 39.6 | -18.7 | 0 | 0 | 0 | 121.7 | |||||
| 1080 | L | 25.9 | Very low | 30.2 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 61.3 | 130 | 137.5 | -68 | 170.2 | 0 | 0 | 0 | 123.2 | ||||
| 1081 | K | 27.8 | Very low | 30.4 | Very low | 189 Ų | 189 | 122.3 Ų | 122.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 69.4 | 144.6 | 157 | -67.4 | -170.8 | 176 | -176.1 | 0 | 116.3 | ||||
| 1082 | T | 30.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | cis | -154.5 | 161.3 | -1.5 | 0.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1083 | S | 28.6 | Very low | 30.1 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | 25.5 | 147.5 | 134.6 | -56.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1084 | S | 30.1 | Very low | 30.3 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 42% | 0.42 | 75% | 0.747 | S | S | . | * | cis | 176.5 | 147.2 | -7.4 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 1085 | T | 33 | Very low | 30.3 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | 60.4 | 176.2 | 143.6 | 59.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1086 | L | 28.4 | Very low | 30.3 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | cis | -149.9 | 169.8 | 1.4 | -160 | 64.8 | 0 | 0 | 0 | 109.7 | ||||
| 1087 | A | 29.8 | Very low | 30 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | trans | 70.6 | 155.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1088 | N | 31.1 | Very low | 29.9 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | cis | -166.6 | 166.4 | -13.9 | -104 | 2.3 | 0 | 0 | 0 | 106.3 | ||||
| 1089 | S | 28.4 | Very low | 29.5 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | cis | -149.3 | 178.7 | -9.7 | -159.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1090 | E | 28.4 | Very low | 29.1 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -64.7 | 152.2 | 174.2 | -56.4 | 162.2 | 130 | 0 | 0 | 113.5 | ||||
| 1091 | H | 35.4 | Very low | 29.2 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | trans | -150.7 | 147.8 | 142.1 | -133.3 | -81.8 | 0 | 0 | 0 | 112 | ||||
| 1092 | I | 26.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 131 Ų | 131 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -110.2 | 137.5 | -172.9 | -63.3 | 161.8 | 0 | 0 | 0 | 109.6 | ||||
| 1093 | N | 28.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -174.3 | 133.7 | 137.8 | -107.5 | -10.7 | 0 | 0 | 0 | 117.3 | ||||
| 1094 | V | 31.1 | Very low | 28.9 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | trans | 75.5 | 126.2 | 133.9 | 171.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1095 | N | 30.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 71 | 151.9 | 162.6 | -67.5 | -7.6 | 0 | 0 | 0 | 119.3 | ||||
| 1096 | Q | 30.9 | Very low | 28.4 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | cis | 178.7 | 142.3 | -20 | -176.6 | 168.7 | 25.9 | 0 | 0 | 107.8 | ||||
| 1097 | W | 25 | Very low | 28.5 | Very low | 204 Ų | 204 | 133.8 Ų | 133.8 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | -160.5 | 157.1 | -18.6 | -105 | -10.7 | 0 | 0 | 0 | 110.5 | ||||
| 1098 | N | 28.5 | Very low | 28.7 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | trans | 42.4 | 153.8 | 141.7 | -55.9 | -5.9 | 0 | 0 | 0 | 125.8 | ||||
| 1099 | H | 27.6 | Very low | 28.5 | Very low | 188 Ų | 188 | 133 Ų | 133 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | trans | 82.5 | 166.3 | 146.4 | -91.9 | -66.7 | 0 | 0 | 0 | 121.2 | ||||
| 1100 | A | 24.7 | Very low | 28.8 | Very low | 83 Ų | 83 | 134 Ų | 134 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | trans | -112 | -165.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1101 | D | 28.4 | Very low | 28.7 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | 79.7 | 152.7 | 176.5 | -68.4 | -36.5 | 0 | 0 | 0 | 119 | ||||
| 1102 | S | 24.8 | Very low | 28.5 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -64.6 | 171.3 | 178.6 | 171.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1103 | S | 27.7 | Very low | 28.8 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 91.9 | 156.9 | 153.7 | -36 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1104 | T | 27.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | cis | -171 | 138.5 | -25.8 | -92.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1105 | A | 26.3 | Very low | 28.8 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 58.2 | 178.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1106 | T | 27.7 | Very low | 28.7 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | cis | -140.6 | 158 | 0.6 | -28 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1107 | I | 28.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | S | Bend | cis | -155.6 | 145.6 | 38.5 | -54 | 170.6 | 0 | 0 | 0 | 104.8 | ||
| 1108 | T | 35 | Very low | 29.1 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | cis | -145.9 | 154.5 | 32.4 | -20.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1109 | A | 26.4 | Very low | 29.2 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | trans | -95 | -161.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1110 | P | 34.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -114.5 | 148.1 | -23.4 | 8.3 | 17.1 | 0 | 0 | 0 | 111.4 | ||||
| 1111 | A | 26.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 121.9 Ų | 121.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | 97.1 | 109.7 | 65.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1112 | T | 32 | Very low | 30 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -142.3 | 103.4 | 167.4 | -48.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1113 | I | 31.8 | Very low | 30.3 | Very low | 138 Ų | 138 | 122 Ų | 122 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | 63.2 | 101.9 | 88 | -58.3 | 170.6 | 0 | 0 | 0 | 113.5 | |||||
| 1114 | N | 27.9 | Very low | 30.2 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 64.9 | 148.9 | 151.8 | -64 | -6.4 | 0 | 0 | 0 | 122.6 | ||||
| 1115 | T | 31.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 67.7 | 113.7 | 154.6 | 42.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1116 | N | 29.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 72.5 | 128.5 | 134.6 | -55.7 | -8.2 | 0 | 0 | 0 | 120.8 | ||||
| 1117 | T | 31.2 | Very low | 30.2 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 64.6 | 146.2 | 162.2 | 55.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1118 | T | 31.8 | Very low | 30 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | cis | -154.1 | 167.7 | 13.8 | -23 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1119 | T | 31.2 | Very low | 29.6 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | 63.2 | 151.8 | 158.6 | 51.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1120 | T | 31.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | cis | -171.7 | 144.1 | -11.4 | -96.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1121 | T | 31.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | cis | -152.9 | 147 | -31.4 | 39.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1122 | V | 34 | Very low | 29.6 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -142.8 | 138.9 | 164.8 | 178.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1123 | P | 31.2 | Very low | 29.5 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 87% | 0.87 | 68% | 0.684 | S | S | * | * | trans | -76.4 | 159.6 | -153.8 | 28.6 | -36.4 | 0 | 0 | 0 | 115.8 | ||||
| 1124 | L | 26.5 | Very low | 29.3 | Very low | 151 Ų | 151 | 120 Ų | 120 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | -132.9 | 138.8 | -165.2 | -173.3 | 71.1 | 0 | 0 | 0 | 111.6 | ||||
| 1125 | L | 27.1 | Very low | 29.3 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | trans | 43.6 | 122 | 155.1 | -67.4 | 171.4 | 0 | 0 | 0 | 122.2 | ||||
| 1126 | T | 26.5 | Very low | 29.6 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | 23.9 | 131.7 | 128.7 | 62.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1127 | N | 26.5 | Very low | 29.6 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | trans | 83.4 | 141 | 139.9 | -64.7 | 3 | 0 | 0 | 0 | 121.9 | ||||
| 1128 | S | 25.5 | Very low | 29.5 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | 69.3 | 102.6 | 150.9 | -65.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1129 | D | 26.5 | Very low | 29.5 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 45% | 0.449 | 67% | 0.673 | S | S | . | * | 61.1 | 100 | 118.7 | -65.6 | -50.1 | 0 | 0 | 0 | 122.2 | Q1497 Q1498 | D1129-Q1497 PolarHBondContact OD1-NE2 3.33Å; D1129-Q1498 PolarHBondContact OD2-NE2 3.47Å | |||
| 1130 | T | 31.2 | Very low | 29.5 | Very low | 56 Ų | 56 | 121.7 Ų | 121.7 | 34% | 0.344 | 67% | 0.668 | S | S | . | * | 75.9 | 155 | 121.5 | -14.7 | 0 | 0 | 0 | 0 | 124.9 | Q1497 | T1130-Q1497 HydrophobicContact CG2-CB 4.12Å; T1130-Q1497 VanDerWaalsContact CG2-CD 3.46Å; T1130-Q1497 HydrophobicContact CG2-CG 3.64Å; T1130-Q1497 WeakPolarHBondContact CG2-O 3.36Å; T1130-Q1497 VanDerWaalsContact CG2-OE1 3.3Å; T1130-Q1497 VanDerWaalsContact OG1-CG 3.27Å; T1130-Q1497 WeakPolarHBondContact OG1-CG 3.27Å; T1130-Q1497 PolarHBondContact OG1-NE2 2.91Å; T1130-Q1497 VanDerWaalsContact OG1-NE2 3.09Å | |||
| 1131 | V | 29.2 | Very low | 29.5 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | trans | 98.1 | 111.2 | 154.3 | 176.3 | 0 | 0 | 0 | 0 | 118.7 | Q1496 | V1131-Q1496 HydrophobicContact CG2-CG 4.35Š| ||
| 1132 | H | 27 | Very low | 29.5 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 38% | 0.384 | 66% | 0.664 | S | S | . | * | trans | 41.8 | 160.4 | 153.3 | -80 | -26.2 | 0 | 0 | 0 | 121.6 | H1495 Q1496 | H1132-H1495 VanDerWaalsContact CE1-CB 3.49Å; H1132-H1495 WeakPolarHBondContact CE1-CB 3.36Å; H1132-H1495 AromaticContact CE1-CD2 3.5Å; H1132-H1495 AromaticContact CE1-CG 3.45Å; H1132-H1495 VanDerWaalsContact CE1-CG 3.45Å; H1132-H1495 AromaticContact CE1-ND1 3.96Å; H1132-H1495 PolarHBondContact N-CE1 2.95Å; H1132-H1495 AromaticContact ND1-CD2 3.14Å; H1132-H1495 PolarHBondContact ND1-CD2 2.84Å; H1132-H1495 AromaticContact ND1-CE1 3.41Å; H1132-H1495 PolarHBondContact ND1-CE1 2.86Å; H1132-H1495 AromaticContact ND1-CG 3.3Å; H1132-H1495 VanDerWaalsContact ND1-CG 3.3Å; H1132-H1495 AromaticContact ND1-ND1 3.46Å; H1132-H1495 PolarHBondContact ND1-ND1 3.18Å; H1132-H1495 AromaticContact ND1-NE2 3.16Å; H1132-H1495 PolarHBondContact ND1-NE2 3.42Å; H1132-H1495 VanDerWaalsContact ND1-NE2 3.16Å; H1132-Q1496 VanDerWaalsContact CD2-CD 3.45Å; H1132-Q1496 PolarHBondContact CD2-NE2 3.45Å; H1132-Q1496 PolarHBondContact CD2-OE1 2.94Å; H1132-Q1496 PolarHBondContact CE1-NE2 2.84Å; H1132-Q1496 PolarHBondContact ND1-NE2 3.47Å; H1132-Q1496 PolarHBondContact NE2-NE2 3.43Å | ||
| 1133 | H | 29.3 | Very low | 29.4 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 62% | 0.616 | 66% | 0.656 | S | S | * | * | cis | -150.5 | -166.3 | 4.8 | -128.7 | -15.7 | 0 | 0 | 0 | 112 | ||||
| 1134 | H | 28.8 | Very low | 29.4 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -65.1 | 147.9 | -169.1 | -59.5 | -85.8 | 0 | 0 | 0 | 118.8 | ||||
| 1135 | N | 26.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 120.6 Ų | 120.6 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | 13.5 | 168.4 | 113.6 | -111.1 | 19.1 | 0 | 0 | 0 | 120.2 | |||||
| 1136 | P | 38.6 | Very low | 29.6 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | cis | -143.6 | -168.7 | 4.1 | 23.4 | 5.4 | 0 | 0 | 0 | 116.5 | ||||
| 1137 | Y | 29.5 | Very low | 29.7 | Very low | 196 Ų | 196 | 121.5 Ų | 121.5 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | 72.1 | 147.4 | 158.7 | -60 | -58.7 | 0 | 0 | 0 | 119.5 | ||||
| 1138 | E | 28.4 | Very low | 29.8 | Very low | 163 Ų | 163 | 119.4 Ų | 119.4 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | cis | -174.1 | 174.2 | -33.4 | -133 | 161.6 | -122.8 | 0 | 0 | 106.4 | ||||
| 1139 | T | 31.4 | Very low | 29.9 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | cis | -138.6 | -169.8 | 8.9 | 64.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1140 | T | 32.7 | Very low | 29.9 | Very low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | cis | -151.2 | -152.7 | -10.1 | -2.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1141 | D | 30.7 | Very low | 29.8 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | cis | -158.5 | -179.2 | 0.7 | -131.1 | -48.5 | 0 | 0 | 0 | 113.3 | ||||
| 1142 | D | 32.5 | Very low | 29.6 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | trans | 51 | 82.5 | 153.7 | -93.2 | -32.1 | 0 | 0 | 0 | 121.9 | ||||
| 1143 | N | 30.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | 77.3 | 110.4 | 114.9 | -79.8 | -38.1 | 0 | 0 | 0 | 124.6 | |||||
| 1144 | L | 31.8 | Very low | 29.5 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | 73.9 | 138.5 | 120.2 | -69.5 | 172.2 | 0 | 0 | 0 | 121.1 | |||||
| 1145 | S | 31.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | cis | -145.6 | 152.9 | -0.1 | -57.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1146 | D | 25.7 | Very low | 29.7 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | -105.6 | 143.9 | 157.8 | -174.5 | 9.7 | 0 | 0 | 0 | 109.8 | ||||
| 1147 | S | 28.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 164.6 | 125.4 | 156.6 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1148 | S | 28.8 | Very low | 30.1 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | -175 | 77.1 | 120.3 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | I1150 | S1148-I1150 PolarHBondContact O-N 3.22Š| |||
| 1149 | Y | 26.8 | Very low | 31.6 | Very low | 239 Ų | 239 | 129.5 Ų | 129.5 | 94% | 0.937 | 70% | 0.696 | S | S | * | * | trans | -75.9 | 58.1 | -177 | -133.8 | -85 | 0 | 0 | 0 | 113.5 | ||||
| 1150 | I | 26.9 | Very low | 33.2 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | trans | -135 | 99.9 | -178.8 | -50.4 | 179.4 | 0 | 0 | 0 | 112.4 | S1148 | S1148-I1150 PolarHBondContact O-N 3.22Š| ||
| 1151 | N | 28.6 | Very low | 35 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | trans | -161.3 | 29.7 | 154.3 | -114.6 | -52.4 | 0 | 0 | 0 | 116.5 | T1153 | N1151-T1153 PolarHBondContact O-N 2.9Š| ||
| 1152 | S | 25.6 | Very low | 37.3 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 85% | 0.853 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 28.3 | -173.8 | -54.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1153 | T | 27.9 | Very low | 39.3 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 82% | 0.816 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.9 | 31 | -177.5 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | N1151 | N1151-T1153 PolarHBondContact O-N 2.9Š|
| 1154 | M | 26.6 | Very low | 41.5 | Very low | 131 Ų | 131 | 113.2 Ų | 113.2 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | trans | -129.4 | -10.9 | 176.1 | -109.4 | -66.3 | 170.2 | 0 | 0 | 117.5 | S1156 | M1154-S1156 PolarHBondContact O-N 3.49Š| ||
| 1155 | F | 29.3 | Very low | 43.9 | Very low | 187 Ų | 187 | 107.4 Ų | 107.4 | 82% | 0.82 | 58% | 0.583 | S | S | * | * | trans | -86.4 | 90.7 | -178.9 | -75.8 | -81.7 | 0 | 0 | 0 | 113.4 | Q1158 | F1155-Q1158 HydrophobicContact CD1-CB 4.19Š| ||
| 1156 | S | 30.7 | Very low | 46.4 | Very low | 49 Ų | 49 | 108 Ų | 108 | 34% | 0.343 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -132.1 | -1.1 | 168.3 | 71.5 | 0 | 0 | 0 | 0 | 116.1 | M1154 Q1683 | M1154-S1156 PolarHBondContact O-N 3.49Å; S1156-Q1683 PolarHBondContact OG-NE2 3.42Å; S1156-Q1683 VanDerWaalsContact OG-NE2 3.16Å; S1156-Q1683 PolarHBondContact OG-OE1 2.99Å |
| 1157 | F | 34.3 | Very low | 48.7 | Very low | 141 Ų | 141 | 105.2 Ų | 105.2 | 62% | 0.618 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -108.4 | -21.5 | 173.8 | -78.8 | -42.8 | 0 | 0 | 0 | 115.5 | R1159 Q1683 | F1157-R1159 PolarHBondContact O-N 2.85Å; F1157-Q1683 HydrophobicContact CD2-CG 4.2Å; F1157-Q1683 HydrophobicContact CE1-CG 4.37Å; F1157-Q1683 HydrophobicContact CE2-CG 3.37Å; F1157-Q1683 VanDerWaalsContact CE2-NE2 3.29Å; F1157-Q1683 HydrophobicContact CZ-CG 3.48Å; F1157-Q1683 VanDerWaalsContact CZ-CG 3.48Å |
| 1158 | Q | 42.7 | Very low | 51 | Low | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | trans | -81.4 | 67 | 179.4 | -151.4 | 69.8 | 3 | 0 | 0 | 111.5 | F1155 V1160 | F1155-Q1158 HydrophobicContact CD1-CB 4.19Å; Q1158-V1160 VanDerWaalsContact C-N 3.32Å | ||
| 1159 | R | 58.7 | Low | 53.4 | Low | 100 Ų | 100 | 102.3 Ų | 102.3 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | trans | -85.4 | -0.8 | 174.6 | -72.1 | -169.3 | 177.9 | -149.3 | -4 | 114 | F1157 V1161 Y1202 Q1255 | F1157-R1159 PolarHBondContact O-N 2.85Å; R1159-V1161 PolarHBondContact O-N 3.41Å; R1159-Y1202 WeakPolarHBondContact O-CA 3.35Å; R1159-Y1202 WeakPolarHBondContact O-CD1 3.33Å; R1159-Q1255 VanDerWaalsContact NH1-NE2 3.16Å | ||
| 1160 | V | 65.5 | Low | 56.1 | Low | 30 Ų | 30 | 92.9 Ų | 92.9 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | trans | -80.3 | 120 | -175.2 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | Q1158 L1162 Y1202 I1203 | Q1158-V1160 VanDerWaalsContact C-N 3.32Å; V1160-L1162 VanDerWaalsContact C-N 3.32Å; V1160-L1162 HydrophobicContact CG1-CB 4.12Å; V1160-Y1202 CarbonylContact C-O 3.59Å; V1160-Y1202 WeakPolarHBondContact CA-O 3.38Å; V1160-I1203 WeakPolarHBondContact CG1-O 3.43Å | ||
| 1161 | V | 70.7 | Confident | 58.5 | Low | 43 Ų | 43 | 90.1 Ų | 90.1 | 26% | 0.261 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -71.6 | -27.4 | -179.4 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | R1159 Y1202 I1203 K1247 | R1159-V1161 PolarHBondContact O-N 3.41Å; V1161-Y1202 HydrophobicContact CG2-CD1 3.84Å; V1161-Y1202 HydrophobicContact CG2-CG 4.42Å; V1161-Y1202 PolarHBondContact N-O 2.91Å; V1161-I1203 HydrophobicContact CB-CD1 4.28Å; V1161-K1247 HydrophobicContact CG1-CB 3.88Å |
| 1162 | L | 79.5 | Confident | 61 | Low | 5 Ų | 5 | 91.3 Ų | 91.3 | 3% | 0.026 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -75 | 139.9 | 167.7 | -63.9 | -178.5 | 0 | 0 | 0 | 110.3 | V1160 I1203 R1234 L1237 H1244 | V1160-L1162 VanDerWaalsContact C-N 3.32Å; V1160-L1162 HydrophobicContact CG1-CB 4.12Å; L1162-I1203 HydrophobicContact CD1-CG2 3.7Å; L1162-I1203 HydrophobicContact CG-CD1 4.4Å; L1162-I1203 HydrophobicContact CG-CG2 4.23Å; L1162-R1234 HydrophobicContact CD1-CB 3.84Å; L1162-R1234 HydrophobicContact CD1-CG 4.26Å; L1162-R1234 VanDerWaalsContact CD1-O 3.25Å; L1162-R1234 WeakPolarHBondContact CD1-O 3.41Å; L1162-L1237 HydrophobicContact CD1-CB 4.34Å; L1162-H1244 WeakPolarHBondContact CD2-CE1 3.01Å; L1162-H1244 WeakPolarHBondContact CD2-ND1 3.27Å |
| 1163 | P | 72.9 | Confident | 63.6 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 167.2 | 171.8 | 26.2 | -34.4 | 0 | 0 | 0 | 112 | L1165 R1234 | P1163-L1165 PolarHBondContact O-N 3.49Å; P1163-R1234 PolarHBondContact O-NH1 2.83Å |
| 1164 | P | 77.8 | Confident | 65.9 | Low | 91 Ų | 91 | 84.2 Ų | 84.2 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 130.9 | 165.5 | -21.4 | 33.6 | 0 | 0 | 0 | 109.6 | K1166 | P1164-K1166 PolarHBondContact O-N 2.9Š|
| 1165 | L | 82.9 | Confident | 68.5 | Low | 31 Ų | 31 | 83.8 Ų | 83.8 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 127.9 | 175 | -79.3 | 173.4 | 0 | 0 | 0 | 109.1 | P1163 D1169 E1230 I1233 R1234 L1237 | P1163-L1165 PolarHBondContact O-N 3.49Å; L1165-D1169 HydrophobicContact CD2-CB 3.75Å; L1165-E1230 HydrophobicContact CD1-CG 3.51Å; L1165-I1233 HydrophobicContact CD1-CB 4.09Å; L1165-I1233 HydrophobicContact CD1-CG2 3.98Å; L1165-I1233 HydrophobicContact CD2-CG2 3.68Å; L1165-R1234 HydrophobicContact CD1-CG 3.8Å; L1165-R1234 HydrophobicContact CG-CG 4.16Å; L1165-L1237 HydrophobicContact CD2-CD1 3.42Å; L1165-L1237 VanDerWaalsContact CD2-CD1 3.42Å |
| 1166 | K | 82.6 | Confident | 71.4 | Confident | 119 Ų | 119 | 76 Ų | 76 | 52% | 0.517 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 163.4 | 171.2 | -63.3 | 175.7 | 177.8 | -174.7 | 0 | 109.8 | P1164 E1168 D1169 I1170 | P1164-K1166 PolarHBondContact O-N 2.9Å; K1166-E1168 VanDerWaalsContact C-N 3.25Å; K1166-E1168 HydrophobicContact CB-CG 3.69Å; K1166-E1168 HydrophobicContact CD-CG 3.7Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.31Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.48Å; K1166-E1168 HydrophobicContact CG-CG 4.44Å; K1166-E1168 IonicContact NZ-OE1 2.71Å; K1166-E1168 PolarHBondContact NZ-OE1 3.33Å; K1166-E1168 IonicContact NZ-OE2 2.74Å; K1166-E1168 PolarHBondContact O-N 2.9Å; K1166-D1169 PolarHBondContact N-OD2 3.07Å; K1166-D1169 VanDerWaalsContact N-OD2 3.15Å; K1166-D1169 PolarHBondContact O-N 3.34Å; K1166-D1169 VanDerWaalsContact O-N 3.16Å; K1166-I1170 PolarHBondContact O-N 3.16Å |
| 1167 | Q | 74.4 | Confident | 74.3 | Confident | 101 Ų | 101 | 77.1 Ų | 77.1 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 172.5 | -172 | 54.9 | 42.3 | 0 | 0 | 111.5 | D1169 I1170 D1171 | Q1167-D1169 VanDerWaalsContact C-N 3.28Å; Q1167-D1169 PolarHBondContact O-N 2.93Å; Q1167-I1170 PolarHBondContact O-N 3.4Å; Q1167-D1171 WeakPolarHBondContact CG-OD2 3.27Å; Q1167-D1171 PolarHBondContact NE2-OD1 3.02Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.43Å; Q1167-D1171 PolarHBondContact O-N 2.9Å |
| 1168 | E | 77.8 | Confident | 77.2 | Confident | 120 Ų | 120 | 70.9 Ų | 70.9 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -33.6 | 174.4 | 67.8 | -171.1 | -152.1 | 0 | 0 | 113.6 | K1166 K1172 | K1166-E1168 VanDerWaalsContact C-N 3.25Å; K1166-E1168 HydrophobicContact CB-CG 3.69Å; K1166-E1168 HydrophobicContact CD-CG 3.7Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.31Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.48Å; K1166-E1168 HydrophobicContact CG-CG 4.44Å; K1166-E1168 IonicContact NZ-OE1 2.71Å; K1166-E1168 PolarHBondContact NZ-OE1 3.33Å; K1166-E1168 IonicContact NZ-OE2 2.74Å; K1166-E1168 PolarHBondContact O-N 2.9Å; E1168-K1172 WeakPolarHBondContact O-CB 3.37Å; E1168-K1172 PolarHBondContact O-N 3.01Å |
| 1169 | D | 79.8 | Confident | 79.7 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 15% | 0.15 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 174 | -67.2 | -63.7 | 0 | 0 | 0 | 111.4 | L1165 K1166 Q1167 D1171 Y1173 I1233 | L1165-D1169 HydrophobicContact CD2-CB 3.75Å; K1166-D1169 PolarHBondContact N-OD2 3.07Å; K1166-D1169 VanDerWaalsContact N-OD2 3.15Å; K1166-D1169 PolarHBondContact O-N 3.34Å; K1166-D1169 VanDerWaalsContact O-N 3.16Å; Q1167-D1169 VanDerWaalsContact C-N 3.28Å; Q1167-D1169 PolarHBondContact O-N 2.93Å; D1169-D1171 VanDerWaalsContact C-N 3.33Å; D1169-D1171 PolarHBondContact O-N 3.43Å; D1169-Y1173 WeakPolarHBondContact O-CD2 3.1Å; D1169-Y1173 PolarHBondContact O-N 2.77Å; D1169-Y1173 VanDerWaalsContact O-N 3.16Å; D1169-I1233 HydrophobicContact CB-CG2 4.42Å |
| 1170 | I | 82.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.205 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | -178.1 | -61.9 | 171.5 | 0 | 0 | 0 | 110.6 | K1166 Q1167 Y1173 I1233 | K1166-I1170 PolarHBondContact O-N 3.16Å; Q1167-I1170 PolarHBondContact O-N 3.4Å; I1170-Y1173 CarbonylContact O-C 3.57Å; I1170-I1233 HydrophobicContact CB-CD1 4.45Å; I1170-I1233 HydrophobicContact CG1-CD1 4.21Å; I1170-I1233 HydrophobicContact CG2-CD1 4.37Å |
| 1171 | D | 78.6 | Confident | 82.8 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -82.3 | -35.1 | -178.2 | -59.8 | -30.3 | 0 | 0 | 0 | 112.2 | Q1167 D1169 Y1173 S1174 | Q1167-D1171 WeakPolarHBondContact CG-OD2 3.27Å; Q1167-D1171 PolarHBondContact NE2-OD1 3.02Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.43Å; Q1167-D1171 PolarHBondContact O-N 2.9Å; D1169-D1171 VanDerWaalsContact C-N 3.33Å; D1169-D1171 PolarHBondContact O-N 3.43Å; D1171-Y1173 VanDerWaalsContact C-N 3.27Å; D1171-Y1173 PolarHBondContact O-N 3.04Å; D1171-S1174 WeakPolarHBondContact O-CB 3.41Å; D1171-S1174 PolarHBondContact O-N 3.04Å; D1171-S1174 PolarHBondContact O-OG 3.05Å |
| 1172 | K | 80.3 | Confident | 84.1 | Confident | 147 Ų | 147 | 65.8 Ų | 65.8 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60 | -35.4 | 171.8 | 175.4 | 174.5 | 179.8 | 171.7 | 0 | 112.9 | E1168 | E1168-K1172 WeakPolarHBondContact O-CB 3.37Å; E1168-K1172 PolarHBondContact O-N 3.01Å |
| 1173 | Y | 80.2 | Confident | 84.9 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 11% | 0.106 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 43.2 | 176.6 | -58 | -63.7 | 0 | 0 | 0 | 111.5 | D1169 I1170 D1171 E1175 L1176 W1221 I1233 Q1236 L1237 N1240 | D1169-Y1173 WeakPolarHBondContact O-CD2 3.1Å; D1169-Y1173 PolarHBondContact O-N 2.77Å; D1169-Y1173 VanDerWaalsContact O-N 3.16Å; I1170-Y1173 CarbonylContact O-C 3.57Å; D1171-Y1173 VanDerWaalsContact C-N 3.27Å; D1171-Y1173 PolarHBondContact O-N 3.04Å; Y1173-E1175 VanDerWaalsContact C-N 3.27Å; Y1173-E1175 PolarHBondContact O-N 2.87Å; Y1173-L1176 HydrophobicContact CD1-CD2 4.03Å; Y1173-L1176 HydrophobicContact CG-CD2 4.42Å; Y1173-W1221 VanDerWaalsContact O-CH2 3.29Å; Y1173-W1221 WeakPolarHBondContact O-CH2 3.42Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.81Å; Y1173-Q1236 HydrophobicContact CD1-CG 4.14Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.91Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.77Å; Y1173-L1237 HydrophobicContact CE2-CG 4.24Å; Y1173-N1240 PolarHBondContact OH-ND2 3.2Å |
| 1174 | S | 75.8 | Confident | 86 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -62.9 | -23.2 | -175.8 | 41.6 | 0 | 0 | 0 | 0 | 115.1 | D1171 W1221 | D1171-S1174 WeakPolarHBondContact O-CB 3.41Å; D1171-S1174 PolarHBondContact O-N 3.04Å; D1171-S1174 PolarHBondContact O-OG 3.05Å; S1174-W1221 PolarHBondContact O-NE1 2.95Å |
| 1175 | E | 82.8 | Confident | 86.9 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -137.2 | 130.3 | 166.8 | -163.5 | 162.3 | -133.6 | 0 | 0 | 111.5 | Y1173 K1222 | Y1173-E1175 VanDerWaalsContact C-N 3.27Å; Y1173-E1175 PolarHBondContact O-N 2.87Å; E1175-K1222 WeakPolarHBondContact OE1-CE 3.43Å; E1175-K1222 IonicContact OE1-NZ 2.73Å; E1175-K1222 PolarHBondContact OE1-NZ 3.21Å |
| 1176 | L | 88.4 | Confident | 87.5 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | trans | -140.3 | 141.3 | -174.5 | -76.1 | -176.1 | 0 | 0 | 0 | 112.4 | Y1173 T1178 I1181 W1221 I1233 Q1236 | Y1173-L1176 HydrophobicContact CD1-CD2 4.03Å; Y1173-L1176 HydrophobicContact CG-CD2 4.42Å; L1176-T1178 PolarHBondContact O-N 3.05Å; L1176-I1181 HydrophobicContact CB-CD1 3.73Å; L1176-I1181 HydrophobicContact CD1-CD1 3.8Å; L1176-I1181 HydrophobicContact CD2-CD1 3.98Å; L1176-I1181 HydrophobicContact CG-CD1 4.06Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.83Å; L1176-W1221 HydrophobicContact CB-CH2 4.21Å; L1176-W1221 HydrophobicContact CB-CZ3 3.85Å; L1176-W1221 HydrophobicContact CD1-CH2 3.85Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.76Å; L1176-W1221 HydrophobicContact CG-CH2 4.09Å; L1176-W1221 HydrophobicContact CG-CZ3 4.13Å; L1176-W1221 WeakPolarHBondContact O-CB 3.44Å; L1176-I1233 HydrophobicContact CD1-CG1 4.3Å; L1176-Q1236 HydrophobicContact CD1-CB 4.33Å; L1176-Q1236 HydrophobicContact CD2-CG 4.38Å | ||
| 1177 | C | 92.6 | Very high | 88 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 48% | 0.48 | 34% | 0.336 | S | S | . | . | trans | -77.7 | 89.1 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | E1179 E1180 I1181 | C1177-E1179 VanDerWaalsContact C-N 3.3Å; C1177-E1179 PolarHBondContact O-N 3.18Å; C1177-E1180 HydrophobicContact CB-CB 3.98Å; C1177-E1180 PolarHBondContact O-N 3.46Å; C1177-E1180 VanDerWaalsContact O-N 3.17Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; C1177-I1181 VanDerWaalsContact O-CG1 3.27Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; C1177-I1181 PolarHBondContact O-N 3.29Å | ||
| 1178 | T | 95.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 65 Ų | 65 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.7 | -35.7 | -174.3 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | L1176 A1182 K1219 W1221 L1224 F1232 | L1176-T1178 PolarHBondContact O-N 3.05Å; T1178-A1182 WeakPolarHBondContact O-CB 3.31Å; T1178-A1182 PolarHBondContact O-N 3.24Å; T1178-K1219 WeakPolarHBondContact CB-O 3.48Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.49Å; T1178-K1219 PolarHBondContact OG1-O 3.16Å; T1178-W1221 HydrophobicContact CG2-CB 3.99Å; T1178-W1221 HydrophobicContact CG2-CE3 3.88Å; T1178-L1224 HydrophobicContact CG2-CD1 3.73Å; T1178-F1232 HydrophobicContact CG2-CD1 3.86Å; T1178-F1232 HydrophobicContact CG2-CD2 4.16Å; T1178-F1232 HydrophobicContact CG2-CE1 3.94Å; T1178-F1232 HydrophobicContact CG2-CE2 4.21Å; T1178-F1232 HydrophobicContact CG2-CG 3.99Å; T1178-F1232 HydrophobicContact CG2-CZ 4.11Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.43Å |
| 1179 | E | 94.8 | Very high | 89.6 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.2 | -45.7 | 177 | -171 | 66.2 | -114.7 | 0 | 0 | 111.5 | C1177 I1181 A1182 H1183 R1186 P1218 | C1177-E1179 VanDerWaalsContact C-N 3.3Å; C1177-E1179 PolarHBondContact O-N 3.18Å; E1179-I1181 PolarHBondContact O-N 3.18Å; E1179-A1182 PolarHBondContact O-N 3.41Å; E1179-H1183 WeakPolarHBondContact O-CB 3.42Å; E1179-H1183 PolarHBondContact O-N 3.49Å; E1179-R1186 IonicContact OE1-NH2 2.71Å; E1179-R1186 PolarHBondContact OE1-NH2 2.88Å; E1179-P1218 HydrophobicContact CB-CG 4.35Å; E1179-P1218 VanDerWaalsContact CD-CG 3.47Å; E1179-P1218 WeakPolarHBondContact OE1-CG 3.26Å; E1179-P1218 VanDerWaalsContact OE2-CG 3.22Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.27Å |
| 1180 | E | 94.9 | Very high | 90.1 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 179.5 | -175.2 | -179.2 | -165.9 | 0 | 0 | 111.8 | C1177 A1182 H1183 R1184 | C1177-E1180 HydrophobicContact CB-CB 3.98Å; C1177-E1180 PolarHBondContact O-N 3.46Å; C1177-E1180 VanDerWaalsContact O-N 3.17Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; E1180-A1182 VanDerWaalsContact C-N 3.32Å; E1180-A1182 PolarHBondContact O-N 3.1Å; E1180-H1183 PolarHBondContact O-N 3.33Å; E1180-H1183 VanDerWaalsContact O-N 3.14Å; E1180-R1184 HydrophobicContact CG-CG 4.2Å; E1180-R1184 WeakPolarHBondContact O-CB 3.33Å; E1180-R1184 WeakPolarHBondContact O-CG 3.33Å; E1180-R1184 PolarHBondContact O-N 3.18Å; E1180-R1184 IonicContact OE1-CZ 3.97Å; E1180-R1184 IonicContact OE1-NE 3.23Å; E1180-R1184 PolarHBondContact OE1-NE 3.36Å; E1180-R1184 IonicContact OE1-NH2 3.14Å; E1180-R1184 PolarHBondContact OE1-NH2 3.46Å; E1180-R1184 IonicContact OE2-NH2 2.94Å |
| 1181 | I | 95.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 179.4 | -59.6 | 171.1 | 0 | 0 | 0 | 110.2 | L1176 C1177 E1179 T1185 M1235 Q1236 L1239 | L1176-I1181 HydrophobicContact CB-CD1 3.73Å; L1176-I1181 HydrophobicContact CD1-CD1 3.8Å; L1176-I1181 HydrophobicContact CD2-CD1 3.98Å; L1176-I1181 HydrophobicContact CG-CD1 4.06Å; C1177-I1181 VanDerWaalsContact O-CG1 3.27Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; C1177-I1181 PolarHBondContact O-N 3.29Å; E1179-I1181 PolarHBondContact O-N 3.18Å; I1181-T1185 VanDerWaalsContact O-CB 3.26Å; I1181-T1185 WeakPolarHBondContact O-CB 3.5Å; I1181-T1185 PolarHBondContact O-N 3.21Å; I1181-T1185 PolarHBondContact O-OG1 2.71Å; I1181-M1235 HydrophobicContact CB-CE 4.33Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.69Å; I1181-M1235 HydrophobicContact CG2-CG 3.73Å; I1181-M1235 HydrophobicContact CG2-SD 4.41Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.24Å; I1181-L1239 HydrophobicContact CB-CD1 4.46Å; I1181-L1239 HydrophobicContact CG2-CD1 3.86Å |
| 1182 | A | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1178 E1179 E1180 R1186 L1215 P1218 M1235 | T1178-A1182 WeakPolarHBondContact O-CB 3.31Å; T1178-A1182 PolarHBondContact O-N 3.24Å; E1179-A1182 PolarHBondContact O-N 3.41Å; E1180-A1182 VanDerWaalsContact C-N 3.32Å; E1180-A1182 PolarHBondContact O-N 3.1Å; A1182-R1186 WeakPolarHBondContact O-CB 3.39Å; A1182-R1186 WeakPolarHBondContact O-CG 3.48Å; A1182-R1186 PolarHBondContact O-N 2.83Å; A1182-L1215 HydrophobicContact CB-CD2 4.06Å; A1182-P1218 HydrophobicContact CB-CB 4.04Å; A1182-P1218 HydrophobicContact CB-CG 3.94Å; A1182-M1235 HydrophobicContact CB-CE 4.3Å |
| 1183 | H | 96.3 | Very high | 91.2 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68 | -52 | 177.2 | -171 | -96.3 | 0 | 0 | 0 | 112.6 | E1179 E1180 T1185 R1186 S1187 | E1179-H1183 WeakPolarHBondContact O-CB 3.42Å; E1179-H1183 PolarHBondContact O-N 3.49Å; E1180-H1183 PolarHBondContact O-N 3.33Å; E1180-H1183 VanDerWaalsContact O-N 3.14Å; H1183-T1185 PolarHBondContact O-N 3.07Å; H1183-R1186 WeakPolarHBondContact O-CB 3.11Å; H1183-R1186 PolarHBondContact O-N 2.93Å; H1183-S1187 PolarHBondContact O-N 2.78Å |
| 1184 | R | 95.8 | Very high | 91.6 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.1 | -42.3 | 174.6 | -70.9 | 179.4 | -177.2 | -158.2 | 7.5 | 110.9 | E1180 S1187 I1188 L1239 | E1180-R1184 HydrophobicContact CG-CG 4.2Å; E1180-R1184 WeakPolarHBondContact O-CB 3.33Å; E1180-R1184 WeakPolarHBondContact O-CG 3.33Å; E1180-R1184 PolarHBondContact O-N 3.18Å; E1180-R1184 IonicContact OE1-CZ 3.97Å; E1180-R1184 IonicContact OE1-NE 3.23Å; E1180-R1184 PolarHBondContact OE1-NE 3.36Å; E1180-R1184 IonicContact OE1-NH2 3.14Å; E1180-R1184 PolarHBondContact OE1-NH2 3.46Å; E1180-R1184 IonicContact OE2-NH2 2.94Å; R1184-S1187 WeakPolarHBondContact O-CB 3.46Å; R1184-S1187 PolarHBondContact O-N 3.03Å; R1184-I1188 PolarHBondContact O-N 2.93Å; R1184-L1239 HydrophobicContact CB-CD1 3.65Å; R1184-L1239 HydrophobicContact CB-CD2 4.05Å; R1184-L1239 HydrophobicContact CG-CD1 4.49Å |
| 1185 | T | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.2 | -41.6 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | I1181 H1183 S1187 I1188 L1189 F1199 L1215 M1235 | I1181-T1185 VanDerWaalsContact O-CB 3.26Å; I1181-T1185 WeakPolarHBondContact O-CB 3.5Å; I1181-T1185 PolarHBondContact O-N 3.21Å; I1181-T1185 PolarHBondContact O-OG1 2.71Å; H1183-T1185 PolarHBondContact O-N 3.07Å; T1185-S1187 PolarHBondContact O-N 3.47Å; T1185-I1188 PolarHBondContact O-N 3.02Å; T1185-L1189 HydrophobicContact CG2-CD1 3.92Å; T1185-L1189 HydrophobicContact CG2-CG 4.16Å; T1185-L1189 WeakPolarHBondContact O-CB 3.14Å; T1185-L1189 VanDerWaalsContact O-CG 3.24Å; T1185-L1189 WeakPolarHBondContact O-CG 3.43Å; T1185-L1189 PolarHBondContact O-N 3.07Å; T1185-F1199 HydrophobicContact CG2-CE1 3.73Å; T1185-F1199 HydrophobicContact CG2-CE2 4.12Å; T1185-F1199 HydrophobicContact CG2-CZ 3.5Å; T1185-F1199 VanDerWaalsContact CG2-CZ 3.5Å; T1185-L1215 HydrophobicContact CG2-CD2 4.25Å; T1185-M1235 HydrophobicContact CG2-CG 3.84Å; T1185-M1235 HydrophobicContact CG2-SD 3.71Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.41Å; T1185-M1235 PolarHBondContact OG1-SD 3.31Å; T1185-M1235 VanDerWaalsContact OG1-SD 3.41Å |
| 1186 | R | 95.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 56 Ų | 56 | 32% | 0.317 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.3 | -40.3 | 170 | -83.8 | -175 | -102.3 | 131.8 | -6.2 | 111.4 | E1179 A1182 H1183 S1190 L1215 | E1179-R1186 IonicContact OE1-NH2 2.71Å; E1179-R1186 PolarHBondContact OE1-NH2 2.88Å; A1182-R1186 WeakPolarHBondContact O-CB 3.39Å; A1182-R1186 WeakPolarHBondContact O-CG 3.48Å; A1182-R1186 PolarHBondContact O-N 2.83Å; H1183-R1186 WeakPolarHBondContact O-CB 3.11Å; H1183-R1186 PolarHBondContact O-N 2.93Å; R1186-S1190 WeakPolarHBondContact O-CB 3.31Å; R1186-S1190 PolarHBondContact O-N 3.22Å; R1186-S1190 VanDerWaalsContact O-N 3.1Å; R1186-L1215 HydrophobicContact CG-CB 4.12Å; R1186-L1215 HydrophobicContact CG-CD1 4.31Å; R1186-L1215 HydrophobicContact CG-CD2 4.47Å; R1186-L1215 PolarHBondContact NE-O 3.27Å; R1186-L1215 PolarHBondContact NH2-O 2.94Å |
| 1187 | S | 93.7 | Very high | 93 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 47% | 0.469 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -56.9 | 177.2 | -165 | 0 | 0 | 0 | 0 | 111.9 | H1183 R1184 T1185 L1189 S1190 Q1191 | H1183-S1187 PolarHBondContact O-N 2.78Å; R1184-S1187 WeakPolarHBondContact O-CB 3.46Å; R1184-S1187 PolarHBondContact O-N 3.03Å; T1185-S1187 PolarHBondContact O-N 3.47Å; S1187-L1189 PolarHBondContact O-N 2.89Å; S1187-S1190 CarbonylContact O-C 3.6Å; S1187-S1190 WeakPolarHBondContact O-CA 3.5Å; S1187-S1190 PolarHBondContact O-N 3.27Å; S1187-Q1191 WeakPolarHBondContact O-CB 3.35Å; S1187-Q1191 PolarHBondContact O-N 3.28Å |
| 1188 | I | 92.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | -179.7 | -68.6 | -172.2 | 0 | 0 | 0 | 111.7 | R1184 T1185 S1190 Q1191 Y1192 F1238 L1239 I1245 | R1184-I1188 PolarHBondContact O-N 2.93Å; T1185-I1188 PolarHBondContact O-N 3.02Å; I1188-S1190 VanDerWaalsContact C-N 3.28Å; I1188-S1190 PolarHBondContact O-N 3.49Å; I1188-Q1191 PolarHBondContact O-N 3.05Å; I1188-Q1191 VanDerWaalsContact O-N 3.14Å; I1188-Y1192 HydrophobicContact CG2-CD2 3.87Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.4Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; I1188-F1238 HydrophobicContact CG2-CE1 3.96Å; I1188-F1238 HydrophobicContact CG2-CZ 4.12Å; I1188-L1239 HydrophobicContact CD1-CD2 3.66Å; I1188-L1239 HydrophobicContact CG1-CD2 4.44Å; I1188-I1245 HydrophobicContact CD1-CD1 4.33Å; I1188-I1245 HydrophobicContact CG2-CD1 3.71Å; I1188-I1245 HydrophobicContact CG2-CG1 4.14Å |
| 1189 | L | 93.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 176.6 | -67.7 | 178.4 | 0 | 0 | 0 | 112.2 | T1185 S1187 S1193 I1194 Q1196 F1199 L1215 | T1185-L1189 HydrophobicContact CG2-CD1 3.92Å; T1185-L1189 HydrophobicContact CG2-CG 4.16Å; T1185-L1189 WeakPolarHBondContact O-CB 3.14Å; T1185-L1189 VanDerWaalsContact O-CG 3.24Å; T1185-L1189 WeakPolarHBondContact O-CG 3.43Å; T1185-L1189 PolarHBondContact O-N 3.07Å; S1187-L1189 PolarHBondContact O-N 2.89Å; L1189-S1193 CarbonylContact O-C 3.57Å; L1189-S1193 PolarHBondContact O-N 3.32Å; L1189-I1194 HydrophobicContact CD2-CB 3.77Å; L1189-I1194 HydrophobicContact CD2-CG2 3.66Å; L1189-I1194 PolarHBondContact O-N 3.45Å; L1189-Q1196 HydrophobicContact CD1-CG 4.48Å; L1189-F1199 HydrophobicContact CD1-CB 4.11Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CD2 4.44Å; L1189-F1199 HydrophobicContact CD1-CE1 4.27Å; L1189-F1199 HydrophobicContact CD1-CG 3.85Å; L1189-F1199 HydrophobicContact CD2-CB 3.73Å; L1189-F1199 HydrophobicContact CD2-CD2 3.81Å; L1189-F1199 HydrophobicContact CD2-CG 3.77Å; L1189-F1199 HydrophobicContact CG-CG 4.4Å; L1189-L1215 HydrophobicContact CD1-CD1 4.12Å |
| 1190 | S | 89.8 | Confident | 92.9 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.1 | -34.7 | 173.9 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | R1186 S1187 I1188 K1444 | R1186-S1190 WeakPolarHBondContact O-CB 3.31Å; R1186-S1190 PolarHBondContact O-N 3.22Å; R1186-S1190 VanDerWaalsContact O-N 3.1Å; S1187-S1190 CarbonylContact O-C 3.6Å; S1187-S1190 WeakPolarHBondContact O-CA 3.5Å; S1187-S1190 PolarHBondContact O-N 3.27Å; I1188-S1190 VanDerWaalsContact C-N 3.28Å; I1188-S1190 PolarHBondContact O-N 3.49Å; S1190-K1444 PolarHBondContact OG-NZ 3.45Å |
| 1191 | Q | 88.9 | Confident | 92.7 | Very high | 108 Ų | 108 | 54.5 Ų | 54.5 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | -177.4 | -175.2 | -178.6 | 13.1 | 0 | 0 | 111.6 | S1187 I1188 S1380 | S1187-Q1191 WeakPolarHBondContact O-CB 3.35Å; S1187-Q1191 PolarHBondContact O-N 3.28Å; I1188-Q1191 PolarHBondContact O-N 3.05Å; I1188-Q1191 VanDerWaalsContact O-N 3.14Å; Q1191-S1380 PolarHBondContact O-OG 3.27Å |
| 1192 | Y | 87.6 | Confident | 92.4 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7 | 179.8 | -65.9 | -88.6 | 0 | 0 | 0 | 113.4 | I1188 I1194 I1245 L1249 | I1188-Y1192 HydrophobicContact CG2-CD2 3.87Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.4Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; Y1192-I1194 PolarHBondContact O-N 3.46Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.85Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.39Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.85Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.17Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.93Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.68Å; Y1192-L1249 HydrophobicContact CD1-CD1 4.24Å |
| 1193 | S | 88.6 | Confident | 92.1 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 24.8 | -176.5 | -52.9 | 0 | 0 | 0 | 0 | 114.7 | L1189 S1195 | L1189-S1193 CarbonylContact O-C 3.57Å; L1189-S1193 PolarHBondContact O-N 3.32Å; S1193-S1195 PolarHBondContact O-N 2.8Å |
| 1194 | I | 89.1 | Confident | 92 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | trans | -81.4 | 119.6 | -175.8 | -60.2 | 174.6 | 0 | 0 | 0 | 109.5 | L1189 Y1192 I1245 L1248 L1249 | L1189-I1194 HydrophobicContact CD2-CB 3.77Å; L1189-I1194 HydrophobicContact CD2-CG2 3.66Å; L1189-I1194 PolarHBondContact O-N 3.45Å; Y1192-I1194 PolarHBondContact O-N 3.46Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; I1194-L1248 HydrophobicContact CD1-CD2 4.16Å; I1194-L1248 HydrophobicContact CD1-CG 4.46Å; I1194-L1248 HydrophobicContact CG2-CD2 3.73Å; I1194-L1248 HydrophobicContact CG2-CG 4.16Å; I1194-L1249 HydrophobicContact CD1-CD2 4.26Å; I1194-L1249 HydrophobicContact CD1-CG 4.11Å; I1194-L1249 HydrophobicContact CG1-CD2 4.02Å; I1194-L1249 HydrophobicContact CG1-CG 4.42Å | ||
| 1195 | S | 91 | Very high | 91.8 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | trans | -68.5 | 142 | 179.8 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | S1193 R1197 L1198 F1199 | S1193-S1195 PolarHBondContact O-N 2.8Å; S1195-R1197 PolarHBondContact O-N 2.97Å; S1195-L1198 PolarHBondContact O-N 3.48Å; S1195-L1198 VanDerWaalsContact OG-CD1 3.29Å; S1195-L1198 WeakPolarHBondContact OG-CD1 3.33Å; S1195-L1198 WeakPolarHBondContact OG-CG 3.15Å; S1195-L1198 PolarHBondContact OG-N 3.03Å; S1195-F1199 PolarHBondContact O-N 2.89Å | ||
| 1196 | Q | 93.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.4 | -24.7 | 171.8 | -71.5 | 177.9 | -12.6 | 0 | 0 | 113.5 | L1189 G1200 Q1208 V1211 L1215 | L1189-Q1196 HydrophobicContact CD1-CG 4.48Å; Q1196-G1200 PolarHBondContact O-N 3.22Å; Q1196-Q1208 HydrophobicContact CB-CG 4.15Å; Q1196-V1211 HydrophobicContact CB-CG1 4Å; Q1196-V1211 HydrophobicContact CG-CG1 4.17Å; Q1196-L1215 HydrophobicContact CG-CD1 4.23Å |
| 1197 | R | 91.5 | Very high | 91.5 | Very high | 186 Ų | 186 | 49.1 Ų | 49.1 | 70% | 0.702 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.6 | -40.1 | 175.9 | -176.9 | 175.4 | 178.5 | 166.6 | -0.1 | 112.2 | S1195 A1201 Q1208 | S1195-R1197 PolarHBondContact O-N 2.97Å; R1197-A1201 WeakPolarHBondContact O-CB 3.47Å; R1197-A1201 PolarHBondContact O-N 3.17Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 3.98Å; R1197-Q1208 HydrophobicContact CG-CB 4.29Å |
| 1198 | L | 90.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.1 | -49.5 | 178.6 | -65.4 | 157.3 | 0 | 0 | 0 | 108.7 | S1195 G1200 A1201 Y1202 C1252 | S1195-L1198 PolarHBondContact O-N 3.48Å; S1195-L1198 VanDerWaalsContact OG-CD1 3.29Å; S1195-L1198 WeakPolarHBondContact OG-CD1 3.33Å; S1195-L1198 WeakPolarHBondContact OG-CG 3.15Å; S1195-L1198 PolarHBondContact OG-N 3.03Å; L1198-G1200 VanDerWaalsContact C-N 3.33Å; L1198-G1200 PolarHBondContact O-N 2.85Å; L1198-A1201 PolarHBondContact O-N 2.96Å; L1198-Y1202 HydrophobicContact CD2-CD2 4.42Å; L1198-Y1202 HydrophobicContact CD2-CE2 4.12Å; L1198-Y1202 WeakPolarHBondContact O-CB 3.29Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.48Å; L1198-Y1202 PolarHBondContact O-N 3.33Å; L1198-C1252 HydrophobicContact CD1-CB 4.24Å; L1198-C1252 VanDerWaalsContact CD1-SG 3.55Å; L1198-C1252 HydrophobicContact CD2-CB 4.48Å |
| 1199 | F | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.3 | -44.4 | 172.9 | -178.5 | -109.4 | 0 | 0 | 0 | 113.3 | T1185 L1189 S1195 I1203 L1204 V1211 M1235 F1238 L1248 | T1185-F1199 HydrophobicContact CG2-CE1 3.73Å; T1185-F1199 HydrophobicContact CG2-CE2 4.12Å; T1185-F1199 HydrophobicContact CG2-CZ 3.5Å; T1185-F1199 VanDerWaalsContact CG2-CZ 3.5Å; L1189-F1199 HydrophobicContact CD1-CB 4.11Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CD2 4.44Å; L1189-F1199 HydrophobicContact CD1-CE1 4.27Å; L1189-F1199 HydrophobicContact CD1-CG 3.85Å; L1189-F1199 HydrophobicContact CD2-CB 3.73Å; L1189-F1199 HydrophobicContact CD2-CD2 3.81Å; L1189-F1199 HydrophobicContact CD2-CG 3.77Å; L1189-F1199 HydrophobicContact CG-CG 4.4Å; S1195-F1199 PolarHBondContact O-N 2.89Å; F1199-I1203 HydrophobicContact CD2-CB 3.76Å; F1199-I1203 HydrophobicContact CD2-CG1 3.62Å; F1199-I1203 HydrophobicContact CD2-CG2 4.23Å; F1199-I1203 HydrophobicContact CE2-CB 3.69Å; F1199-I1203 HydrophobicContact CE2-CG1 3.83Å; F1199-I1203 HydrophobicContact CE2-CG2 3.61Å; F1199-I1203 HydrophobicContact CG-CB 4.49Å; F1199-I1203 HydrophobicContact CZ-CB 4.36Å; F1199-I1203 HydrophobicContact CZ-CG2 4.09Å; F1199-I1203 WeakPolarHBondContact O-CA 3.48Å; F1199-I1203 WeakPolarHBondContact O-CB 3.4Å; F1199-I1203 PolarHBondContact O-N 3.35Å; F1199-L1204 HydrophobicContact CD1-CD1 4.09Å; F1199-L1204 HydrophobicContact CD1-CG 4.33Å; F1199-L1204 HydrophobicContact CE1-CD1 3.45Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.45Å; F1199-L1204 HydrophobicContact CE1-CD2 4.42Å; F1199-L1204 HydrophobicContact CE1-CG 3.77Å; F1199-L1204 HydrophobicContact CZ-CD1 4.13Å; F1199-L1204 HydrophobicContact CZ-CD2 4.29Å; F1199-L1204 HydrophobicContact CZ-CG 4.05Å; F1199-L1204 PolarHBondContact O-N 3.04Å; F1199-V1211 HydrophobicContact CD1-CG1 4.01Å; F1199-M1235 HydrophobicContact CE1-SD 4.36Å; F1199-M1235 HydrophobicContact CZ-CG 4.09Å; F1199-M1235 HydrophobicContact CZ-SD 4.35Å; F1199-F1238 HydrophobicContact CD2-CE1 4.36Å; F1199-F1238 HydrophobicContact CD2-CE2 4.34Å; F1199-F1238 HydrophobicContact CD2-CZ 4.25Å; F1199-F1238 HydrophobicContact CE2-CB 4.45Å; F1199-F1238 AromaticContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD2 4.04Å; F1199-F1238 AromaticContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE2 4.19Å; F1199-F1238 AromaticContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CZ 4.08Å; F1199-F1238 HydrophobicContact CZ-CD1 4.32Å; F1199-L1248 HydrophobicContact CD2-CD2 4.1Å |
| 1200 | G | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -61.8 | -48.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1196 L1198 G1205 L1206 | Q1196-G1200 PolarHBondContact O-N 3.22Å; L1198-G1200 VanDerWaalsContact C-N 3.33Å; L1198-G1200 PolarHBondContact O-N 2.85Å; G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.31Å; G1200-G1205 PolarHBondContact O-N 2.78Å; G1200-L1206 CarbonylContact C-O 3.55Å; G1200-L1206 WeakPolarHBondContact CA-O 3.4Å; G1200-L1206 PolarHBondContact O-N 2.89Å |
| 1201 | A | 90.2 | Very high | 91.8 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -68.9 | -34.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1197 L1198 | R1197-A1201 WeakPolarHBondContact O-CB 3.47Å; R1197-A1201 PolarHBondContact O-N 3.17Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; L1198-A1201 PolarHBondContact O-N 2.96Å |
| 1202 | Y | 89.7 | Confident | 92.2 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 9% | 0.09 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -108.2 | -17.6 | -169.1 | -75.7 | -83.2 | 0 | 0 | 0 | 115.2 | R1159 V1160 V1161 L1198 L1248 S1251 Q1255 | R1159-Y1202 WeakPolarHBondContact O-CA 3.35Å; R1159-Y1202 WeakPolarHBondContact O-CD1 3.33Å; V1160-Y1202 CarbonylContact C-O 3.59Å; V1160-Y1202 WeakPolarHBondContact CA-O 3.38Å; V1161-Y1202 HydrophobicContact CG2-CD1 3.84Å; V1161-Y1202 HydrophobicContact CG2-CG 4.42Å; V1161-Y1202 PolarHBondContact N-O 2.91Å; L1198-Y1202 HydrophobicContact CD2-CD2 4.42Å; L1198-Y1202 HydrophobicContact CD2-CE2 4.12Å; L1198-Y1202 WeakPolarHBondContact O-CB 3.29Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.48Å; L1198-Y1202 PolarHBondContact O-N 3.33Å; Y1202-L1248 VanDerWaalsContact CB-CD1 3.46Å; Y1202-L1248 HydrophobicContact CD2-CD1 4.37Å; Y1202-L1248 HydrophobicContact CG-CD1 4.11Å; Y1202-S1251 PolarHBondContact OH-O 2.88Å; Y1202-Q1255 PolarHBondContact OH-NE2 3.25Å |
| 1203 | I | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -116.4 | -43.1 | 178.3 | -57.1 | -61.5 | 0 | 0 | 0 | 111.8 | V1160 V1161 L1162 F1199 F1238 L1248 | V1160-I1203 WeakPolarHBondContact CG1-O 3.43Å; V1161-I1203 HydrophobicContact CB-CD1 4.28Å; L1162-I1203 HydrophobicContact CD1-CG2 3.7Å; L1162-I1203 HydrophobicContact CG-CD1 4.4Å; L1162-I1203 HydrophobicContact CG-CG2 4.23Å; F1199-I1203 HydrophobicContact CD2-CB 3.76Å; F1199-I1203 HydrophobicContact CD2-CG1 3.62Å; F1199-I1203 HydrophobicContact CD2-CG2 4.23Å; F1199-I1203 HydrophobicContact CE2-CB 3.69Å; F1199-I1203 HydrophobicContact CE2-CG1 3.83Å; F1199-I1203 HydrophobicContact CE2-CG2 3.61Å; F1199-I1203 HydrophobicContact CG-CB 4.49Å; F1199-I1203 HydrophobicContact CZ-CB 4.36Å; F1199-I1203 HydrophobicContact CZ-CG2 4.09Å; F1199-I1203 WeakPolarHBondContact O-CA 3.48Å; F1199-I1203 WeakPolarHBondContact O-CB 3.4Å; F1199-I1203 PolarHBondContact O-N 3.35Å; I1203-F1238 HydrophobicContact CD1-CD2 3.81Å; I1203-F1238 HydrophobicContact CD1-CE2 4.31Å; I1203-F1238 HydrophobicContact CG1-CD2 3.89Å; I1203-F1238 HydrophobicContact CG1-CE2 4.24Å; I1203-F1238 HydrophobicContact CG2-CB 3.88Å; I1203-F1238 HydrophobicContact CG2-CD2 4.21Å; I1203-F1238 HydrophobicContact CG2-CG 4.21Å; I1203-L1248 HydrophobicContact CD1-CD2 4.36Å; I1203-L1248 HydrophobicContact CG1-CD1 4.37Å; I1203-L1248 HydrophobicContact CG1-CD2 3.87Å |
| 1204 | L | 93.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -101.4 | -15.6 | -172.4 | -60.2 | -173.5 | 0 | 0 | 0 | 115.2 | F1199 L1206 V1211 L1214 P1231 R1234 M1235 | F1199-L1204 HydrophobicContact CD1-CD1 4.09Å; F1199-L1204 HydrophobicContact CD1-CG 4.33Å; F1199-L1204 HydrophobicContact CE1-CD1 3.45Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.45Å; F1199-L1204 HydrophobicContact CE1-CD2 4.42Å; F1199-L1204 HydrophobicContact CE1-CG 3.77Å; F1199-L1204 HydrophobicContact CZ-CD1 4.13Å; F1199-L1204 HydrophobicContact CZ-CD2 4.29Å; F1199-L1204 HydrophobicContact CZ-CG 4.05Å; F1199-L1204 PolarHBondContact O-N 3.04Å; L1204-L1206 HydrophobicContact CB-CB 4.11Å; L1204-L1206 HydrophobicContact CB-CD1 4.09Å; L1204-L1206 HydrophobicContact CB-CG 3.97Å; L1204-L1206 HydrophobicContact CD1-CD1 4.27Å; L1204-L1206 PolarHBondContact O-N 3.13Å; L1204-V1211 HydrophobicContact CD1-CG2 4.05Å; L1204-L1214 HydrophobicContact CD1-CD2 3.91Å; L1204-P1231 HydrophobicContact CD2-CB 4.45Å; L1204-P1231 VanDerWaalsContact CD2-O 3.28Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.05Å; L1204-R1234 HydrophobicContact CD2-CB 3.67Å; L1204-M1235 HydrophobicContact CD2-CB 4.33Å |
| 1205 | G | 92 | Very high | 93.2 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 56% | 0.557 | 25% | 0.254 | S | S | * | . | trans | 66.8 | 19.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1200 | G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.31Å; G1200-G1205 PolarHBondContact O-N 2.78Å | ||
| 1206 | L | 93.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 44 Ų | 44 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | trans | -110.3 | 154.5 | -171.8 | -69.2 | -176.6 | 0 | 0 | 0 | 112.9 | G1200 L1204 V1211 L1214 P1231 | G1200-L1206 CarbonylContact C-O 3.55Å; G1200-L1206 WeakPolarHBondContact CA-O 3.4Å; G1200-L1206 PolarHBondContact O-N 2.89Å; L1204-L1206 HydrophobicContact CB-CB 4.11Å; L1204-L1206 HydrophobicContact CB-CD1 4.09Å; L1204-L1206 HydrophobicContact CB-CG 3.97Å; L1204-L1206 HydrophobicContact CD1-CD1 4.27Å; L1204-L1206 PolarHBondContact O-N 3.13Å; L1206-V1211 HydrophobicContact CB-CG2 3.72Å; L1206-V1211 HydrophobicContact CD1-CG2 4.44Å; L1206-L1214 HydrophobicContact CD1-CD2 4.14Å; L1206-P1231 HydrophobicContact CD1-CB 4.1Å; L1206-P1231 HydrophobicContact CD1-CG 4.14Å | ||
| 1207 | S | 92.7 | Very high | 93.4 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | trans | -68.3 | 152.2 | 171.7 | 88.5 | 0 | 0 | 0 | 0 | 111.3 | G1209 S1210 V1211 | S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 2.89Å; S1207-S1210 WeakPolarHBondContact O-CA 3.4Å; S1207-S1210 WeakPolarHBondContact O-CB 3.48Å; S1207-S1210 PolarHBondContact O-N 3.32Å; S1207-S1210 PolarHBondContact OG-N 3.32Å; S1207-S1210 VanDerWaalsContact OG-N 3.16Å; S1207-S1210 PolarHBondContact OG-OG 3.35Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.24Å; S1207-V1211 PolarHBondContact O-N 3.36Å | ||
| 1208 | Q | 91.4 | Very high | 93.4 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.6 | -38.3 | 178.6 | -179.7 | -85.4 | -41 | 0 | 0 | 112.6 | Q1196 R1197 V1211 S1212 | Q1196-Q1208 HydrophobicContact CB-CG 4.15Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 3.98Å; R1197-Q1208 HydrophobicContact CG-CB 4.29Å; Q1208-V1211 PolarHBondContact O-N 2.94Å; Q1208-S1212 WeakPolarHBondContact O-CB 3.34Å; Q1208-S1212 PolarHBondContact O-N 3.08Å |
| 1209 | G | 92.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1207 V1211 S1212 D1213 | S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 2.89Å; G1209-V1211 VanDerWaalsContact C-N 3.3Å; G1209-V1211 PolarHBondContact O-N 2.91Å; G1209-S1212 WeakPolarHBondContact O-CB 3.01Å; G1209-S1212 PolarHBondContact O-N 3.32Å; G1209-S1212 VanDerWaalsContact O-N 3.08Å; G1209-D1213 PolarHBondContact O-N 3.41Å |
| 1210 | S | 94.6 | Very high | 93.4 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 176 | -50.1 | 0 | 0 | 0 | 0 | 112.7 | S1207 L1214 | S1207-S1210 WeakPolarHBondContact O-CA 3.4Å; S1207-S1210 WeakPolarHBondContact O-CB 3.48Å; S1207-S1210 PolarHBondContact O-N 3.32Å; S1207-S1210 PolarHBondContact OG-N 3.32Å; S1207-S1210 VanDerWaalsContact OG-N 3.16Å; S1207-S1210 PolarHBondContact OG-OG 3.35Å; S1210-L1214 WeakPolarHBondContact O-CB 3.38Å; S1210-L1214 PolarHBondContact O-N 3.16Å |
| 1211 | V | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -39.9 | 174 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | Q1196 F1199 L1204 L1206 S1207 Q1208 G1209 L1214 L1215 | Q1196-V1211 HydrophobicContact CB-CG1 4Å; Q1196-V1211 HydrophobicContact CG-CG1 4.17Å; F1199-V1211 HydrophobicContact CD1-CG1 4.01Å; L1204-V1211 HydrophobicContact CD1-CG2 4.05Å; L1206-V1211 HydrophobicContact CB-CG2 3.72Å; L1206-V1211 HydrophobicContact CD1-CG2 4.44Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.24Å; S1207-V1211 PolarHBondContact O-N 3.36Å; Q1208-V1211 PolarHBondContact O-N 2.94Å; G1209-V1211 VanDerWaalsContact C-N 3.3Å; G1209-V1211 PolarHBondContact O-N 2.91Å; V1211-L1214 PolarHBondContact O-N 3.15Å; V1211-L1215 HydrophobicContact CG1-CD1 3.73Å; V1211-L1215 HydrophobicContact CG1-CG 4.22Å; V1211-L1215 WeakPolarHBondContact O-CB 3.45Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.34Å; V1211-L1215 PolarHBondContact O-N 3.27Å |
| 1212 | S | 96.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | Q1208 G1209 A1216 | Q1208-S1212 WeakPolarHBondContact O-CB 3.34Å; Q1208-S1212 PolarHBondContact O-N 3.08Å; G1209-S1212 WeakPolarHBondContact O-CB 3.01Å; G1209-S1212 PolarHBondContact O-N 3.32Å; G1209-S1212 VanDerWaalsContact O-N 3.08Å; S1212-A1216 WeakPolarHBondContact O-CB 3.45Å; S1212-A1216 PolarHBondContact O-N 3.12Å |
| 1213 | D | 95.1 | Very high | 93.5 | Very high | 88 Ų | 88 | 62.1 Ų | 62.1 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 176.1 | -78.2 | -47.5 | 0 | 0 | 0 | 111.8 | G1209 L1215 A1216 R1217 | G1209-D1213 PolarHBondContact O-N 3.41Å; D1213-L1215 PolarHBondContact O-N 2.99Å; D1213-A1216 PolarHBondContact O-N 2.7Å; D1213-R1217 PolarHBondContact O-N 2.82Å; D1213-R1217 IonicContact OD1-NH2 3.45Å; D1213-R1217 PolarHBondContact OD1-NH2 2.96Å |
| 1214 | L | 96 | Very high | 93.5 | Very high | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 176.8 | -177 | 74 | 0 | 0 | 0 | 112.3 | L1204 L1206 S1210 V1211 P1218 P1231 F1232 | L1204-L1214 HydrophobicContact CD1-CD2 3.91Å; L1206-L1214 HydrophobicContact CD1-CD2 4.14Å; S1210-L1214 WeakPolarHBondContact O-CB 3.38Å; S1210-L1214 PolarHBondContact O-N 3.16Å; V1211-L1214 PolarHBondContact O-N 3.15Å; L1214-P1218 WeakPolarHBondContact O-CA 3.39Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; L1214-F1232 HydrophobicContact CD1-CD2 4.33Å; L1214-F1232 HydrophobicContact CD1-CE1 4.42Å; L1214-F1232 HydrophobicContact CD1-CE2 3.48Å; L1214-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1214-F1232 HydrophobicContact CD1-CZ 3.53Å; L1214-F1232 HydrophobicContact CG-CE2 4.49Å; L1214-F1232 HydrophobicContact CG-CZ 4.2Å |
| 1215 | L | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -77.7 | -30.8 | -179.4 | -70.5 | 176.7 | 0 | 0 | 0 | 112.8 | A1182 T1185 R1186 L1189 Q1196 V1211 D1213 M1235 | A1182-L1215 HydrophobicContact CB-CD2 4.06Å; T1185-L1215 HydrophobicContact CG2-CD2 4.25Å; R1186-L1215 HydrophobicContact CG-CB 4.12Å; R1186-L1215 HydrophobicContact CG-CD1 4.31Å; R1186-L1215 HydrophobicContact CG-CD2 4.47Å; R1186-L1215 PolarHBondContact NE-O 3.27Å; R1186-L1215 PolarHBondContact NH2-O 2.94Å; L1189-L1215 HydrophobicContact CD1-CD1 4.12Å; Q1196-L1215 HydrophobicContact CG-CD1 4.23Å; V1211-L1215 HydrophobicContact CG1-CD1 3.73Å; V1211-L1215 HydrophobicContact CG1-CG 4.22Å; V1211-L1215 WeakPolarHBondContact O-CB 3.45Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.34Å; V1211-L1215 PolarHBondContact O-N 3.27Å; D1213-L1215 PolarHBondContact O-N 2.99Å; L1215-M1235 HydrophobicContact CD2-CE 4.27Å; L1215-M1235 HydrophobicContact CD2-SD 3.64Å |
| 1216 | A | 94.3 | Very high | 93 | Very high | 63 Ų | 63 | 71.2 Ų | 71.2 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -86.4 | -25.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1212 D1213 | S1212-A1216 WeakPolarHBondContact O-CB 3.45Å; S1212-A1216 PolarHBondContact O-N 3.12Å; D1213-A1216 PolarHBondContact O-N 2.7Å |
| 1217 | R | 93.4 | Very high | 92.7 | Very high | 189 Ų | 189 | 76.8 Ų | 76.8 | 71% | 0.713 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -141.4 | 62.5 | -179.1 | -69.3 | -178.3 | -87 | -158.2 | -3.9 | 110.9 | D1213 K1219 | D1213-R1217 PolarHBondContact O-N 2.82Å; D1213-R1217 IonicContact OD1-NH2 3.45Å; D1213-R1217 PolarHBondContact OD1-NH2 2.96Å; R1217-K1219 PolarHBondContact O-N 3.14Å |
| 1218 | P | 92.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 74.6 Ų | 74.6 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 127.5 | 179.2 | 29.1 | -34.5 | 0 | 0 | 0 | 110 | E1179 A1182 L1214 F1232 | E1179-P1218 HydrophobicContact CB-CG 4.35Å; E1179-P1218 VanDerWaalsContact CD-CG 3.47Å; E1179-P1218 WeakPolarHBondContact OE1-CG 3.26Å; E1179-P1218 VanDerWaalsContact OE2-CG 3.22Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.27Å; A1182-P1218 HydrophobicContact CB-CB 4.04Å; A1182-P1218 HydrophobicContact CB-CG 3.94Å; L1214-P1218 WeakPolarHBondContact O-CA 3.39Å; P1218-F1232 HydrophobicContact CB-CE1 3.8Å; P1218-F1232 HydrophobicContact CB-CZ 3.73Å |
| 1219 | K | 93.3 | Very high | 92.7 | Very high | 137 Ų | 137 | 73.6 Ų | 73.6 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 141.3 | 175.6 | -67.3 | -174.8 | 175 | -171.7 | 0 | 110 | T1178 R1217 L1224 | T1178-K1219 WeakPolarHBondContact CB-O 3.48Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.49Å; T1178-K1219 PolarHBondContact OG1-O 3.16Å; R1217-K1219 PolarHBondContact O-N 3.14Å; K1219-L1224 HydrophobicContact CB-CD2 3.84Å; K1219-L1224 HydrophobicContact CB-CG 4.39Å; K1219-L1224 HydrophobicContact CD-CD2 4.46Å |
| 1220 | P | 91.7 | Very high | 92.7 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 140 | 172.4 | -27.2 | 34.8 | 0 | 0 | 0 | 112.2 | K1222 L1223 L1224 | P1220-K1222 VanDerWaalsContact C-N 3.27Å; P1220-K1222 PolarHBondContact O-N 3.47Å; P1220-K1222 VanDerWaalsContact O-N 3.14Å; P1220-L1223 HydrophobicContact CG-CD1 4.4Å; P1220-L1223 WeakPolarHBondContact O-CA 3.45Å; P1220-L1223 WeakPolarHBondContact O-CB 3.4Å; P1220-L1223 PolarHBondContact O-N 2.9Å; P1220-L1224 PolarHBondContact O-N 2.86Å |
| 1221 | W | 93.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 73.4 Ų | 73.4 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -51.4 | -40.4 | -174.7 | -176 | -102.7 | 0 | 0 | 0 | 114.9 | Y1173 S1174 L1176 T1178 L1223 L1224 R1229 F1232 I1233 | Y1173-W1221 VanDerWaalsContact O-CH2 3.29Å; Y1173-W1221 WeakPolarHBondContact O-CH2 3.42Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; S1174-W1221 PolarHBondContact O-NE1 2.95Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.83Å; L1176-W1221 HydrophobicContact CB-CH2 4.21Å; L1176-W1221 HydrophobicContact CB-CZ3 3.85Å; L1176-W1221 HydrophobicContact CD1-CH2 3.85Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.76Å; L1176-W1221 HydrophobicContact CG-CH2 4.09Å; L1176-W1221 HydrophobicContact CG-CZ3 4.13Å; L1176-W1221 WeakPolarHBondContact O-CB 3.44Å; T1178-W1221 HydrophobicContact CG2-CB 3.99Å; T1178-W1221 HydrophobicContact CG2-CE3 3.88Å; W1221-L1223 PolarHBondContact O-N 2.96Å; W1221-L1224 HydrophobicContact CE3-CD1 4.03Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 2.99Å; W1221-R1229 HydrophobicContact CD2-CG 4.11Å; W1221-R1229 HydrophobicContact CE3-CB 4.32Å; W1221-R1229 HydrophobicContact CE3-CG 3.92Å; W1221-R1229 HydrophobicContact CH2-CB 3.58Å; W1221-R1229 HydrophobicContact CH2-CG 3.74Å; W1221-R1229 HydrophobicContact CZ2-CB 4.16Å; W1221-R1229 HydrophobicContact CZ2-CG 3.89Å; W1221-R1229 HydrophobicContact CZ3-CB 3.64Å; W1221-R1229 HydrophobicContact CZ3-CG 3.72Å; W1221-F1232 HydrophobicContact CZ3-CB 4.1Å; W1221-I1233 HydrophobicContact CH2-CD1 4.09Å; W1221-I1233 HydrophobicContact CH2-CG1 3.84Å; W1221-I1233 HydrophobicContact CZ3-CG1 4.37Å |
| 1222 | K | 90.2 | Very high | 92.7 | Very high | 158 Ų | 158 | 73.4 Ų | 73.4 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -64.3 | -19.6 | 178.7 | -57.2 | -170.6 | -179.8 | -167.9 | 0 | 113.2 | E1175 P1220 | E1175-K1222 WeakPolarHBondContact OE1-CE 3.43Å; E1175-K1222 IonicContact OE1-NZ 2.73Å; E1175-K1222 PolarHBondContact OE1-NZ 3.21Å; P1220-K1222 VanDerWaalsContact C-N 3.27Å; P1220-K1222 PolarHBondContact O-N 3.47Å; P1220-K1222 VanDerWaalsContact O-N 3.14Å |
| 1223 | L | 92.1 | Very high | 92.5 | Very high | 131 Ų | 131 | 71.4 Ų | 71.4 | 69% | 0.686 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -101.4 | 7.4 | 176.2 | -57.5 | 178 | 0 | 0 | 0 | 113 | P1220 W1221 | P1220-L1223 HydrophobicContact CG-CD1 4.4Å; P1220-L1223 WeakPolarHBondContact O-CA 3.45Å; P1220-L1223 WeakPolarHBondContact O-CB 3.4Å; P1220-L1223 PolarHBondContact O-N 2.9Å; W1221-L1223 PolarHBondContact O-N 2.96Å |
| 1224 | L | 91.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | trans | -96 | 123.6 | 172.3 | -66.3 | 175.9 | 0 | 0 | 0 | 110.8 | T1178 K1219 P1220 W1221 R1229 F1232 | T1178-L1224 HydrophobicContact CG2-CD1 3.73Å; K1219-L1224 HydrophobicContact CB-CD2 3.84Å; K1219-L1224 HydrophobicContact CB-CG 4.39Å; K1219-L1224 HydrophobicContact CD-CD2 4.46Å; P1220-L1224 PolarHBondContact O-N 2.86Å; W1221-L1224 HydrophobicContact CE3-CD1 4.03Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 2.99Å; L1224-R1229 HydrophobicContact CB-CG 3.66Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.14Å; L1224-F1232 HydrophobicContact CD1-CD2 3.46Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.46Å; L1224-F1232 HydrophobicContact CD1-CE2 3.48Å; L1224-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1224-F1232 HydrophobicContact CD1-CG 4.41Å; L1224-F1232 HydrophobicContact CD1-CZ 4.46Å; L1224-F1232 HydrophobicContact CD2-CE2 4.24Å | ||
| 1225 | T | 90.9 | Very high | 92.4 | Very high | 105 Ų | 105 | 67.1 Ų | 67.1 | 64% | 0.644 | 33% | 0.331 | S | S | * | . | trans | -58.7 | 157.9 | 162.5 | 62 | 0 | 0 | 0 | 0 | 110 | K1227 G1228 R1229 | T1225-K1227 PolarHBondContact O-N 3.5Å; T1225-K1227 VanDerWaalsContact O-N 3.16Å; T1225-G1228 CarbonylContact O-C 3.58Å; T1225-G1228 VanDerWaalsContact O-CA 3.27Å; T1225-G1228 WeakPolarHBondContact O-CA 3.43Å; T1225-G1228 PolarHBondContact O-N 3.11Å; T1225-G1228 PolarHBondContact OG1-N 2.95Å; T1225-R1229 PolarHBondContact O-N 3.33Å | ||
| 1226 | Q | 84.8 | Confident | 92.3 | Very high | 130 Ų | 130 | 68.1 Ų | 68.1 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -52.9 | -41.4 | -178.5 | -162.2 | 173.9 | 11 | 0 | 0 | 112.7 | G1228 R1229 E1230 | Q1226-G1228 VanDerWaalsContact C-N 3.34Å; Q1226-G1228 PolarHBondContact O-N 2.94Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.41Å; Q1226-R1229 PolarHBondContact O-N 2.97Å; Q1226-E1230 PolarHBondContact O-N 3.43Å |
| 1227 | K | 85.6 | Confident | 92.1 | Very high | 171 Ų | 171 | 66.3 Ų | 66.3 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.8 | -24 | 173.6 | -167.5 | 165.2 | -172.2 | 164.5 | 0 | 114.4 | T1225 | T1225-K1227 PolarHBondContact O-N 3.5Å; T1225-K1227 VanDerWaalsContact O-N 3.16Å |
| 1228 | G | 91.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 22% | 0.216 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.6 | -18.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1225 Q1226 P1231 | T1225-G1228 CarbonylContact O-C 3.58Å; T1225-G1228 VanDerWaalsContact O-CA 3.27Å; T1225-G1228 WeakPolarHBondContact O-CA 3.43Å; T1225-G1228 PolarHBondContact O-N 3.11Å; T1225-G1228 PolarHBondContact OG1-N 2.95Å; Q1226-G1228 VanDerWaalsContact C-N 3.34Å; Q1226-G1228 PolarHBondContact O-N 2.94Å; G1228-P1231 WeakPolarHBondContact O-CD 3.2Å |
| 1229 | R | 93.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -78.3 | -32.7 | 173.7 | -65.2 | 172.3 | -172.3 | -157.3 | 0.5 | 112.2 | W1221 L1224 T1225 Q1226 P1231 F1232 I1233 | W1221-R1229 HydrophobicContact CD2-CG 4.11Å; W1221-R1229 HydrophobicContact CE3-CB 4.32Å; W1221-R1229 HydrophobicContact CE3-CG 3.92Å; W1221-R1229 HydrophobicContact CH2-CB 3.58Å; W1221-R1229 HydrophobicContact CH2-CG 3.74Å; W1221-R1229 HydrophobicContact CZ2-CB 4.16Å; W1221-R1229 HydrophobicContact CZ2-CG 3.89Å; W1221-R1229 HydrophobicContact CZ3-CB 3.64Å; W1221-R1229 HydrophobicContact CZ3-CG 3.72Å; L1224-R1229 HydrophobicContact CB-CG 3.66Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.14Å; T1225-R1229 PolarHBondContact O-N 3.33Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.41Å; Q1226-R1229 PolarHBondContact O-N 2.97Å; R1229-P1231 VanDerWaalsContact C-CD 3.44Å; R1229-P1231 VanDerWaalsContact C-N 3.35Å; R1229-P1231 VanDerWaalsContact O-N 3.16Å; R1229-F1232 WeakPolarHBondContact O-CB 3.45Å; R1229-F1232 PolarHBondContact O-N 3.38Å; R1229-I1233 HydrophobicContact CB-CD1 4.11Å; R1229-I1233 PolarHBondContact O-N 2.84Å; R1229-I1233 VanDerWaalsContact O-N 3.08Å |
| 1230 | E | 92.6 | Very high | 91.9 | Very high | 64 Ų | 64 | 55.1 Ų | 55.1 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -44.5 | -46.8 | -178.1 | -157.6 | -161.5 | 144.8 | 0 | 0 | 114.5 | L1165 Q1226 F1232 I1233 R1234 | L1165-E1230 HydrophobicContact CD1-CG 3.51Å; Q1226-E1230 PolarHBondContact O-N 3.43Å; E1230-F1232 PolarHBondContact O-N 2.85Å; E1230-I1233 PolarHBondContact O-N 3.1Å; E1230-R1234 WeakPolarHBondContact O-CG 3.35Å; E1230-R1234 PolarHBondContact O-N 3.32Å; E1230-R1234 IonicContact OE1-CZ 3.35Å; E1230-R1234 VanDerWaalsContact OE1-CZ 3.23Å; E1230-R1234 IonicContact OE1-NE 3.37Å; E1230-R1234 PolarHBondContact OE1-NE 3.04Å; E1230-R1234 IonicContact OE1-NH2 3.06Å; E1230-R1234 PolarHBondContact OE1-NH2 3.14Å |
| 1231 | P | 94.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -34.6 | 179 | -21 | 35.6 | 0 | 0 | 0 | 113.2 | L1204 L1206 L1214 G1228 R1229 M1235 | L1204-P1231 HydrophobicContact CD2-CB 4.45Å; L1204-P1231 VanDerWaalsContact CD2-O 3.28Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.05Å; L1206-P1231 HydrophobicContact CD1-CB 4.1Å; L1206-P1231 HydrophobicContact CD1-CG 4.14Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; G1228-P1231 WeakPolarHBondContact O-CD 3.2Å; R1229-P1231 VanDerWaalsContact C-CD 3.44Å; R1229-P1231 VanDerWaalsContact C-N 3.35Å; R1229-P1231 VanDerWaalsContact O-N 3.16Å; P1231-M1235 WeakPolarHBondContact O-CB 3.35Å; P1231-M1235 PolarHBondContact O-N 2.93Å |
| 1232 | F | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.3 | -34.3 | 177 | -68.9 | -84.4 | 0 | 0 | 0 | 111.9 | T1178 L1214 P1218 W1221 L1224 R1229 E1230 M1235 Q1236 | T1178-F1232 HydrophobicContact CG2-CD1 3.86Å; T1178-F1232 HydrophobicContact CG2-CD2 4.16Å; T1178-F1232 HydrophobicContact CG2-CE1 3.94Å; T1178-F1232 HydrophobicContact CG2-CE2 4.21Å; T1178-F1232 HydrophobicContact CG2-CG 3.99Å; T1178-F1232 HydrophobicContact CG2-CZ 4.11Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.43Å; L1214-F1232 HydrophobicContact CD1-CD2 4.33Å; L1214-F1232 HydrophobicContact CD1-CE1 4.42Å; L1214-F1232 HydrophobicContact CD1-CE2 3.48Å; L1214-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1214-F1232 HydrophobicContact CD1-CZ 3.53Å; L1214-F1232 HydrophobicContact CG-CE2 4.49Å; L1214-F1232 HydrophobicContact CG-CZ 4.2Å; P1218-F1232 HydrophobicContact CB-CE1 3.8Å; P1218-F1232 HydrophobicContact CB-CZ 3.73Å; W1221-F1232 HydrophobicContact CZ3-CB 4.1Å; L1224-F1232 HydrophobicContact CD1-CD2 3.46Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.46Å; L1224-F1232 HydrophobicContact CD1-CE2 3.48Å; L1224-F1232 VanDerWaalsContact CD1-CE2 3.48Å; L1224-F1232 HydrophobicContact CD1-CG 4.41Å; L1224-F1232 HydrophobicContact CD1-CZ 4.46Å; L1224-F1232 HydrophobicContact CD2-CE2 4.24Å; R1229-F1232 WeakPolarHBondContact O-CB 3.45Å; R1229-F1232 PolarHBondContact O-N 3.38Å; E1230-F1232 PolarHBondContact O-N 2.85Å; F1232-M1235 HydrophobicContact CD1-CE 3.43Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.43Å; F1232-M1235 HydrophobicContact CE1-CE 3.74Å; F1232-M1235 HydrophobicContact CG-CE 4.3Å; F1232-M1235 PolarHBondContact O-N 3.36Å; F1232-Q1236 PolarHBondContact O-N 2.92Å |
| 1233 | I | 93.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -47.5 | 175 | -59.4 | 162 | 0 | 0 | 0 | 110.4 | L1165 D1169 I1170 Y1173 L1176 W1221 R1229 E1230 M1235 Q1236 L1237 | L1165-I1233 HydrophobicContact CD1-CB 4.09Å; L1165-I1233 HydrophobicContact CD1-CG2 3.98Å; L1165-I1233 HydrophobicContact CD2-CG2 3.68Å; D1169-I1233 HydrophobicContact CB-CG2 4.42Å; I1170-I1233 HydrophobicContact CB-CD1 4.45Å; I1170-I1233 HydrophobicContact CG1-CD1 4.21Å; I1170-I1233 HydrophobicContact CG2-CD1 4.37Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.81Å; L1176-I1233 HydrophobicContact CD1-CG1 4.3Å; W1221-I1233 HydrophobicContact CH2-CD1 4.09Å; W1221-I1233 HydrophobicContact CH2-CG1 3.84Å; W1221-I1233 HydrophobicContact CZ3-CG1 4.37Å; R1229-I1233 HydrophobicContact CB-CD1 4.11Å; R1229-I1233 PolarHBondContact O-N 2.84Å; R1229-I1233 VanDerWaalsContact O-N 3.08Å; E1230-I1233 PolarHBondContact O-N 3.1Å; I1233-M1235 PolarHBondContact O-N 3.02Å; I1233-Q1236 PolarHBondContact O-N 2.85Å; I1233-Q1236 VanDerWaalsContact O-N 3.14Å; I1233-L1237 PolarHBondContact O-N 2.95Å |
| 1234 | R | 93.7 | Very high | 90 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 171.7 | -70.4 | -179.3 | -177.1 | -80.9 | -0.6 | 111.6 | L1162 P1163 L1165 L1204 E1230 L1237 F1238 | L1162-R1234 HydrophobicContact CD1-CB 3.84Å; L1162-R1234 HydrophobicContact CD1-CG 4.26Å; L1162-R1234 VanDerWaalsContact CD1-O 3.25Å; L1162-R1234 WeakPolarHBondContact CD1-O 3.41Å; P1163-R1234 PolarHBondContact O-NH1 2.83Å; L1165-R1234 HydrophobicContact CD1-CG 3.8Å; L1165-R1234 HydrophobicContact CG-CG 4.16Å; L1204-R1234 HydrophobicContact CD2-CB 3.67Å; E1230-R1234 WeakPolarHBondContact O-CG 3.35Å; E1230-R1234 PolarHBondContact O-N 3.32Å; E1230-R1234 IonicContact OE1-CZ 3.35Å; E1230-R1234 VanDerWaalsContact OE1-CZ 3.23Å; E1230-R1234 IonicContact OE1-NE 3.37Å; E1230-R1234 PolarHBondContact OE1-NE 3.04Å; E1230-R1234 IonicContact OE1-NH2 3.06Å; E1230-R1234 PolarHBondContact OE1-NH2 3.14Å; R1234-L1237 PolarHBondContact O-N 3.02Å; R1234-F1238 PolarHBondContact O-N 3.22Å |
| 1235 | M | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177 | -165.6 | 158.2 | 61.6 | 0 | 0 | 112 | I1181 A1182 T1185 F1199 L1204 L1215 P1231 F1232 I1233 F1238 L1239 | I1181-M1235 HydrophobicContact CB-CE 4.33Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.69Å; I1181-M1235 HydrophobicContact CG2-CG 3.73Å; I1181-M1235 HydrophobicContact CG2-SD 4.41Å; A1182-M1235 HydrophobicContact CB-CE 4.3Å; T1185-M1235 HydrophobicContact CG2-CG 3.84Å; T1185-M1235 HydrophobicContact CG2-SD 3.71Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.41Å; T1185-M1235 PolarHBondContact OG1-SD 3.31Å; T1185-M1235 VanDerWaalsContact OG1-SD 3.41Å; F1199-M1235 HydrophobicContact CE1-SD 4.36Å; F1199-M1235 HydrophobicContact CZ-CG 4.09Å; F1199-M1235 HydrophobicContact CZ-SD 4.35Å; L1204-M1235 HydrophobicContact CD2-CB 4.33Å; L1215-M1235 HydrophobicContact CD2-CE 4.27Å; L1215-M1235 HydrophobicContact CD2-SD 3.64Å; P1231-M1235 WeakPolarHBondContact O-CB 3.35Å; P1231-M1235 PolarHBondContact O-N 2.93Å; F1232-M1235 HydrophobicContact CD1-CE 3.43Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.43Å; F1232-M1235 HydrophobicContact CE1-CE 3.74Å; F1232-M1235 HydrophobicContact CG-CE 4.3Å; F1232-M1235 PolarHBondContact O-N 3.36Å; I1233-M1235 PolarHBondContact O-N 3.02Å; M1235-F1238 WeakPolarHBondContact O-CB 3.16Å; M1235-F1238 PolarHBondContact O-N 3.38Å; M1235-L1239 WeakPolarHBondContact O-CG 3.34Å; M1235-L1239 PolarHBondContact O-N 2.95Å |
| 1236 | Q | 93.5 | Very high | 89.2 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 173.1 | -170.2 | 64.3 | 38 | 0 | 0 | 112.2 | Y1173 L1176 I1181 F1232 I1233 F1238 L1239 N1240 | Y1173-Q1236 HydrophobicContact CD1-CG 4.14Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.91Å; L1176-Q1236 HydrophobicContact CD1-CB 4.33Å; L1176-Q1236 HydrophobicContact CD2-CG 4.38Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.24Å; F1232-Q1236 PolarHBondContact O-N 2.92Å; I1233-Q1236 PolarHBondContact O-N 2.85Å; I1233-Q1236 VanDerWaalsContact O-N 3.14Å; Q1236-F1238 VanDerWaalsContact C-N 3.26Å; Q1236-F1238 PolarHBondContact O-N 2.87Å; Q1236-L1239 PolarHBondContact O-N 3.08Å; Q1236-L1239 VanDerWaalsContact O-N 3.16Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.31Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.14Å; Q1236-N1240 PolarHBondContact O-OD1 2.88Å |
| 1237 | L | 91.1 | Very high | 89 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -31.4 | 175.1 | -71.6 | 178.9 | 0 | 0 | 0 | 112.9 | L1162 L1165 Y1173 I1233 R1234 N1241 H1244 | L1162-L1237 HydrophobicContact CD1-CB 4.34Å; L1165-L1237 HydrophobicContact CD2-CD1 3.42Å; L1165-L1237 VanDerWaalsContact CD2-CD1 3.42Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.77Å; Y1173-L1237 HydrophobicContact CE2-CG 4.24Å; I1233-L1237 PolarHBondContact O-N 2.95Å; R1234-L1237 PolarHBondContact O-N 3.02Å; L1237-N1241 PolarHBondContact O-ND2 3.22Å; L1237-H1244 PolarHBondContact O-CE1 3.44Å; L1237-H1244 PolarHBondContact O-ND1 3.06Å |
| 1238 | F | 92.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.9 | -44.9 | 170.2 | 172 | -94.9 | 0 | 0 | 0 | 112.2 | I1188 F1199 I1203 R1234 M1235 Q1236 N1240 H1244 I1245 L1248 | I1188-F1238 HydrophobicContact CG2-CE1 3.96Å; I1188-F1238 HydrophobicContact CG2-CZ 4.12Å; F1199-F1238 HydrophobicContact CD2-CE1 4.36Å; F1199-F1238 HydrophobicContact CD2-CE2 4.34Å; F1199-F1238 HydrophobicContact CD2-CZ 4.25Å; F1199-F1238 HydrophobicContact CE2-CB 4.45Å; F1199-F1238 AromaticContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD1 3.66Å; F1199-F1238 HydrophobicContact CE2-CD2 4.04Å; F1199-F1238 AromaticContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE1 3.81Å; F1199-F1238 HydrophobicContact CE2-CE2 4.19Å; F1199-F1238 AromaticContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CG 3.78Å; F1199-F1238 HydrophobicContact CE2-CZ 4.08Å; F1199-F1238 HydrophobicContact CZ-CD1 4.32Å; I1203-F1238 HydrophobicContact CD1-CD2 3.81Å; I1203-F1238 HydrophobicContact CD1-CE2 4.31Å; I1203-F1238 HydrophobicContact CG1-CD2 3.89Å; I1203-F1238 HydrophobicContact CG1-CE2 4.24Å; I1203-F1238 HydrophobicContact CG2-CB 3.88Å; I1203-F1238 HydrophobicContact CG2-CD2 4.21Å; I1203-F1238 HydrophobicContact CG2-CG 4.21Å; R1234-F1238 PolarHBondContact O-N 3.22Å; M1235-F1238 WeakPolarHBondContact O-CB 3.16Å; M1235-F1238 PolarHBondContact O-N 3.38Å; Q1236-F1238 VanDerWaalsContact C-N 3.26Å; Q1236-F1238 PolarHBondContact O-N 2.87Å; F1238-N1240 VanDerWaalsContact C-N 3.32Å; F1238-N1240 PolarHBondContact O-N 3.38Å; F1238-H1244 HydrophobicContact CD2-CB 3.74Å; F1238-H1244 HydrophobicContact CE2-CB 4.29Å; F1238-I1245 HydrophobicContact CE2-CG1 4.15Å; F1238-I1245 HydrophobicContact CZ-CG1 3.93Å; F1238-L1248 HydrophobicContact CE2-CD2 3.83Å; F1238-L1248 HydrophobicContact CZ-CD2 4.29Å |
| 1239 | L | 92.2 | Very high | 88.2 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -32.9 | 176.7 | -68.1 | -178.7 | 0 | 0 | 0 | 113.2 | I1181 R1184 I1188 M1235 Q1236 N1241 | I1181-L1239 HydrophobicContact CB-CD1 4.46Å; I1181-L1239 HydrophobicContact CG2-CD1 3.86Å; R1184-L1239 HydrophobicContact CB-CD1 3.65Å; R1184-L1239 HydrophobicContact CB-CD2 4.05Å; R1184-L1239 HydrophobicContact CG-CD1 4.49Å; I1188-L1239 HydrophobicContact CD1-CD2 3.66Å; I1188-L1239 HydrophobicContact CG1-CD2 4.44Å; M1235-L1239 WeakPolarHBondContact O-CG 3.34Å; M1235-L1239 PolarHBondContact O-N 2.95Å; Q1236-L1239 PolarHBondContact O-N 3.08Å; Q1236-L1239 VanDerWaalsContact O-N 3.16Å; L1239-N1241 PolarHBondContact O-N 3.15Å |
| 1240 | N | 90.2 | Very high | 87.3 | Confident | 73 Ų | 73 | 42.5 Ų | 42.5 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.5 | -175.4 | -74.1 | -1.6 | 0 | 0 | 0 | 114.2 | Y1173 Q1236 F1238 | Y1173-N1240 PolarHBondContact OH-ND2 3.2Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.31Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.14Å; Q1236-N1240 PolarHBondContact O-OD1 2.88Å; F1238-N1240 VanDerWaalsContact C-N 3.32Å; F1238-N1240 PolarHBondContact O-N 3.38Å |
| 1241 | N | 85.1 | Confident | 86.1 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 35% | 0.353 | 21% | 0.212 | S | C | . | . | trans | -133.2 | 110.8 | -175.3 | -54.8 | -88.7 | 0 | 0 | 0 | 110.4 | L1237 L1239 D1243 H1244 | L1237-N1241 PolarHBondContact O-ND2 3.22Å; L1239-N1241 PolarHBondContact O-N 3.15Å; N1241-D1243 PolarHBondContact O-N 3.47Å; N1241-H1244 PolarHBondContact O-N 3.4Å; N1241-H1244 VanDerWaalsContact O-N 3.14Å | ||
| 1242 | P | 77 | Confident | 84.4 | Confident | 86 Ų | 86 | 41.3 Ų | 41.3 | 56% | 0.558 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27 | -177.2 | 26.3 | -34.4 | 0 | 0 | 0 | 112.8 | H1244 I1245 I1246 | P1242-H1244 PolarHBondContact O-N 3.05Å; P1242-H1244 VanDerWaalsContact O-N 3.15Å; P1242-I1245 WeakPolarHBondContact O-CA 3.34Å; P1242-I1245 WeakPolarHBondContact O-CB 3.34Å; P1242-I1245 WeakPolarHBondContact O-CG1 3.38Å; P1242-I1245 PolarHBondContact O-N 3.19Å; P1242-I1246 PolarHBondContact O-N 2.96Å |
| 1243 | D | 82.4 | Confident | 82 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -26.5 | 177.3 | -52.3 | -17.3 | 0 | 0 | 0 | 113 | N1241 I1245 I1246 K1247 | N1241-D1243 PolarHBondContact O-N 3.47Å; D1243-I1245 PolarHBondContact O-N 2.88Å; D1243-I1246 PolarHBondContact O-N 3.44Å; D1243-K1247 WeakPolarHBondContact O-CB 3.37Å; D1243-K1247 WeakPolarHBondContact O-CG 3.49Å; D1243-K1247 PolarHBondContact O-N 3.15Å |
| 1244 | H | 83.1 | Confident | 79.4 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -24.5 | 173.9 | -64.8 | 148.8 | 0 | 0 | 0 | 112.2 | L1162 L1237 F1238 N1241 P1242 L1248 | L1162-H1244 WeakPolarHBondContact CD2-CE1 3.01Å; L1162-H1244 WeakPolarHBondContact CD2-ND1 3.27Å; L1237-H1244 PolarHBondContact O-CE1 3.44Å; L1237-H1244 PolarHBondContact O-ND1 3.06Å; F1238-H1244 HydrophobicContact CD2-CB 3.74Å; F1238-H1244 HydrophobicContact CE2-CB 4.29Å; N1241-H1244 PolarHBondContact O-N 3.4Å; N1241-H1244 VanDerWaalsContact O-N 3.14Å; P1242-H1244 PolarHBondContact O-N 3.05Å; P1242-H1244 VanDerWaalsContact O-N 3.15Å; H1244-L1248 WeakPolarHBondContact O-CB 3.48Å; H1244-L1248 PolarHBondContact O-N 3.12Å; H1244-L1248 VanDerWaalsContact O-N 3.08Å |
| 1245 | I | 83.6 | Confident | 77 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -44.4 | 171.3 | -49.1 | 172.3 | 0 | 0 | 0 | 109.5 | I1188 Y1192 I1194 F1238 P1242 D1243 L1248 L1249 | I1188-I1245 HydrophobicContact CD1-CD1 4.33Å; I1188-I1245 HydrophobicContact CG2-CD1 3.71Å; I1188-I1245 HydrophobicContact CG2-CG1 4.14Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.85Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.39Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.85Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.17Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.93Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.68Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; F1238-I1245 HydrophobicContact CE2-CG1 4.15Å; F1238-I1245 HydrophobicContact CZ-CG1 3.93Å; P1242-I1245 WeakPolarHBondContact O-CA 3.34Å; P1242-I1245 WeakPolarHBondContact O-CB 3.34Å; P1242-I1245 WeakPolarHBondContact O-CG1 3.38Å; P1242-I1245 PolarHBondContact O-N 3.19Å; D1243-I1245 PolarHBondContact O-N 2.88Å; I1245-L1248 PolarHBondContact O-N 2.76Å; I1245-L1249 HydrophobicContact CG2-CD1 4.13Å; I1245-L1249 WeakPolarHBondContact O-CB 3.35Å; I1245-L1249 WeakPolarHBondContact O-CG 3.35Å; I1245-L1249 PolarHBondContact O-N 3.41Å |
| 1246 | I | 81.6 | Confident | 74 | Confident | 83 Ų | 83 | 55 Ų | 55 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -51 | 179.1 | -57.7 | 176 | 0 | 0 | 0 | 110.8 | P1242 D1243 L1248 L1249 Q1250 | P1242-I1246 PolarHBondContact O-N 2.96Å; D1243-I1246 PolarHBondContact O-N 3.44Å; I1246-L1248 VanDerWaalsContact C-N 3.26Å; I1246-L1248 PolarHBondContact O-N 3.46Å; I1246-L1249 WeakPolarHBondContact O-CB 3.48Å; I1246-L1249 PolarHBondContact O-N 3.06Å; I1246-L1249 VanDerWaalsContact O-N 3.13Å; I1246-Q1250 WeakPolarHBondContact O-CG 3.35Å; I1246-Q1250 PolarHBondContact O-N 3.03Å |
| 1247 | K | 81.9 | Confident | 70.9 | Confident | 100 Ų | 100 | 56 Ų | 56 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 175.8 | -70.7 | 171.5 | 179.8 | 171.3 | 0 | 112 | V1161 D1243 S1251 | V1161-K1247 HydrophobicContact CG1-CB 3.88Å; D1243-K1247 WeakPolarHBondContact O-CB 3.37Å; D1243-K1247 WeakPolarHBondContact O-CG 3.49Å; D1243-K1247 PolarHBondContact O-N 3.15Å; K1247-S1251 VanDerWaalsContact O-CB 3.24Å; K1247-S1251 WeakPolarHBondContact O-CB 3.46Å; K1247-S1251 PolarHBondContact O-N 3.45Å; K1247-S1251 PolarHBondContact O-OG 3.16Å |
| 1248 | L | 82 | Confident | 68 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 174.1 | -177.8 | 57.2 | 0 | 0 | 0 | 111.6 | I1194 F1199 Y1202 I1203 F1238 H1244 I1245 I1246 S1251 C1252 | I1194-L1248 HydrophobicContact CD1-CD2 4.16Å; I1194-L1248 HydrophobicContact CD1-CG 4.46Å; I1194-L1248 HydrophobicContact CG2-CD2 3.73Å; I1194-L1248 HydrophobicContact CG2-CG 4.16Å; F1199-L1248 HydrophobicContact CD2-CD2 4.1Å; Y1202-L1248 VanDerWaalsContact CB-CD1 3.46Å; Y1202-L1248 HydrophobicContact CD2-CD1 4.37Å; Y1202-L1248 HydrophobicContact CG-CD1 4.11Å; I1203-L1248 HydrophobicContact CD1-CD2 4.36Å; I1203-L1248 HydrophobicContact CG1-CD1 4.37Å; I1203-L1248 HydrophobicContact CG1-CD2 3.87Å; F1238-L1248 HydrophobicContact CE2-CD2 3.83Å; F1238-L1248 HydrophobicContact CZ-CD2 4.29Å; H1244-L1248 WeakPolarHBondContact O-CB 3.48Å; H1244-L1248 PolarHBondContact O-N 3.12Å; H1244-L1248 VanDerWaalsContact O-N 3.08Å; I1245-L1248 PolarHBondContact O-N 2.76Å; I1246-L1248 VanDerWaalsContact C-N 3.26Å; I1246-L1248 PolarHBondContact O-N 3.46Å; L1248-S1251 WeakPolarHBondContact O-CB 3.41Å; L1248-S1251 PolarHBondContact O-N 2.78Å; L1248-C1252 PolarHBondContact O-N 2.92Å; L1248-C1252 PolarHBondContact O-SG 3.47Å |
| 1249 | L | 77.9 | Confident | 64.9 | Low | 70 Ų | 70 | 63.5 Ų | 63.5 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.1 | -76.5 | 161.8 | 0 | 0 | 0 | 111.7 | Y1192 I1194 I1245 I1246 S1251 C1252 S1253 | Y1192-L1249 HydrophobicContact CD1-CD1 4.24Å; I1194-L1249 HydrophobicContact CD1-CD2 4.26Å; I1194-L1249 HydrophobicContact CD1-CG 4.11Å; I1194-L1249 HydrophobicContact CG1-CD2 4.02Å; I1194-L1249 HydrophobicContact CG1-CG 4.42Å; I1245-L1249 HydrophobicContact CG2-CD1 4.13Å; I1245-L1249 WeakPolarHBondContact O-CB 3.35Å; I1245-L1249 WeakPolarHBondContact O-CG 3.35Å; I1245-L1249 PolarHBondContact O-N 3.41Å; I1246-L1249 WeakPolarHBondContact O-CB 3.48Å; I1246-L1249 PolarHBondContact O-N 3.06Å; I1246-L1249 VanDerWaalsContact O-N 3.13Å; L1249-S1251 PolarHBondContact O-N 2.95Å; L1249-C1252 WeakPolarHBondContact O-CB 3.37Å; L1249-C1252 PolarHBondContact O-N 3.44Å; L1249-C1252 VanDerWaalsContact O-N 3.1Å; L1249-S1253 PolarHBondContact O-N 2.91Å; L1249-S1253 PolarHBondContact O-OG 3.31Å |
| 1250 | Q | 74.1 | Confident | 62 | Low | 113 Ų | 113 | 69.7 Ų | 69.7 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 173.1 | -70.2 | 167.3 | -24.4 | 0 | 0 | 111.4 | I1246 C1252 S1253 C1254 | I1246-Q1250 WeakPolarHBondContact O-CG 3.35Å; I1246-Q1250 PolarHBondContact O-N 3.03Å; Q1250-C1252 PolarHBondContact O-N 2.89Å; Q1250-S1253 WeakPolarHBondContact O-CB 3.48Å; Q1250-S1253 PolarHBondContact O-N 2.89Å; Q1250-C1254 PolarHBondContact O-N 2.95Å; Q1250-C1254 PolarHBondContact O-SG 3.19Å; Q1250-C1254 VanDerWaalsContact O-SG 3.36Å |
| 1251 | S | 68.4 | Low | 59 | Low | 27 Ų | 27 | 71 Ų | 71 | 19% | 0.189 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -24.8 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | Y1202 K1247 L1248 L1249 | Y1202-S1251 PolarHBondContact OH-O 2.88Å; K1247-S1251 VanDerWaalsContact O-CB 3.24Å; K1247-S1251 WeakPolarHBondContact O-CB 3.46Å; K1247-S1251 PolarHBondContact O-N 3.45Å; K1247-S1251 PolarHBondContact O-OG 3.16Å; L1248-S1251 WeakPolarHBondContact O-CB 3.41Å; L1248-S1251 PolarHBondContact O-N 2.78Å; L1249-S1251 PolarHBondContact O-N 2.95Å |
| 1252 | C | 58.6 | Low | 56.2 | Low | 31 Ų | 31 | 75.4 Ų | 75.4 | 21% | 0.209 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73.6 | -40.5 | 173.9 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | L1198 L1248 L1249 Q1250 C1254 Q1255 | L1198-C1252 HydrophobicContact CD1-CB 4.24Å; L1198-C1252 VanDerWaalsContact CD1-SG 3.55Å; L1198-C1252 HydrophobicContact CD2-CB 4.48Å; L1248-C1252 PolarHBondContact O-N 2.92Å; L1248-C1252 PolarHBondContact O-SG 3.47Å; L1249-C1252 WeakPolarHBondContact O-CB 3.37Å; L1249-C1252 PolarHBondContact O-N 3.44Å; L1249-C1252 VanDerWaalsContact O-N 3.1Å; Q1250-C1252 PolarHBondContact O-N 2.89Å; C1252-C1254 PolarHBondContact O-N 3.47Å; C1252-Q1255 WeakPolarHBondContact O-CB 3.45Å; C1252-Q1255 PolarHBondContact O-N 3.32Å |
| 1253 | S | 46 | Very low | 54 | Low | 90 Ų | 90 | 79.9 Ų | 79.9 | 63% | 0.629 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.6 | -47.1 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | L1249 Q1250 Q1255 S1256 | L1249-S1253 PolarHBondContact O-N 2.91Å; L1249-S1253 PolarHBondContact O-OG 3.31Å; Q1250-S1253 WeakPolarHBondContact O-CB 3.48Å; Q1250-S1253 PolarHBondContact O-N 2.89Å; S1253-Q1255 PolarHBondContact O-N 3.27Å; S1253-S1256 PolarHBondContact O-N 3.18Å |
| 1254 | C | 38.6 | Very low | 51.2 | Low | 85 Ų | 85 | 83.8 Ų | 83.8 | 57% | 0.574 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.7 | -179.2 | -53.5 | 0 | 0 | 0 | 0 | 114.6 | Q1250 C1252 | Q1250-C1254 PolarHBondContact O-N 2.95Å; Q1250-C1254 PolarHBondContact O-SG 3.19Å; Q1250-C1254 VanDerWaalsContact O-SG 3.36Å; C1252-C1254 PolarHBondContact O-N 3.47Å |
| 1255 | Q | 43.4 | Very low | 48.5 | Very low | 89 Ų | 89 | 86.3 Ų | 86.3 | 42% | 0.416 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.3 | 179.5 | -159.7 | 101.6 | 125 | 0 | 0 | 113.1 | R1159 Y1202 C1252 S1253 | R1159-Q1255 VanDerWaalsContact NH1-NE2 3.16Å; Y1202-Q1255 PolarHBondContact OH-NE2 3.25Å; C1252-Q1255 WeakPolarHBondContact O-CB 3.45Å; C1252-Q1255 PolarHBondContact O-N 3.32Å; S1253-Q1255 PolarHBondContact O-N 3.27Å |
| 1256 | S | 31.9 | Very low | 45.7 | Very low | 51 Ų | 51 | 92.3 Ų | 92.3 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -102.1 | 83.9 | 172.9 | -84.3 | 0 | 0 | 0 | 0 | 111.4 | S1253 R1414 D1418 | S1253-S1256 PolarHBondContact O-N 3.18Å; S1256-R1414 PolarHBondContact OG-NH2 2.98Å; S1256-D1418 WeakPolarHBondContact CB-OD2 3.23Å; S1256-D1418 PolarHBondContact OG-OD2 3.36Å |
| 1257 | G | 27.3 | Very low | 43.3 | Very low | 44 Ų | 44 | 95 Ų | 95 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 63.1 | 76.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1258 | I | 29.8 | Very low | 40.5 | Very low | 113 Ų | 113 | 97.2 Ų | 97.2 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | trans | 30.1 | 91.8 | 158.2 | -35.8 | 173 | 0 | 0 | 0 | 115.9 | F1475 | I1258-F1475 HydrophobicContact CB-CB 4.49Å; I1258-F1475 HydrophobicContact CB-CD1 3.83Å; I1258-F1475 HydrophobicContact CB-CE1 4.26Å; I1258-F1475 HydrophobicContact CB-CG 4.1Å; I1258-F1475 HydrophobicContact CD1-CD1 4.33Å; I1258-F1475 HydrophobicContact CG2-CD1 3.49Å; I1258-F1475 VanDerWaalsContact CG2-CD1 3.49Å; I1258-F1475 HydrophobicContact CG2-CE1 3.41Å; I1258-F1475 VanDerWaalsContact CG2-CE1 3.41Å; I1258-F1475 HydrophobicContact CG2-CG 4.15Å; I1258-F1475 HydrophobicContact CG2-CZ 4.02Å; I1258-F1475 WeakPolarHBondContact O-CD2 3.42Å; I1258-F1475 VanDerWaalsContact O-CG 3.26Å; I1258-F1475 WeakPolarHBondContact O-CG 3.34Å | ||
| 1259 | I | 28 | Very low | 38 | Very low | 70 Ų | 70 | 103.8 Ų | 103.8 | 36% | 0.359 | 57% | 0.572 | S | S | . | * | trans | -137.9 | 127.9 | 134.9 | -73 | -151.8 | 0 | 0 | 0 | 107.5 | N1471 F1475 | I1259-N1471 HydrophobicContact CD1-CB 3.37Å; I1259-N1471 HydrophobicContact CG1-CB 4.26Å; I1259-F1475 HydrophobicContact CD1-CD2 4.28Å; I1259-F1475 HydrophobicContact CD1-CE2 4.18Å; I1259-F1475 HydrophobicContact CG1-CD2 3.79Å; I1259-F1475 HydrophobicContact CG1-CE2 3.73Å | ||
| 1260 | H | 32.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 104.4 Ų | 104.4 | 74% | 0.741 | 58% | 0.582 | S | S | * | * | trans | -167.9 | 92.5 | 138.2 | -97 | -66.4 | 0 | 0 | 0 | 106.4 | ||||
| 1261 | S | 27.1 | Very low | 33.3 | Very low | 101 Ų | 101 | 104.2 Ų | 104.2 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | trans | -69.6 | 144.4 | 157.5 | 44.1 | 0 | 0 | 0 | 0 | 108.5 | H1263 | S1261-H1263 PolarHBondContact O-N 2.92Š| ||
| 1262 | N | 25.5 | Very low | 31.4 | Very low | 159 Ų | 159 | 109.7 Ų | 109.7 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | trans | -63.5 | 126.4 | -176.1 | -65.5 | -18.7 | 0 | 0 | 0 | 111.5 | ||||
| 1263 | H | 30.4 | Very low | 29.9 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 83% | 0.829 | 65% | 0.653 | S | S | * | * | trans | -137.3 | 114.4 | 138 | -117 | -62.5 | 0 | 0 | 0 | 108.1 | S1261 | S1261-H1263 PolarHBondContact O-N 2.92Š| ||
| 1264 | Q | 25.1 | Very low | 29.1 | Very low | 156 Ų | 156 | 116.7 Ų | 116.7 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | trans | -80.7 | 115.7 | 168.7 | -177.8 | 72.1 | 28.3 | 0 | 0 | 107.2 | D1266 | Q1264-D1266 PolarHBondContact NE2-OD1 3Š| ||
| 1265 | S | 26.3 | Very low | 28.8 | Very low | 81 Ų | 81 | 120 Ų | 120 | 57% | 0.566 | 66% | 0.663 | S | S | * | * | trans | -157.5 | 116.5 | 167.2 | 57 | 0 | 0 | 0 | 0 | 107.3 | I1267 | S1265-I1267 PolarHBondContact O-N 3.41Š| ||
| 1266 | D | 24.5 | Very low | 27.9 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -74.8 | 117.1 | -161.9 | -58 | -82.5 | 0 | 0 | 0 | 112.9 | Q1264 | Q1264-D1266 PolarHBondContact NE2-OD1 3Š| ||
| 1267 | I | 29.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 129 Ų | 129 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -107.6 | 93.9 | 172.3 | -64.3 | -179.1 | 0 | 0 | 0 | 108.5 | S1265 I1269 | S1265-I1267 PolarHBondContact O-N 3.41Å; I1267-I1269 HydrophobicContact CG2-CD1 3.66Å; I1267-I1269 HydrophobicContact CG2-CG1 3.86Å; I1267-I1269 PolarHBondContact O-N 3.38Å | ||
| 1268 | N | 24.4 | Very low | 28.1 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | -79.5 | 101.2 | 177.5 | -174.3 | 7.2 | 0 | 0 | 0 | 110.2 | ||||
| 1269 | I | 28.7 | Very low | 28 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -114.8 | 88.3 | 172.9 | -63.9 | 167.3 | 0 | 0 | 0 | 109.2 | I1267 | I1267-I1269 HydrophobicContact CG2-CD1 3.66Å; I1267-I1269 HydrophobicContact CG2-CG1 3.86Å; I1267-I1269 PolarHBondContact O-N 3.38Å | ||
| 1270 | S | 24.1 | Very low | 28.3 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | trans | -120.7 | 152.9 | 156.5 | -75.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1271 | S | 28.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 55.7 | 106.6 | -177.6 | 56.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1272 | N | 28.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | -165.2 | 120.6 | 109.4 | -111.8 | -34.1 | 0 | 0 | 0 | 113.5 | S1274 | N1272-S1274 PolarHBondContact OD1-O 2.9Š| |||
| 1273 | I | 26.5 | Very low | 28.6 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | -140.3 | 70.7 | 160.8 | -56.5 | -176.2 | 0 | 0 | 0 | 107.6 | ||||
| 1274 | S | 30.6 | Very low | 28.7 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | 177.1 | 148.1 | 162.3 | -100.8 | 0 | 0 | 0 | 0 | 106.5 | N1272 | N1272-S1274 PolarHBondContact OD1-O 2.9Š| ||
| 1275 | M | 30.9 | Very low | 29 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -135.7 | 166.8 | -5.4 | -118.1 | -168.2 | 75.5 | 0 | 0 | 109.6 | Q1277 | M1275-Q1277 HydrophobicContact CE-CB 4.23Š| ||
| 1276 | Q | 25.1 | Very low | 29.3 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -104.5 | 91.6 | 169.4 | -179.5 | -180 | -2.1 | 0 | 0 | 108.9 | ||||
| 1277 | Q | 31.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | trans | -153.5 | 151.7 | 165.5 | -152.6 | 69.9 | 48.6 | 0 | 0 | 109.8 | M1275 | M1275-Q1277 HydrophobicContact CE-CB 4.23Š| ||
| 1278 | Q | 33 | Very low | 30.4 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -40.9 | 132.2 | -177.2 | -69.6 | 121.9 | -43.1 | 0 | 0 | 114.1 | ||||
| 1279 | C | 26 | Very low | 30.5 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | 60 | 90.5 | 70.3 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1280 | I | 34.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | -176.7 | 139.4 | 118.5 | -93.3 | 157.8 | 0 | 0 | 0 | 109.9 | |||||
| 1281 | D | 27.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | -65.9 | 163.2 | 174 | -49.4 | -97.1 | 0 | 0 | 0 | 112 | ||||
| 1282 | Q | 34.8 | Very low | 30.9 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | cis | -139.8 | 151.6 | 15.6 | -104.2 | 123.5 | 52.9 | 0 | 0 | 107.9 | ||||
| 1283 | I | 29.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | 50.3 | 108.2 | 81.4 | -48.8 | 171.2 | 0 | 0 | 0 | 110.4 | |||||
| 1284 | I | 33.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 81% | 0.805 | 68% | 0.68 | S | S | * | * | -147.5 | 140.6 | 63.6 | -70.3 | 173.1 | 0 | 0 | 0 | 112.6 | |||||
| 1285 | P | 30.4 | Very low | 30.7 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 69% | 0.688 | 68% | 0.683 | S | S | * | * | trans | -97.7 | -176 | 166.1 | -9 | 31.1 | 0 | 0 | 0 | 114.2 | ||||
| 1286 | P | 32.3 | Very low | 30.6 | Very low | 76 Ų | 76 | 119 Ų | 119 | 49% | 0.494 | 67% | 0.668 | S | S | . | * | cis | -133.3 | -137.5 | -6.6 | 43.9 | -21.1 | 0 | 0 | 0 | 112.4 | ||||
| 1287 | P | 37.8 | Very low | 31 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 69% | 0.688 | 66% | 0.66 | S | S | * | * | -135.4 | -130.7 | -129.4 | 35.2 | -4.3 | 0 | 0 | 0 | 116.5 | |||||
| 1288 | P | 41.1 | Very low | 31 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | -139.4 | 179.5 | -92.6 | 44.2 | -26.9 | 0 | 0 | 0 | 119.5 | |||||
| 1289 | S | 26.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 114 Ų | 114 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | 93.1 | 120.7 | 132.3 | 72.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1290 | T | 30.8 | Very low | 30.9 | Very low | 122 Ų | 122 | 113.3 Ų | 113.3 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -179 | 161.9 | 141.3 | 21.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1291 | T | 29 | Very low | 30.7 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | cis | -166.2 | 144 | -44.9 | 25.9 | 0 | 0 | 0 | 0 | 109.4 | K953 | K953-T1291 WeakPolarHBondContact CE-OG1 3.28Å; K953-T1291 PolarHBondContact NZ-OG1 2.96Å | ||
| 1292 | T | 28.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 113.4 Ų | 113.4 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | trans | 65.7 | 154.3 | 150.7 | 52.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1293 | T | 27.8 | Very low | 30.5 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 44% | 0.442 | 66% | 0.657 | S | S | . | * | cis | -167.2 | 155.8 | 6.9 | 3.3 | 0 | 0 | 0 | 0 | 113.1 | L949 | L949-T1293 HydrophobicContact CB-CG2 4.42Å; L949-T1293 HydrophobicContact CD1-CG2 4.1Å; L949-T1293 HydrophobicContact CD2-CG2 4.23Å | ||
| 1294 | T | 29 | Very low | 31.1 | Very low | 66 Ų | 66 | 110.7 Ų | 110.7 | 41% | 0.405 | 65% | 0.654 | S | S | . | * | trans | 71.9 | 149.2 | 145.2 | -58.6 | 0 | 0 | 0 | 0 | 117.5 | L949 | L949-T1294 VanDerWaalsContact CB-OG1 3.32Å; L949-T1294 WeakPolarHBondContact CB-OG1 3.2Å | ||
| 1295 | F | 26.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 108.6 Ų | 108.6 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | cis | -151.7 | 166.3 | 2.4 | -132.8 | -26.7 | 0 | 0 | 0 | 111.8 | A948 | A948-F1295 VanDerWaalsContact O-CE1 3.25Å; A948-F1295 WeakPolarHBondContact O-CE1 3.14Å | ||
| 1296 | G | 28.9 | Very low | 30.5 | Very low | 43 Ų | 43 | 108.3 Ų | 108.3 | 44% | 0.443 | 65% | 0.653 | S | S | . | * | trans | 74.4 | 149.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1297 | N | 33.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 115.1 Ų | 115.1 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | cis | -157.4 | 149.3 | -7.8 | -110.2 | -0 | 0 | 0 | 0 | 112.7 | ||||
| 1298 | T | 31.9 | Very low | 29.8 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 61% | 0.607 | 67% | 0.674 | S | S | * | * | trans | 56.3 | 118.3 | 148.5 | 56.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1299 | L | 26.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 116.1 Ų | 116.1 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | 84.6 | 138.1 | 125.5 | -69.8 | 170 | 0 | 0 | 0 | 124.5 | |||||
| 1300 | S | 30 | Very low | 29.1 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | 94.7 | 109.8 | 162.8 | -50.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1301 | I | 29 | Very low | 28.8 | Very low | 145 Ų | 145 | 119.6 Ų | 119.6 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | 82.7 | 123.7 | 56.2 | -68.9 | 168.6 | 0 | 0 | 0 | 111.4 | |||||
| 1302 | L | 29.4 | Very low | 28.5 | Very low | 152 Ų | 152 | 124 Ų | 124 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | cis | -155.5 | 154.1 | -0.5 | -124 | 178.2 | 0 | 0 | 0 | 113.4 | ||||
| 1303 | N | 30.2 | Very low | 28.9 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | trans | -167.1 | 163.8 | 158.4 | -148.2 | 3.4 | 0 | 0 | 0 | 106.2 | ||||
| 1304 | P | 40.6 | Very low | 29.2 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | cis | -122.1 | -159.2 | -26 | 42 | -26.1 | 0 | 0 | 0 | 111 | ||||
| 1305 | S | 26.9 | Very low | 29 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -172.9 | 122.7 | 139.4 | 23.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1306 | S | 24.7 | Very low | 29.1 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | 38 | 155.5 | 123.7 | -48.9 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1307 | Y | 27.9 | Very low | 28.8 | Very low | 219 Ų | 219 | 136.2 Ų | 136.2 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | 80.2 | 145.9 | 171.9 | -63.2 | -82.5 | 0 | 0 | 0 | 116.6 | ||||
| 1308 | D | 26.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | cis | -133.3 | -152.2 | 5 | -158.8 | 4.7 | 0 | 0 | 0 | 113.9 | ||||
| 1309 | S | 26.4 | Very low | 28.1 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -127.3 | 173.3 | -142.1 | -59.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1310 | Q | 27.2 | Very low | 28.1 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | 99.4 | 103.1 | 152.8 | -51.2 | -158.5 | 17.9 | 0 | 0 | 121.6 | ||||
| 1311 | V | 24.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | 25.9 | 112.7 | 124.4 | -162.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1312 | M | 23.6 | Very low | 27.6 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | 178.7 | 133.6 | 114.4 | -94.6 | -57.3 | 170.3 | 0 | 0 | 113.9 | |||||
| 1313 | Y | 34.9 | Very low | 27.5 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -109.2 | 175.9 | 158.1 | -103.4 | -103.8 | 0 | 0 | 0 | 107.1 | ||||
| 1314 | P | 35.9 | Very low | 27.3 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -143.3 | 149.4 | 15.4 | 37.3 | -16 | 0 | 0 | 0 | 119.3 | ||||
| 1315 | G | 24.7 | Very low | 27.2 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | 83.2 | 133.8 | 110.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1316 | Q | 26.7 | Very low | 27.1 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -165.8 | 112.6 | 135.7 | -103 | -179.1 | 16 | 0 | 0 | 109 | ||||
| 1317 | T | 22.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | 53.8 | 114.3 | 102.4 | 63.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1318 | I | 29.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -114.3 | 133.7 | 151.6 | -70.2 | 178.9 | 0 | 0 | 0 | 107.9 | L839 | L839-I1318 HydrophobicContact CD1-CD1 4.17Š| ||
| 1319 | D | 21.3 | Very low | 27.7 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -93.9 | 150.3 | 173.9 | -166.3 | -5.2 | 0 | 0 | 0 | 109.4 | ||||
| 1320 | C | 26.6 | Very low | 27.7 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -151.2 | 102.5 | 177 | -95.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1321 | S | 23 | Very low | 27.7 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -145.3 | 158.4 | 161.4 | 62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1322 | L | 25.5 | Very low | 28 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 77.6 | 99.8 | 175.6 | -156.9 | 77.6 | 0 | 0 | 0 | 117.4 | ||||
| 1323 | F | 27.4 | Very low | 28.4 | Very low | 211 Ų | 211 | 131.4 Ų | 131.4 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | -144.4 | 141.6 | 125.6 | -104.1 | -74.5 | 0 | 0 | 0 | 109 | |||||
| 1324 | E | 26.6 | Very low | 28 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -154.5 | 169.6 | 178.8 | -123.4 | -166.2 | -146.7 | 0 | 0 | 107.8 | ||||
| 1325 | P | 38.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | -127.7 | 157.2 | -107.2 | 39 | -23.9 | 0 | 0 | 0 | 116.4 | |||||
| 1326 | I | 24.5 | Very low | 28.1 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -159.2 | 145 | 166.7 | 28.4 | 169.9 | 0 | 0 | 0 | 107.8 | ||||
| 1327 | T | 29 | Very low | 28 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | -132.8 | -173.4 | 1.2 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1328 | S | 30.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -139.4 | 151.9 | 146.9 | -55.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1329 | P | 33.3 | Very low | 28 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -143.9 | 145.3 | 122.3 | 36.6 | -23.4 | 0 | 0 | 0 | 115.7 | |||||
| 1330 | S | 25.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 16.7 | 121.8 | 145.6 | -163.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 1331 | G | 28.8 | Very low | 28.3 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | trans | -144.7 | 77.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1332 | S | 29.8 | Very low | 28.5 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -123.1 | 139.4 | 174.5 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1333 | P | 32.5 | Very low | 28.4 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -118.6 | 126.4 | 143.6 | 33.8 | -25.7 | 0 | 0 | 0 | 111.4 | ||||
| 1334 | T | 26.6 | Very low | 28.3 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -85 | -169.2 | 160.9 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1335 | P | 33.1 | Very low | 28.1 | Very low | 103 Ų | 103 | 128 Ų | 128 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | -125 | 176.8 | -60.7 | 36.5 | -22.8 | 0 | 0 | 0 | 111.6 | |||||
| 1336 | N | 28.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | 162 | 125.9 | 138.6 | -82.9 | -21.5 | 0 | 0 | 0 | 107.9 | ||||
| 1337 | S | 24.5 | Very low | 27.6 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | 104.6 | 92.5 | 44.1 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1338 | I | 28.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 130 Ų | 130 | 89% | 0.892 | 74% | 0.743 | S | S | * | * | trans | -132.4 | 135.9 | 146.4 | -67.7 | -174.1 | 0 | 0 | 0 | 106 | ||||
| 1339 | Q | 24.9 | Very low | 27.4 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -97.6 | 151.1 | 175.7 | -65.6 | 168.9 | -101.6 | 0 | 0 | 110.8 | ||||
| 1340 | N | 27.8 | Very low | 27.2 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | 164.6 | 121.5 | 147 | -82.8 | -11.5 | 0 | 0 | 0 | 105.5 | ||||
| 1341 | E | 26.7 | Very low | 27.5 | Very low | 150 Ų | 150 | 131 Ų | 131 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | 56.8 | 123.3 | 57.9 | -63.1 | -159.4 | 155.4 | 0 | 0 | 112.3 | |||||
| 1342 | Y | 26 | Very low | 27.2 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | cis | -135.5 | 173.9 | 14.8 | -109.4 | -79.5 | 0 | 0 | 0 | 113.8 | ||||
| 1343 | S | 23.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -65.7 | 147.1 | -173 | -39.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1344 | N | 25.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | -161.5 | 168.4 | 118 | -122.7 | -41.7 | 0 | 0 | 0 | 113.2 | |||||
| 1345 | E | 23 | Very low | 27 | Very low | 123 Ų | 123 | 138 Ų | 138 | 58% | 0.575 | 72% | 0.724 | S | S | * | * | trans | -82.8 | 148.5 | -167.3 | -34.7 | 131.9 | 124.3 | 0 | 0 | 113.6 | R1820 | E1345-R1820 VanDerWaalsContact O-CZ 3.3Å; E1345-R1820 PolarHBondContact O-NH1 3Å; E1345-R1820 PolarHBondContact O-NH2 2.93Å; E1345-R1820 IonicContact OE2-CZ 3.77Å; E1345-R1820 IonicContact OE2-NH1 2.71Å; E1345-R1820 PolarHBondContact OE2-NH1 3Å | ||
| 1346 | N | 26.6 | Very low | 26.8 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | -175.3 | 122.2 | 120.6 | -98.2 | 24.3 | 0 | 0 | 0 | 112.3 | R1820 | N1346-R1820 PolarHBondContact OD1-NH1 2.75Å; N1346-R1820 VanDerWaalsContact OD1-NH1 3.08Å; N1346-R1820 PolarHBondContact OD1-NH2 2.84Å | |||
| 1347 | E | 25.2 | Very low | 26.9 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | 12.7 | 118.3 | 129.9 | -173.1 | 168 | -131 | 0 | 0 | 118.7 | M1349 | E1347-M1349 HydrophobicContact CG-CB 4.05Š| |||
| 1348 | I | 31.2 | Very low | 27.1 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -104.4 | 90.6 | 150.8 | -60.4 | -179.5 | 0 | 0 | 0 | 107.7 | L1350 | I1348-L1350 HydrophobicContact CG2-CD1 4.11Å; I1348-L1350 HydrophobicContact CG2-CG 4.02Å | ||
| 1349 | M | 24.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 59% | 0.591 | 71% | 0.706 | S | S | * | * | trans | -94.1 | 134.4 | 154 | -174.1 | 177.2 | 66.6 | 0 | 0 | 107.8 | E1347 | E1347-M1349 HydrophobicContact CG-CB 4.05Š| ||
| 1350 | L | 29 | Very low | 27.5 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | -119.1 | 135.8 | 176 | -83.2 | 170.9 | 0 | 0 | 0 | 109.6 | I1348 | I1348-L1350 HydrophobicContact CG2-CD1 4.11Å; I1348-L1350 HydrophobicContact CG2-CG 4.02Å | ||
| 1351 | P | 30.8 | Very low | 27.7 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | -125.2 | 153.4 | -84.5 | 36.6 | -30.7 | 0 | 0 | 0 | 113.4 | |||||
| 1352 | L | 23.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | trans | -79 | 124.9 | 152.7 | -86.2 | 75.9 | 0 | 0 | 0 | 108.2 | ||||
| 1353 | N | 29.4 | Very low | 28.1 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | -113 | 117.7 | 162.9 | 178.1 | 21.3 | 0 | 0 | 0 | 108.4 | ||||
| 1354 | N | 26.1 | Very low | 28.3 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | -168.2 | 109.9 | 155.1 | -104.6 | -11.5 | 0 | 0 | 0 | 109.3 | ||||
| 1355 | N | 28.3 | Very low | 28.5 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | -173.6 | 138.1 | 112.5 | -97.6 | -1.5 | 0 | 0 | 0 | 112.4 | |||||
| 1356 | S | 29.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | trans | -148.6 | 120.2 | 148.2 | -76.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1357 | N | 29.1 | Very low | 28.9 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 49% | 0.492 | 67% | 0.673 | S | S | . | * | trans | -89.4 | 148.1 | -162.3 | -42.3 | -69 | 0 | 0 | 0 | 111.7 | P1513 | N1357-P1513 HydrophobicContact CB-CB 3.72Å; N1357-P1513 HydrophobicContact CB-CG 4.32Å | ||
| 1358 | S | 30.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | -157.1 | 144.7 | 128.5 | -153.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1359 | S | 32.3 | Very low | 28.7 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 49% | 0.49 | 68% | 0.681 | S | S | . | * | trans | -39.9 | 160.6 | 168.7 | -82.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1360 | N | 29.3 | Very low | 28.9 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 65% | 0.652 | 70% | 0.696 | S | S | * | * | cis | -164.1 | 153 | 11.3 | -117.1 | 3.5 | 0 | 0 | 0 | 112.8 | ||||
| 1361 | N | 31.2 | Very low | 28.9 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 65% | 0.647 | 70% | 0.699 | S | S | * | * | trans | 61.9 | 149.3 | 144.6 | -60.9 | -3.9 | 0 | 0 | 0 | 120.7 | ||||
| 1362 | N | 29.1 | Very low | 29 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 48% | 0.476 | 71% | 0.705 | S | S | . | * | cis | -172.9 | 145 | -13.5 | -105.9 | -11.9 | 0 | 0 | 0 | 110.7 | E1506 Y1507 L1508 | N1362-E1506 VanDerWaalsContact O-O 3.11Å; N1362-Y1507 CarbonylContact C-O 3.57Å; N1362-Y1507 VanDerWaalsContact C-O 3.29Å; N1362-L1508 CarbonylContact C-O 3.54Å | ||
| 1363 | N | 32.2 | Very low | 29.6 | Very low | 81 Ų | 81 | 123 Ų | 123 | 43% | 0.433 | 69% | 0.69 | S | S | . | * | B | Isolated β-bridge | trans | 146.8 | 92.6 | 134.2 | -77.1 | -30.2 | 0 | 0 | 0 | 115.5 | Y1507 L1508 | N1363-Y1507 VanDerWaalsContact C-C 3.48Å; N1363-Y1507 PolarHBondContact N-O 3.08Å; N1363-Y1507 CarbonylContact O-C 3.56Å; N1363-Y1507 WeakPolarHBondContact O-CA 3.5Å; N1363-Y1507 PolarHBondContact O-N 3.38Å; N1363-L1508 PolarHBondContact N-O 3.38Å; N1363-L1508 PolarHBondContact O-N 3.16Å |
| 1364 | N | 28.6 | Very low | 30.6 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 54% | 0.535 | 69% | 0.691 | S | S | . | * | trans | 15.9 | 126.2 | 142 | -47.5 | -35.4 | 0 | 0 | 0 | 118.4 | ||||
| 1365 | N | 28.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 62% | 0.62 | 66% | 0.66 | S | S | * | * | -174.8 | 161.9 | 71.6 | -98.8 | -46.1 | 0 | 0 | 0 | 114.5 | |||||
| 1366 | N | 27.4 | Very low | 33.8 | Very low | 130 Ų | 130 | 120 Ų | 120 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | 50.8 | 111.7 | 153.9 | -58.9 | -18 | 0 | 0 | 0 | 118.4 | ||||
| 1367 | N | 30.9 | Very low | 36 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | -152.5 | 118.8 | 71.1 | -93 | -39.8 | 0 | 0 | 0 | 113.7 | N1369 | N1367-N1369 PolarHBondContact O-N 2.88Š| |||
| 1368 | N | 24.7 | Very low | 38.2 | Very low | 172 Ų | 172 | 114.4 Ų | 114.4 | 92% | 0.92 | 63% | 0.626 | S | S | * | * | trans | -77.1 | 100.6 | 162.1 | -90.8 | -28 | 0 | 0 | 0 | 109.4 | ||||
| 1369 | N | 28.5 | Very low | 40.6 | Very low | 146 Ų | 146 | 113.3 Ų | 113.3 | 78% | 0.781 | 61% | 0.614 | S | S | * | * | trans | -129.3 | 104.8 | 165.5 | -133.8 | -9.1 | 0 | 0 | 0 | 108.6 | N1367 N1371 | N1367-N1369 PolarHBondContact O-N 2.88Å; N1369-N1371 PolarHBondContact O-N 2.91Å; N1369-N1371 VanDerWaalsContact O-N 3.07Å | ||
| 1370 | Q | 28.6 | Very low | 43.1 | Very low | 195 Ų | 195 | 112.7 Ų | 112.7 | 91% | 0.911 | 61% | 0.61 | S | S | * | * | trans | -70.4 | 105.1 | 177.4 | -77.6 | -170 | -19.6 | 0 | 0 | 109.4 | S1372 | Q1370-S1372 PolarHBondContact O-N 3.42Š| ||
| 1371 | N | 29.2 | Very low | 45.6 | Very low | 157 Ų | 157 | 114.6 Ų | 114.6 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | trans | -62.9 | 99.4 | 169.4 | -88 | -25.8 | 0 | 0 | 0 | 109.7 | N1369 S1373 | N1369-N1371 PolarHBondContact O-N 2.91Å; N1369-N1371 VanDerWaalsContact O-N 3.07Å; N1371-S1373 PolarHBondContact O-N 2.73Å; N1371-S1373 VanDerWaalsContact O-N 3.08Å | ||
| 1372 | S | 32.2 | Very low | 48.3 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | trans | -57.8 | 112.8 | 162.9 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | Q1370 V1374 | Q1370-S1372 PolarHBondContact O-N 3.42Å; S1372-V1374 VanDerWaalsContact C-N 3.31Å; S1372-V1374 PolarHBondContact O-N 3.32Å | ||
| 1373 | S | 36.8 | Very low | 51.3 | Low | 76 Ų | 76 | 110 Ų | 110 | 53% | 0.531 | 58% | 0.583 | S | S | . | * | trans | -73.4 | 82.4 | -170.9 | 56 | 0 | 0 | 0 | 0 | 111.4 | N1371 Y1375 | N1371-S1373 PolarHBondContact O-N 2.73Å; N1371-S1373 VanDerWaalsContact O-N 3.08Å; S1373-Y1375 PolarHBondContact O-N 3.27Å | ||
| 1374 | V | 50.5 | Low | 53.9 | Low | 128 Ų | 128 | 110.9 Ų | 110.9 | 78% | 0.776 | 59% | 0.585 | S | S | * | * | trans | -67.3 | 86.3 | 170.6 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | S1372 Q1376 | S1372-V1374 VanDerWaalsContact C-N 3.31Å; S1372-V1374 PolarHBondContact O-N 3.32Å; V1374-Q1376 PolarHBondContact O-N 3.09Å | ||
| 1375 | Y | 59.1 | Low | 56.9 | Low | 37 Ų | 37 | 111.5 Ų | 111.5 | 15% | 0.145 | 59% | 0.585 | C | S | . | * | trans | -43.2 | 103.5 | -177 | -178.6 | -91.7 | 0 | 0 | 0 | 112.3 | S1373 R1377 W1455 E1458 M1464 | S1373-Y1375 PolarHBondContact O-N 3.27Å; Y1375-R1377 PolarHBondContact O-N 3.13Å; Y1375-R1377 VanDerWaalsContact O-N 3.07Å; Y1375-W1455 AromaticContact CZ-CD1 3.84Å; Y1375-E1458 WeakPolarHBondContact CE2-OE1 3.4Å; Y1375-E1458 WeakPolarHBondContact CE2-OE2 3.46Å; Y1375-E1458 PolarHBondContact OH-OE1 3.13Å; Y1375-M1464 VanDerWaalsContact CB-CG 3.4Å; Y1375-M1464 HydrophobicContact CD1-CE 3.52Å; Y1375-M1464 HydrophobicContact CD1-SD 3.63Å; Y1375-M1464 HydrophobicContact CD2-CE 3.39Å; Y1375-M1464 HydrophobicContact CD2-SD 4.25Å; Y1375-M1464 HydrophobicContact CE1-CE 3.79Å; Y1375-M1464 HydrophobicContact CE1-SD 4.36Å; Y1375-M1464 HydrophobicContact CE2-CE 3.63Å; Y1375-M1464 HydrophobicContact CG-CB 4.44Å; Y1375-M1464 HydrophobicContact CG-CE 3.35Å; Y1375-M1464 HydrophobicContact CG-CG 3.95Å; Y1375-M1464 HydrophobicContact CG-SD 3.6Å | ||
| 1376 | Q | 62.6 | Low | 59.8 | Low | 185 Ų | 185 | 108 Ų | 108 | 86% | 0.864 | 57% | 0.566 | S | S | * | * | trans | -87.2 | 93.7 | -171.9 | -165.1 | 158.6 | 7.8 | 0 | 0 | 110.6 | V1374 | V1374-Q1376 PolarHBondContact O-N 3.09Š| ||
| 1377 | R | 74.8 | Confident | 62.9 | Low | 77 Ų | 77 | 101.8 Ų | 101.8 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | trans | -36.6 | 123.9 | -177.4 | -164.8 | 166.4 | -167 | -108.9 | -28.6 | 114.1 | Y1375 T1379 V1419 V1420 L1421 R1451 | Y1375-R1377 PolarHBondContact O-N 3.13Å; Y1375-R1377 VanDerWaalsContact O-N 3.07Å; R1377-T1379 PolarHBondContact O-N 3.06Å; R1377-V1419 WeakPolarHBondContact CD-O 3.49Å; R1377-V1419 PolarHBondContact NE-O 2.65Å; R1377-V1420 VanDerWaalsContact CZ-O 3.28Å; R1377-V1420 PolarHBondContact NE-O 2.9Å; R1377-V1420 PolarHBondContact NH2-O 3.29Å; R1377-L1421 PolarHBondContact NH2-O 3.46Å; R1377-R1451 VanDerWaalsContact NH2-CZ 3.35Å | ||
| 1378 | P | 76 | Confident | 65.7 | Low | 24 Ų | 24 | 98.3 Ų | 98.3 | 16% | 0.156 | 52% | 0.517 | C | S | . | . | trans | -50.9 | 133.2 | -173 | -32.4 | 35.8 | 0 | 0 | 0 | 115.1 | V1383 L1454 | P1378-V1383 HydrophobicContact CB-CG2 3.74Å; P1378-L1454 HydrophobicContact CB-CD1 3.84Å; P1378-L1454 HydrophobicContact CG-CB 4.36Å; P1378-L1454 HydrophobicContact CG-CD1 4.07Å | ||
| 1379 | T | 81 | Confident | 68.8 | Low | 92 Ų | 92 | 93.8 Ų | 93.8 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | trans | -61.1 | 146.1 | -171.4 | 68 | 0 | 0 | 0 | 0 | 112.5 | R1377 K1381 K1382 V1383 | R1377-T1379 PolarHBondContact O-N 3.06Å; T1379-K1381 PolarHBondContact O-N 3.2Å; T1379-K1382 PolarHBondContact O-N 3.06Å; T1379-V1383 WeakPolarHBondContact O-CG2 3.41Å; T1379-V1383 PolarHBondContact O-N 2.88Å | ||
| 1380 | S | 83 | Confident | 71.6 | Confident | 58 Ų | 58 | 88.5 Ų | 88.5 | 41% | 0.406 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -35.3 | -175.2 | -147.3 | 0 | 0 | 0 | 0 | 112.4 | Q1191 M1384 | Q1191-S1380 PolarHBondContact O-OG 3.27Å; S1380-M1384 VanDerWaalsContact O-CB 3.31Å; S1380-M1384 WeakPolarHBondContact O-CB 3.42Å; S1380-M1384 PolarHBondContact O-N 3.44Å |
| 1381 | K | 81.9 | Confident | 74.2 | Confident | 161 Ų | 161 | 85.3 Ų | 85.3 | 70% | 0.7 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.7 | -59 | 173.9 | -172.1 | -176.4 | 174.5 | -171.8 | 0 | 111.3 | T1379 V1383 M1384 E1385 | T1379-K1381 PolarHBondContact O-N 3.2Å; K1381-V1383 VanDerWaalsContact C-N 3.25Å; K1381-V1383 PolarHBondContact O-N 3.47Å; K1381-M1384 PolarHBondContact O-N 3.34Å; K1381-E1385 VanDerWaalsContact O-CB 3.27Å; K1381-E1385 WeakPolarHBondContact O-CB 3.32Å; K1381-E1385 PolarHBondContact O-N 3.39Å |
| 1382 | K | 88.9 | Confident | 76.8 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 50% | 0.496 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.4 | -40.1 | -179 | -176.6 | 174.1 | -179.7 | 178.5 | 0 | 112.1 | T1379 L1386 | T1379-K1382 PolarHBondContact O-N 3.06Å; K1382-L1386 HydrophobicContact CG-CD1 3.99Å; K1382-L1386 WeakPolarHBondContact O-CB 3.34Å; K1382-L1386 WeakPolarHBondContact O-CG 3.26Å; K1382-L1386 PolarHBondContact O-N 3.05Å |
| 1383 | V | 91.1 | Very high | 79.6 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | P1378 T1379 K1381 A1387 I1447 V1450 R1451 L1454 | P1378-V1383 HydrophobicContact CB-CG2 3.74Å; T1379-V1383 WeakPolarHBondContact O-CG2 3.41Å; T1379-V1383 PolarHBondContact O-N 2.88Å; K1381-V1383 VanDerWaalsContact C-N 3.25Å; K1381-V1383 PolarHBondContact O-N 3.47Å; V1383-A1387 VanDerWaalsContact O-CB 3.26Å; V1383-A1387 WeakPolarHBondContact O-CB 3.45Å; V1383-A1387 PolarHBondContact O-N 3.16Å; V1383-I1447 HydrophobicContact CG1-CB 4.37Å; V1383-I1447 HydrophobicContact CG1-CG1 4.5Å; V1383-I1447 HydrophobicContact CG1-CG2 3.88Å; V1383-V1450 HydrophobicContact CB-CG1 4.47Å; V1383-V1450 HydrophobicContact CG1-CB 4.19Å; V1383-V1450 HydrophobicContact CG1-CG1 4.04Å; V1383-R1451 HydrophobicContact CG1-CG 3.9Å; V1383-R1451 HydrophobicContact CG2-CG 4.01Å; V1383-L1454 HydrophobicContact CG2-CD1 4.13Å |
| 1384 | M | 88.2 | Confident | 82.3 | Confident | 98 Ų | 98 | 81 Ų | 81 | 48% | 0.483 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -78.1 | -34.2 | 179.5 | -174.8 | 161.1 | -75.6 | 0 | 0 | 112.8 | S1380 K1381 A1387 T1388 I1447 | S1380-M1384 VanDerWaalsContact O-CB 3.31Å; S1380-M1384 WeakPolarHBondContact O-CB 3.42Å; S1380-M1384 PolarHBondContact O-N 3.44Å; K1381-M1384 PolarHBondContact O-N 3.34Å; M1384-A1387 PolarHBondContact O-N 3.24Å; M1384-T1388 PolarHBondContact O-N 3.45Å; M1384-T1388 PolarHBondContact O-OG1 3.42Å; M1384-I1447 HydrophobicContact CE-CD1 3.79Å |
| 1385 | E | 90.1 | Very high | 84.4 | Confident | 113 Ų | 113 | 75 Ų | 75 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61 | -55 | 171.7 | -170 | 171.9 | 160.2 | 0 | 0 | 110 | K1381 A1387 T1388 S1389 | K1381-E1385 VanDerWaalsContact O-CB 3.27Å; K1381-E1385 WeakPolarHBondContact O-CB 3.32Å; K1381-E1385 PolarHBondContact O-N 3.39Å; E1385-A1387 VanDerWaalsContact C-N 3.32Å; E1385-A1387 PolarHBondContact O-N 2.92Å; E1385-T1388 CarbonylContact O-C 3.58Å; E1385-T1388 WeakPolarHBondContact O-CA 3.33Å; E1385-T1388 WeakPolarHBondContact O-CB 3.4Å; E1385-T1388 PolarHBondContact O-N 3.17Å; E1385-S1389 PolarHBondContact O-N 3.2Å; E1385-S1389 PolarHBondContact O-OG 2.75Å |
| 1386 | L | 91.3 | Very high | 86.1 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -32.2 | 174.8 | -72.9 | 169.3 | 0 | 0 | 0 | 113.7 | K1382 T1388 S1389 L1390 V1450 L1454 | K1382-L1386 HydrophobicContact CG-CD1 3.99Å; K1382-L1386 WeakPolarHBondContact O-CB 3.34Å; K1382-L1386 WeakPolarHBondContact O-CG 3.26Å; K1382-L1386 PolarHBondContact O-N 3.05Å; L1386-T1388 PolarHBondContact O-N 3.37Å; L1386-T1388 VanDerWaalsContact O-N 3.16Å; L1386-S1389 PolarHBondContact O-N 3.08Å; L1386-L1390 HydrophobicContact CB-CD1 4.1Å; L1386-L1390 HydrophobicContact CD2-CD1 4.46Å; L1386-L1390 HydrophobicContact CD2-CG 4.33Å; L1386-L1390 VanDerWaalsContact O-CB 3.28Å; L1386-L1390 WeakPolarHBondContact O-CB 3.32Å; L1386-L1390 WeakPolarHBondContact O-CG 3.28Å; L1386-L1390 PolarHBondContact O-N 2.77Å; L1386-V1450 HydrophobicContact CB-CG1 3.66Å; L1386-V1450 HydrophobicContact CD1-CG1 4.27Å; L1386-L1454 HydrophobicContact CD1-CD1 4.03Å; L1386-L1454 HydrophobicContact CD1-CD2 3.84Å; L1386-L1454 HydrophobicContact CD1-CG 4.23Å |
| 1387 | A | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -15 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1383 M1384 E1385 R1446 V1450 | V1383-A1387 VanDerWaalsContact O-CB 3.26Å; V1383-A1387 WeakPolarHBondContact O-CB 3.45Å; V1383-A1387 PolarHBondContact O-N 3.16Å; M1384-A1387 PolarHBondContact O-N 3.24Å; E1385-A1387 VanDerWaalsContact C-N 3.32Å; E1385-A1387 PolarHBondContact O-N 2.92Å; A1387-R1446 HydrophobicContact CB-CB 3.93Å; A1387-R1446 WeakPolarHBondContact O-CD 3.19Å; A1387-R1446 PolarHBondContact O-NH1 3.25Å; A1387-V1450 HydrophobicContact CB-CG2 3.91Å |
| 1388 | T | 89.5 | Confident | 88.6 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -106.7 | -33.8 | 179.7 | -50 | 0 | 0 | 0 | 0 | 111.9 | M1384 E1385 L1386 N1443 | M1384-T1388 PolarHBondContact O-N 3.45Å; M1384-T1388 PolarHBondContact O-OG1 3.42Å; E1385-T1388 CarbonylContact O-C 3.58Å; E1385-T1388 WeakPolarHBondContact O-CA 3.33Å; E1385-T1388 WeakPolarHBondContact O-CB 3.4Å; E1385-T1388 PolarHBondContact O-N 3.17Å; L1386-T1388 PolarHBondContact O-N 3.37Å; L1386-T1388 VanDerWaalsContact O-N 3.16Å; T1388-N1443 PolarHBondContact OG1-ND2 2.97Å |
| 1389 | S | 89.2 | Confident | 89.5 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 53% | 0.531 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -94.1 | -22.4 | -177.4 | 62.2 | 0 | 0 | 0 | 0 | 115.9 | E1385 L1386 T1391 | E1385-S1389 PolarHBondContact O-N 3.2Å; E1385-S1389 PolarHBondContact O-OG 2.75Å; L1386-S1389 PolarHBondContact O-N 3.08Å; S1389-T1391 PolarHBondContact O-N 3.38Å; S1389-T1391 VanDerWaalsContact O-N 3.14Å |
| 1390 | L | 88.3 | Confident | 90.2 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 18% | 0.183 | 35% | 0.353 | C | S | . | . | trans | -67.7 | 112.3 | 171.7 | -76.9 | 163.8 | 0 | 0 | 0 | 109.3 | L1386 W1438 V1450 | L1386-L1390 HydrophobicContact CB-CD1 4.1Å; L1386-L1390 HydrophobicContact CD2-CD1 4.46Å; L1386-L1390 HydrophobicContact CD2-CG 4.33Å; L1386-L1390 VanDerWaalsContact O-CB 3.28Å; L1386-L1390 WeakPolarHBondContact O-CB 3.32Å; L1386-L1390 WeakPolarHBondContact O-CG 3.28Å; L1386-L1390 PolarHBondContact O-N 2.77Å; L1390-W1438 HydrophobicContact CB-CH2 4.1Å; L1390-W1438 HydrophobicContact CB-CZ2 3.55Å; L1390-W1438 HydrophobicContact CD1-CH2 4.34Å; L1390-W1438 VanDerWaalsContact O-CZ2 3.3Å; L1390-W1438 WeakPolarHBondContact O-CZ2 3.42Å; L1390-W1438 PolarHBondContact O-NE1 3.37Å; L1390-V1450 HydrophobicContact CD1-CG2 4.21Å | ||
| 1391 | T | 82.4 | Confident | 90.8 | Very high | 128 Ų | 128 | 65.5 Ų | 65.5 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | trans | -68.8 | -58.5 | -176.7 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | S1389 W1438 | S1389-T1391 PolarHBondContact O-N 3.38Å; S1389-T1391 VanDerWaalsContact O-N 3.14Å; T1391-W1438 PolarHBondContact O-NE1 2.9Å | ||
| 1392 | D | 83.7 | Confident | 91.5 | Very high | 126 Ų | 126 | 57.8 Ų | 57.8 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | trans | -132.9 | 142.4 | 172.8 | -94.3 | -53.2 | 0 | 0 | 0 | 112.7 | ||||
| 1393 | L | 90.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | trans | -142.6 | 122.3 | 178.9 | -174 | 77.9 | 0 | 0 | 0 | 108.5 | T1395 M1398 W1438 H1453 | L1393-T1395 VanDerWaalsContact C-N 3.28Å; L1393-T1395 HydrophobicContact CD2-CG2 4.47Å; L1393-T1395 PolarHBondContact O-N 2.86Å; L1393-M1398 HydrophobicContact CD2-CE 4.14Å; L1393-M1398 HydrophobicContact CD2-SD 4.03Å; L1393-W1438 HydrophobicContact CB-CD2 3.77Å; L1393-W1438 HydrophobicContact CB-CE3 3.78Å; L1393-W1438 HydrophobicContact CB-CG 4.12Å; L1393-W1438 HydrophobicContact CB-CZ3 4.2Å; L1393-W1438 HydrophobicContact CD2-CE3 3.81Å; L1393-W1438 HydrophobicContact CD2-CH2 4.31Å; L1393-W1438 HydrophobicContact CD2-CZ3 3.62Å; L1393-W1438 HydrophobicContact CG-CE3 4.42Å; L1393-W1438 WeakPolarHBondContact O-CB 3.24Å; L1393-H1453 HydrophobicContact CD1-CB 4.19Å; L1393-H1453 HydrophobicContact CD2-CB 4.22Å | ||
| 1394 | D | 94.5 | Very high | 92 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 54% | 0.535 | 34% | 0.341 | S | S | . | . | trans | -73.1 | 87.1 | 174.3 | -175.5 | -6.9 | 0 | 0 | 0 | 110.9 | A1396 S1397 M1398 | D1394-A1396 PolarHBondContact O-N 3.32Å; D1394-A1396 WeakPolarHBondContact OD1-CA 3.21Å; D1394-A1396 WeakPolarHBondContact OD1-CB 3.5Å; D1394-A1396 PolarHBondContact OD1-N 2.85Å; D1394-S1397 PolarHBondContact OD1-N 2.71Å; D1394-S1397 WeakPolarHBondContact OD2-CB 3.39Å; D1394-M1398 WeakPolarHBondContact O-CB 3.49Å; D1394-M1398 PolarHBondContact O-N 3.31Å | ||
| 1395 | T | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -23.8 | 175.7 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | L1393 C1399 R1436 P1437 W1438 L1441 Y1449 | L1393-T1395 VanDerWaalsContact C-N 3.28Å; L1393-T1395 HydrophobicContact CD2-CG2 4.47Å; L1393-T1395 PolarHBondContact O-N 2.86Å; T1395-C1399 VanDerWaalsContact O-CB 3.23Å; T1395-C1399 WeakPolarHBondContact O-CB 3.45Å; T1395-C1399 PolarHBondContact O-N 3.12Å; T1395-C1399 PolarHBondContact O-SG 2.95Å; T1395-R1436 WeakPolarHBondContact CB-O 3.49Å; T1395-R1436 PolarHBondContact OG1-O 3.27Å; T1395-P1437 WeakPolarHBondContact OG1-CA 3.48Å; T1395-W1438 HydrophobicContact CG2-CB 4.19Å; T1395-W1438 HydrophobicContact CG2-CE3 3.99Å; T1395-L1441 HydrophobicContact CG2-CD1 4.12Å; T1395-Y1449 HydrophobicContact CG2-CD1 3.48Å; T1395-Y1449 VanDerWaalsContact CG2-CD1 3.48Å; T1395-Y1449 HydrophobicContact CG2-CE1 3.91Å; T1395-Y1449 HydrophobicContact CG2-CG 3.87Å |
| 1396 | A | 93.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 53 Ų | 53 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82.1 | -52.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1394 M1398 C1399 G1400 | D1394-A1396 PolarHBondContact O-N 3.32Å; D1394-A1396 WeakPolarHBondContact OD1-CA 3.21Å; D1394-A1396 WeakPolarHBondContact OD1-CB 3.5Å; D1394-A1396 PolarHBondContact OD1-N 2.85Å; A1396-M1398 VanDerWaalsContact C-N 3.34Å; A1396-M1398 PolarHBondContact O-N 3.47Å; A1396-C1399 PolarHBondContact O-N 2.96Å; A1396-G1400 PolarHBondContact O-N 3.15Å |
| 1397 | S | 94.5 | Very high | 92.7 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 173.6 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | D1394 G1400 K1401 | D1394-S1397 PolarHBondContact OD1-N 2.71Å; D1394-S1397 WeakPolarHBondContact OD2-CB 3.39Å; S1397-G1400 PolarHBondContact O-N 2.8Å; S1397-K1401 WeakPolarHBondContact O-CG 3.35Å; S1397-K1401 PolarHBondContact O-N 3.33Å |
| 1398 | M | 95.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -52.2 | 177.4 | -173.3 | -170.7 | 62.5 | 0 | 0 | 112.2 | L1393 D1394 A1396 G1400 K1401 I1402 Y1449 L1452 H1453 L1456 | L1393-M1398 HydrophobicContact CD2-CE 4.14Å; L1393-M1398 HydrophobicContact CD2-SD 4.03Å; D1394-M1398 WeakPolarHBondContact O-CB 3.49Å; D1394-M1398 PolarHBondContact O-N 3.31Å; A1396-M1398 VanDerWaalsContact C-N 3.34Å; A1396-M1398 PolarHBondContact O-N 3.47Å; M1398-G1400 VanDerWaalsContact C-N 3.28Å; M1398-G1400 PolarHBondContact O-N 3.25Å; M1398-K1401 PolarHBondContact O-N 3.23Å; M1398-I1402 HydrophobicContact CG-CD1 4.18Å; M1398-I1402 VanDerWaalsContact O-CG1 3.29Å; M1398-I1402 WeakPolarHBondContact O-CG1 3.38Å; M1398-I1402 PolarHBondContact O-N 3.37Å; M1398-I1402 VanDerWaalsContact O-N 3.09Å; M1398-Y1449 HydrophobicContact CE-CD1 3.73Å; M1398-Y1449 HydrophobicContact CE-CG 4.3Å; M1398-Y1449 WeakPolarHBondContact CE-O 3.42Å; M1398-L1452 HydrophobicContact CE-CB 3.57Å; M1398-L1452 HydrophobicContact CE-CD1 3.92Å; M1398-L1452 HydrophobicContact CE-CG 4.38Å; M1398-L1452 HydrophobicContact SD-CB 3.83Å; M1398-H1453 VanDerWaalsContact SD-CA 3.59Å; M1398-H1453 HydrophobicContact SD-CB 3.71Å; M1398-H1453 PolarHBondContact SD-N 3.33Å; M1398-H1453 VanDerWaalsContact SD-N 3.42Å; M1398-L1456 HydrophobicContact CG-CD1 3.56Å |
| 1399 | C | 96.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -29 | 177.6 | -75.3 | 0 | 0 | 0 | 0 | 112.8 | T1395 A1396 K1403 L1432 T1435 L1452 | T1395-C1399 VanDerWaalsContact O-CB 3.23Å; T1395-C1399 WeakPolarHBondContact O-CB 3.45Å; T1395-C1399 PolarHBondContact O-N 3.12Å; T1395-C1399 PolarHBondContact O-SG 2.95Å; A1396-C1399 PolarHBondContact O-N 2.96Å; C1399-K1403 WeakPolarHBondContact O-CB 3.42Å; C1399-K1403 PolarHBondContact O-N 2.9Å; C1399-L1432 HydrophobicContact CB-CD2 3.81Å; C1399-T1435 HydrophobicContact CB-CG2 3.33Å; C1399-L1452 WeakPolarHBondContact SG-CD1 3.35Å |
| 1400 | G | 95.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -57.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1396 S1397 M1398 I1402 K1403 E1404 | A1396-G1400 PolarHBondContact O-N 3.15Å; S1397-G1400 PolarHBondContact O-N 2.8Å; M1398-G1400 VanDerWaalsContact C-N 3.28Å; M1398-G1400 PolarHBondContact O-N 3.25Å; G1400-I1402 VanDerWaalsContact C-N 3.28Å; G1400-I1402 PolarHBondContact O-N 3.08Å; G1400-K1403 WeakPolarHBondContact O-CB 3.36Å; G1400-K1403 PolarHBondContact O-N 3.38Å; G1400-K1403 VanDerWaalsContact O-N 3.16Å; G1400-E1404 WeakPolarHBondContact O-CB 3.47Å; G1400-E1404 PolarHBondContact O-N 3.25Å |
| 1401 | K | 95.6 | Very high | 93.4 | Very high | 121 Ų | 121 | 63.4 Ų | 63.4 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.9 | -42.4 | 177 | -69.7 | 176.4 | -177.9 | -174.7 | 0 | 112.4 | S1397 M1398 E1404 L1405 | S1397-K1401 WeakPolarHBondContact O-CG 3.35Å; S1397-K1401 PolarHBondContact O-N 3.33Å; M1398-K1401 PolarHBondContact O-N 3.23Å; K1401-E1404 PolarHBondContact O-N 2.93Å; K1401-L1405 WeakPolarHBondContact O-CB 3.33Å; K1401-L1405 WeakPolarHBondContact O-CG 3.49Å; K1401-L1405 PolarHBondContact O-N 3.43Å |
| 1402 | I | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | -180 | -64.9 | 176.8 | 0 | 0 | 0 | 111.6 | M1398 G1400 E1404 L1405 L1406 F1416 L1432 L1452 W1455 L1456 | M1398-I1402 HydrophobicContact CG-CD1 4.18Å; M1398-I1402 VanDerWaalsContact O-CG1 3.29Å; M1398-I1402 WeakPolarHBondContact O-CG1 3.38Å; M1398-I1402 PolarHBondContact O-N 3.37Å; M1398-I1402 VanDerWaalsContact O-N 3.09Å; G1400-I1402 VanDerWaalsContact C-N 3.28Å; G1400-I1402 PolarHBondContact O-N 3.08Å; I1402-E1404 VanDerWaalsContact C-N 3.29Å; I1402-E1404 PolarHBondContact O-N 2.87Å; I1402-L1405 PolarHBondContact O-N 3.19Å; I1402-L1406 HydrophobicContact CG2-CD1 3.98Å; I1402-L1406 HydrophobicContact CG2-CG 4.37Å; I1402-L1406 WeakPolarHBondContact O-CB 3.25Å; I1402-L1406 WeakPolarHBondContact O-CG 3.24Å; I1402-L1406 PolarHBondContact O-N 3.47Å; I1402-F1416 HydrophobicContact CG2-CE1 3.86Å; I1402-F1416 HydrophobicContact CG2-CE2 4.26Å; I1402-F1416 HydrophobicContact CG2-CZ 3.54Å; I1402-L1432 HydrophobicContact CB-CD2 4.44Å; I1402-L1432 HydrophobicContact CG2-CD2 4.22Å; I1402-L1452 HydrophobicContact CD1-CB 3.54Å; I1402-L1452 HydrophobicContact CD1-CD1 4.27Å; I1402-L1452 HydrophobicContact CD1-CD2 3.67Å; I1402-L1452 HydrophobicContact CD1-CG 4Å; I1402-L1452 HydrophobicContact CG2-CD2 4.38Å; I1402-W1455 HydrophobicContact CB-CZ3 4.46Å; I1402-W1455 HydrophobicContact CD1-CE3 4.16Å; I1402-W1455 HydrophobicContact CD1-CZ3 4.36Å; I1402-W1455 HydrophobicContact CG1-CE3 4.24Å; I1402-W1455 HydrophobicContact CG1-CZ3 3.96Å; I1402-W1455 HydrophobicContact CG2-CZ3 4Å; I1402-L1456 HydrophobicContact CD1-CD1 3.73Å; I1402-L1456 HydrophobicContact CD1-CD2 4.42Å; I1402-L1456 HydrophobicContact CD1-CG 3.81Å; I1402-L1456 HydrophobicContact CG1-CD1 3.72Å; I1402-L1456 HydrophobicContact CG1-CD2 3.83Å; I1402-L1456 HydrophobicContact CG1-CG 3.77Å |
| 1403 | K | 95.8 | Very high | 94.4 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 40% | 0.4 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.6 | -178.3 | -176.9 | 176.3 | -173.1 | 0 | 111 | C1399 G1400 Q1407 | C1399-K1403 WeakPolarHBondContact O-CB 3.42Å; C1399-K1403 PolarHBondContact O-N 2.9Å; G1400-K1403 WeakPolarHBondContact O-CB 3.36Å; G1400-K1403 PolarHBondContact O-N 3.38Å; G1400-K1403 VanDerWaalsContact O-N 3.16Å; K1403-Q1407 WeakPolarHBondContact O-CG 3.5Å; K1403-Q1407 PolarHBondContact O-N 2.78Å |
| 1404 | E | 94.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 175.7 | -165.9 | -168.1 | 133 | 0 | 0 | 112.2 | G1400 K1401 I1402 L1406 Q1407 R1408 | G1400-E1404 WeakPolarHBondContact O-CB 3.47Å; G1400-E1404 PolarHBondContact O-N 3.25Å; K1401-E1404 PolarHBondContact O-N 2.93Å; I1402-E1404 VanDerWaalsContact C-N 3.29Å; I1402-E1404 PolarHBondContact O-N 2.87Å; E1404-L1406 PolarHBondContact O-N 3.37Å; E1404-Q1407 PolarHBondContact O-N 3.49Å; E1404-R1408 VanDerWaalsContact O-CB 3.31Å; E1404-R1408 WeakPolarHBondContact O-CB 3.32Å; E1404-R1408 PolarHBondContact O-N 2.89Å; E1404-R1408 IonicContact OE1-CZ 2.65Å; E1404-R1408 IonicContact OE1-NH1 3.67Å; E1404-R1408 PolarHBondContact OE1-NH1 3.22Å; E1404-R1408 IonicContact OE1-NH2 2.67Å; E1404-R1408 PolarHBondContact OE1-NH2 2.99Å |
| 1405 | L | 94.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 175.1 | -79.3 | 164.5 | 0 | 0 | 0 | 112.1 | K1401 I1402 Q1407 R1408 H1409 W1455 L1456 | K1401-L1405 WeakPolarHBondContact O-CB 3.33Å; K1401-L1405 WeakPolarHBondContact O-CG 3.49Å; K1401-L1405 PolarHBondContact O-N 3.43Å; I1402-L1405 PolarHBondContact O-N 3.19Å; L1405-Q1407 VanDerWaalsContact C-N 3.31Å; L1405-Q1407 PolarHBondContact O-N 3.24Å; L1405-R1408 PolarHBondContact O-N 2.92Å; L1405-H1409 PolarHBondContact O-CD2 2.94Å; L1405-H1409 VanDerWaalsContact O-CD2 3.24Å; L1405-H1409 PolarHBondContact O-N 3.46Å; L1405-W1455 HydrophobicContact CD1-CZ3 4.48Å; L1405-L1456 HydrophobicContact CD1-CD2 3.74Å |
| 1406 | L | 95.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 178.4 | -68.8 | 173.2 | 0 | 0 | 0 | 112.3 | I1402 E1404 S1410 I1411 Q1413 F1416 L1432 | I1402-L1406 HydrophobicContact CG2-CD1 3.98Å; I1402-L1406 HydrophobicContact CG2-CG 4.37Å; I1402-L1406 WeakPolarHBondContact O-CB 3.25Å; I1402-L1406 WeakPolarHBondContact O-CG 3.24Å; I1402-L1406 PolarHBondContact O-N 3.47Å; E1404-L1406 PolarHBondContact O-N 3.37Å; L1406-S1410 PolarHBondContact O-N 3.47Å; L1406-I1411 HydrophobicContact CD2-CB 3.73Å; L1406-I1411 HydrophobicContact CD2-CD1 4.47Å; L1406-I1411 HydrophobicContact CD2-CG2 3.64Å; L1406-I1411 PolarHBondContact O-N 3.43Å; L1406-Q1413 HydrophobicContact CD1-CG 4.35Å; L1406-F1416 HydrophobicContact CD1-CB 4.22Å; L1406-F1416 HydrophobicContact CD1-CD1 3.7Å; L1406-F1416 HydrophobicContact CD1-CD2 4.36Å; L1406-F1416 HydrophobicContact CD1-CE1 4.1Å; L1406-F1416 HydrophobicContact CD1-CG 3.84Å; L1406-F1416 HydrophobicContact CD2-CB 3.8Å; L1406-F1416 HydrophobicContact CD2-CD2 3.83Å; L1406-F1416 HydrophobicContact CD2-CG 3.81Å; L1406-F1416 HydrophobicContact CG-CG 4.44Å; L1406-L1432 HydrophobicContact CD1-CD1 3.98Å |
| 1407 | Q | 94.2 | Very high | 94.6 | Very high | 137 Ų | 137 | 53.1 Ų | 53.1 | 64% | 0.64 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -72 | -51.4 | 174.2 | -72.7 | -177 | -81 | 0 | 0 | 111.8 | K1403 E1404 L1405 H1409 S1410 | K1403-Q1407 WeakPolarHBondContact O-CG 3.5Å; K1403-Q1407 PolarHBondContact O-N 2.78Å; E1404-Q1407 PolarHBondContact O-N 3.49Å; L1405-Q1407 VanDerWaalsContact C-N 3.31Å; L1405-Q1407 PolarHBondContact O-N 3.24Å; Q1407-H1409 PolarHBondContact O-N 2.84Å; Q1407-S1410 PolarHBondContact O-N 2.84Å |
| 1408 | R | 93.9 | Very high | 94.2 | Very high | 150 Ų | 150 | 53.1 Ų | 53.1 | 57% | 0.566 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -52.8 | -41.5 | 179.5 | 177.2 | 178.2 | -77.2 | 112.6 | 3.4 | 112.1 | E1404 L1405 | E1404-R1408 VanDerWaalsContact O-CB 3.31Å; E1404-R1408 WeakPolarHBondContact O-CB 3.32Å; E1404-R1408 PolarHBondContact O-N 2.89Å; E1404-R1408 IonicContact OE1-CZ 2.65Å; E1404-R1408 IonicContact OE1-NH1 3.67Å; E1404-R1408 PolarHBondContact OE1-NH1 3.22Å; E1404-R1408 IonicContact OE1-NH2 2.67Å; E1404-R1408 PolarHBondContact OE1-NH2 2.99Å; L1405-R1408 PolarHBondContact O-N 2.92Å |
| 1409 | H | 92.2 | Very high | 94 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 33% | 0.329 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 8.3 | -177.9 | -59.6 | -65.4 | 0 | 0 | 0 | 114.2 | L1405 Q1407 I1411 L1462 | L1405-H1409 PolarHBondContact O-CD2 2.94Å; L1405-H1409 VanDerWaalsContact O-CD2 3.24Å; L1405-H1409 PolarHBondContact O-N 3.46Å; Q1407-H1409 PolarHBondContact O-N 2.84Å; H1409-I1411 HydrophobicContact CB-CD1 3.89Å; H1409-I1411 HydrophobicContact CB-CG1 4.01Å; H1409-I1411 PolarHBondContact O-N 3.06Å; H1409-L1462 HydrophobicContact CB-CD1 4.46Å; H1409-L1462 HydrophobicContact CB-CD2 4.23Å; H1409-L1462 WeakPolarHBondContact CD2-CD2 3.5Å |
| 1410 | S | 93.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.1 | 180 | -66.2 | 0 | 0 | 0 | 0 | 113.9 | L1406 Q1407 P1412 Q1469 | L1406-S1410 PolarHBondContact O-N 3.47Å; Q1407-S1410 PolarHBondContact O-N 2.84Å; S1410-P1412 WeakPolarHBondContact O-CD 3.24Å; S1410-Q1469 PolarHBondContact O-NE2 2.79Å |
| 1411 | I | 94 | Very high | 93.6 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -88.4 | 115.7 | 178.7 | -60.6 | 168 | 0 | 0 | 0 | 107.9 | L1406 H1409 Q1413 L1462 L1465 | L1406-I1411 HydrophobicContact CD2-CB 3.73Å; L1406-I1411 HydrophobicContact CD2-CD1 4.47Å; L1406-I1411 HydrophobicContact CD2-CG2 3.64Å; L1406-I1411 PolarHBondContact O-N 3.43Å; H1409-I1411 HydrophobicContact CB-CD1 3.89Å; H1409-I1411 HydrophobicContact CB-CG1 4.01Å; H1409-I1411 PolarHBondContact O-N 3.06Å; I1411-Q1413 PolarHBondContact O-N 3.29Å; I1411-L1462 HydrophobicContact CD1-CD1 3.55Å; I1411-L1462 HydrophobicContact CD1-CG 4.05Å; I1411-L1465 HydrophobicContact CD1-CB 3.9Å; I1411-L1465 HydrophobicContact CD1-CD1 4.15Å; I1411-L1465 HydrophobicContact CG2-CB 4.19Å; I1411-L1465 HydrophobicContact CG2-CD1 4.23Å | ||
| 1412 | P | 93 | Very high | 93.2 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | trans | -68 | 132.6 | -177.5 | 26.7 | -33.3 | 0 | 0 | 0 | 110.9 | S1410 R1414 L1415 F1416 | S1410-P1412 WeakPolarHBondContact O-CD 3.24Å; P1412-R1414 PolarHBondContact O-N 2.8Å; P1412-L1415 HydrophobicContact CG-CB 4.04Å; P1412-L1415 WeakPolarHBondContact O-CB 3.37Å; P1412-L1415 PolarHBondContact O-N 3.19Å; P1412-F1416 PolarHBondContact O-N 2.87Å | ||
| 1413 | Q | 94.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -51.4 | -22.3 | 175.7 | -75.7 | -178.4 | -11.4 | 0 | 0 | 114.1 | L1406 I1411 G1417 Q1425 V1428 L1432 | L1406-Q1413 HydrophobicContact CD1-CG 4.35Å; I1411-Q1413 PolarHBondContact O-N 3.29Å; Q1413-G1417 WeakPolarHBondContact O-CA 3.25Å; Q1413-G1417 PolarHBondContact O-N 3.14Å; Q1413-Q1425 HydrophobicContact CB-CG 4.15Å; Q1413-V1428 HydrophobicContact CB-CG1 4.18Å; Q1413-V1428 HydrophobicContact CG-CG1 4.29Å; Q1413-L1432 HydrophobicContact CG-CD1 4.47Å |
| 1414 | R | 93.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 173.1 | -179.1 | 69.2 | -157.3 | 104.8 | 0.7 | 112.3 | S1256 P1412 D1418 Q1425 | S1256-R1414 PolarHBondContact OG-NH2 2.98Å; P1412-R1414 PolarHBondContact O-N 2.8Å; R1414-D1418 IonicContact CZ-OD1 2.73Å; R1414-D1418 IonicContact CZ-OD2 2.7Å; R1414-D1418 IonicContact NE-OD2 2.73Å; R1414-D1418 IonicContact NH1-OD1 2.83Å; R1414-D1418 PolarHBondContact NH1-OD1 3.37Å; R1414-D1418 IonicContact NH1-OD2 3.06Å; R1414-D1418 PolarHBondContact NH1-OD2 2.9Å; R1414-D1418 IonicContact NH2-OD1 3Å; R1414-D1418 PolarHBondContact NH2-OD1 3.37Å; R1414-D1418 IonicContact NH2-OD2 2.67Å; R1414-D1418 PolarHBondContact NH2-OD2 3.44Å; R1414-D1418 PolarHBondContact O-N 3.45Å; R1414-D1418 VanDerWaalsContact O-N 3.13Å; R1414-Q1425 HydrophobicContact CB-CB 4.31Å; R1414-Q1425 HydrophobicContact CB-CG 4.47Å |
| 1415 | L | 94 | Very high | 92.4 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.3 | -50.7 | -178.5 | 180 | 60.8 | 0 | 0 | 0 | 110.7 | P1412 G1417 D1418 V1419 L1465 A1468 Q1469 I1472 | P1412-L1415 HydrophobicContact CG-CB 4.04Å; P1412-L1415 WeakPolarHBondContact O-CB 3.37Å; P1412-L1415 PolarHBondContact O-N 3.19Å; L1415-G1417 PolarHBondContact O-N 3Å; L1415-D1418 PolarHBondContact O-N 2.72Å; L1415-D1418 VanDerWaalsContact O-N 3.1Å; L1415-V1419 HydrophobicContact CD1-CG2 3.9Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.33Å; L1415-V1419 PolarHBondContact O-N 3.02Å; L1415-L1465 HydrophobicContact CG-CD2 4.42Å; L1415-A1468 HydrophobicContact CD1-CB 3.99Å; L1415-A1468 HydrophobicContact CD2-CB 4.31Å; L1415-Q1469 HydrophobicContact CD2-CB 3.63Å; L1415-Q1469 HydrophobicContact CD2-CG 4.23Å; L1415-I1472 HydrophobicContact CD1-CD1 3.68Å |
| 1416 | F | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53 | -41.3 | 171.3 | -178.5 | -108 | 0 | 0 | 0 | 112 | I1402 L1406 P1412 V1420 L1421 V1428 L1452 W1455 L1465 | I1402-F1416 HydrophobicContact CG2-CE1 3.86Å; I1402-F1416 HydrophobicContact CG2-CE2 4.26Å; I1402-F1416 HydrophobicContact CG2-CZ 3.54Å; L1406-F1416 HydrophobicContact CD1-CB 4.22Å; L1406-F1416 HydrophobicContact CD1-CD1 3.7Å; L1406-F1416 HydrophobicContact CD1-CD2 4.36Å; L1406-F1416 HydrophobicContact CD1-CE1 4.1Å; L1406-F1416 HydrophobicContact CD1-CG 3.84Å; L1406-F1416 HydrophobicContact CD2-CB 3.8Å; L1406-F1416 HydrophobicContact CD2-CD2 3.83Å; L1406-F1416 HydrophobicContact CD2-CG 3.81Å; L1406-F1416 HydrophobicContact CG-CG 4.44Å; P1412-F1416 PolarHBondContact O-N 2.87Å; F1416-V1420 HydrophobicContact CD2-CB 4.01Å; F1416-V1420 HydrophobicContact CD2-CG2 3.74Å; F1416-V1420 HydrophobicContact CE2-CB 3.84Å; F1416-V1420 HydrophobicContact CE2-CG1 3.95Å; F1416-V1420 HydrophobicContact CE2-CG2 3.74Å; F1416-V1420 HydrophobicContact CZ-CB 4.32Å; F1416-V1420 HydrophobicContact CZ-CG1 4.16Å; F1416-V1420 WeakPolarHBondContact O-CB 3.37Å; F1416-V1420 PolarHBondContact O-N 3.41Å; F1416-L1421 HydrophobicContact CD1-CD1 4.26Å; F1416-L1421 HydrophobicContact CE1-CD1 3.84Å; F1416-L1421 HydrophobicContact CE1-CG 4.2Å; F1416-L1421 PolarHBondContact O-N 3.5Å; F1416-V1428 HydrophobicContact CD1-CG1 4.02Å; F1416-L1452 HydrophobicContact CE1-CD2 3.64Å; F1416-L1452 HydrophobicContact CZ-CD2 3.47Å; F1416-L1452 VanDerWaalsContact CZ-CD2 3.47Å; F1416-W1455 HydrophobicContact CD2-CH2 4.48Å; F1416-W1455 HydrophobicContact CD2-CZ2 4.39Å; F1416-W1455 AromaticContact CE2-CD2 3.76Å; F1416-W1455 HydrophobicContact CE2-CD2 3.76Å; F1416-W1455 AromaticContact CE2-CE2 3.85Å; F1416-W1455 AromaticContact CE2-CE3 3.68Å; F1416-W1455 HydrophobicContact CE2-CE3 3.68Å; F1416-W1455 AromaticContact CE2-CH2 3.86Å; F1416-W1455 HydrophobicContact CE2-CH2 3.86Å; F1416-W1455 AromaticContact CE2-CZ2 3.93Å; F1416-W1455 HydrophobicContact CE2-CZ2 3.93Å; F1416-W1455 AromaticContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CZ-CD2 4.41Å; F1416-W1455 HydrophobicContact CZ-CE3 4.03Å; F1416-W1455 HydrophobicContact CZ-CZ3 4.19Å; F1416-L1465 HydrophobicContact CD2-CD1 3.75Å; F1416-L1465 HydrophobicContact CE2-CD1 4.41Å |
| 1417 | G | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -60.3 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1413 L1415 L1421 G1422 M1423 V1428 | Q1413-G1417 WeakPolarHBondContact O-CA 3.25Å; Q1413-G1417 PolarHBondContact O-N 3.14Å; L1415-G1417 PolarHBondContact O-N 3Å; G1417-L1421 CarbonylContact O-C 3.54Å; G1417-G1422 CarbonylContact O-C 3.58Å; G1417-G1422 WeakPolarHBondContact O-CA 2.95Å; G1417-G1422 PolarHBondContact O-N 3.47Å; G1417-M1423 CarbonylContact C-O 3.54Å; G1417-M1423 WeakPolarHBondContact CA-O 3.34Å; G1417-M1423 PolarHBondContact O-N 3.32Å; G1417-M1423 VanDerWaalsContact O-O 3.1Å; G1417-V1428 VanDerWaalsContact CA-CG2 3.49Å |
| 1418 | D | 87.7 | Confident | 92 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -70.7 | -53.5 | 177.5 | -76 | -27 | 0 | 0 | 0 | 111.8 | S1256 R1414 L1415 G1422 | S1256-D1418 WeakPolarHBondContact CB-OD2 3.23Å; S1256-D1418 PolarHBondContact OG-OD2 3.36Å; R1414-D1418 IonicContact CZ-OD1 2.73Å; R1414-D1418 IonicContact CZ-OD2 2.7Å; R1414-D1418 IonicContact NE-OD2 2.73Å; R1414-D1418 IonicContact NH1-OD1 2.83Å; R1414-D1418 PolarHBondContact NH1-OD1 3.37Å; R1414-D1418 IonicContact NH1-OD2 3.06Å; R1414-D1418 PolarHBondContact NH1-OD2 2.9Å; R1414-D1418 IonicContact NH2-OD1 3Å; R1414-D1418 PolarHBondContact NH2-OD1 3.37Å; R1414-D1418 IonicContact NH2-OD2 2.67Å; R1414-D1418 PolarHBondContact NH2-OD2 3.44Å; R1414-D1418 PolarHBondContact O-N 3.45Å; R1414-D1418 VanDerWaalsContact O-N 3.13Å; L1415-D1418 PolarHBondContact O-N 2.72Å; L1415-D1418 VanDerWaalsContact O-N 3.1Å; D1418-G1422 PolarHBondContact O-N 2.94Å |
| 1419 | V | 90.4 | Very high | 92.1 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -77.1 | -50.1 | -167.3 | -167.6 | 0 | 0 | 0 | 0 | 112 | R1377 L1415 M1464 L1465 | R1377-V1419 WeakPolarHBondContact CD-O 3.49Å; R1377-V1419 PolarHBondContact NE-O 2.65Å; L1415-V1419 HydrophobicContact CD1-CG2 3.9Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.33Å; L1415-V1419 PolarHBondContact O-N 3.02Å; V1419-M1464 HydrophobicContact CB-SD 4.22Å; V1419-M1464 HydrophobicContact CG1-CG 4.29Å; V1419-M1464 HydrophobicContact CG1-SD 3.33Å; V1419-M1464 WeakPolarHBondContact CG1-SD 3.49Å; V1419-L1465 HydrophobicContact CB-CD2 4.32Å |
| 1420 | V | 91.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -85.3 | -51 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | R1377 F1416 W1455 M1464 L1465 | R1377-V1420 VanDerWaalsContact CZ-O 3.28Å; R1377-V1420 PolarHBondContact NE-O 2.9Å; R1377-V1420 PolarHBondContact NH2-O 3.29Å; F1416-V1420 HydrophobicContact CD2-CB 4.01Å; F1416-V1420 HydrophobicContact CD2-CG2 3.74Å; F1416-V1420 HydrophobicContact CE2-CB 3.84Å; F1416-V1420 HydrophobicContact CE2-CG1 3.95Å; F1416-V1420 HydrophobicContact CE2-CG2 3.74Å; F1416-V1420 HydrophobicContact CZ-CB 4.32Å; F1416-V1420 HydrophobicContact CZ-CG1 4.16Å; F1416-V1420 WeakPolarHBondContact O-CB 3.37Å; F1416-V1420 PolarHBondContact O-N 3.41Å; V1420-W1455 HydrophobicContact CG1-CB 3.77Å; V1420-W1455 HydrophobicContact CG1-CD2 4.31Å; V1420-W1455 HydrophobicContact CG1-CG 3.67Å; V1420-W1455 HydrophobicContact CG2-CD2 4.42Å; V1420-W1455 HydrophobicContact CG2-CG 4.13Å; V1420-M1464 HydrophobicContact CG2-CE 3.99Å; V1420-M1464 HydrophobicContact CG2-SD 4.33Å; V1420-L1465 HydrophobicContact CG2-CD1 4.5Å; V1420-L1465 HydrophobicContact CG2-CD2 4.26Å |
| 1421 | L | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -92.3 | -20.7 | -170.9 | -73.8 | 178.3 | 0 | 0 | 0 | 115.5 | R1377 F1416 G1417 M1423 V1428 P1448 R1451 L1452 | R1377-L1421 PolarHBondContact NH2-O 3.46Å; F1416-L1421 HydrophobicContact CD1-CD1 4.26Å; F1416-L1421 HydrophobicContact CE1-CD1 3.84Å; F1416-L1421 HydrophobicContact CE1-CG 4.2Å; F1416-L1421 PolarHBondContact O-N 3.5Å; G1417-L1421 CarbonylContact O-C 3.54Å; L1421-M1423 HydrophobicContact CB-CB 4.14Å; L1421-M1423 HydrophobicContact CB-CG 4.14Å; L1421-M1423 HydrophobicContact CB-SD 4.47Å; L1421-M1423 WeakPolarHBondContact O-CG 3.24Å; L1421-M1423 PolarHBondContact O-N 2.95Å; L1421-V1428 HydrophobicContact CD1-CB 4.42Å; L1421-V1428 HydrophobicContact CD1-CG1 4.12Å; L1421-V1428 HydrophobicContact CD1-CG2 3.82Å; L1421-P1448 HydrophobicContact CD2-CB 4.23Å; L1421-R1451 HydrophobicContact CD2-CB 4.13Å; L1421-L1452 HydrophobicContact CD1-CD2 4.04Å; L1421-L1452 HydrophobicContact CD2-CD2 3.9Å; L1421-L1452 HydrophobicContact CD2-CG 4.14Å; L1421-L1452 HydrophobicContact CG-CD2 4.16Å |
| 1422 | G | 87.7 | Confident | 92.2 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | trans | 57 | 32.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1417 D1418 | G1417-G1422 CarbonylContact O-C 3.58Å; G1417-G1422 WeakPolarHBondContact O-CA 2.95Å; G1417-G1422 PolarHBondContact O-N 3.47Å; D1418-G1422 PolarHBondContact O-N 2.94Å | ||
| 1423 | M | 89.4 | Confident | 92.1 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -127.5 | 149.8 | -174.8 | -64.9 | -174.8 | 96.7 | 0 | 0 | 110.7 | G1417 L1421 V1428 I1431 P1448 | G1417-M1423 CarbonylContact C-O 3.54Å; G1417-M1423 WeakPolarHBondContact CA-O 3.34Å; G1417-M1423 PolarHBondContact O-N 3.32Å; G1417-M1423 VanDerWaalsContact O-O 3.1Å; L1421-M1423 HydrophobicContact CB-CB 4.14Å; L1421-M1423 HydrophobicContact CB-CG 4.14Å; L1421-M1423 HydrophobicContact CB-SD 4.47Å; L1421-M1423 WeakPolarHBondContact O-CG 3.24Å; L1421-M1423 PolarHBondContact O-N 2.95Å; M1423-V1428 HydrophobicContact CB-CG2 4.12Å; M1423-I1431 HydrophobicContact CE-CD1 4.03Å; M1423-I1431 HydrophobicContact SD-CD1 3.76Å; M1423-P1448 HydrophobicContact SD-CB 4.15Å |
| 1424 | C | 89.1 | Confident | 91.9 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 46% | 0.459 | 26% | 0.256 | S | S | . | . | trans | -68.1 | 152 | 175.2 | 77.6 | 0 | 0 | 0 | 0 | 111.4 | A1426 S1427 V1428 | C1424-A1426 PolarHBondContact O-N 3.01Å; C1424-S1427 PolarHBondContact O-N 3.36Å; C1424-S1427 PolarHBondContact SG-OG 2.95Å; C1424-S1427 VanDerWaalsContact SG-OG 3.41Å; C1424-V1428 PolarHBondContact O-N 3.43Å; C1424-V1428 VanDerWaalsContact O-N 3.13Å | ||
| 1425 | Q | 91 | Very high | 91.8 | Very high | 99 Ų | 99 | 42.5 Ų | 42.5 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -49.5 | -36 | -179.3 | -176.5 | -176.2 | -4 | 0 | 0 | 113.6 | Q1413 R1414 V1428 S1429 | Q1413-Q1425 HydrophobicContact CB-CG 4.15Å; R1414-Q1425 HydrophobicContact CB-CB 4.31Å; R1414-Q1425 HydrophobicContact CB-CG 4.47Å; Q1425-V1428 PolarHBondContact O-N 2.83Å; Q1425-S1429 VanDerWaalsContact O-CB 3.31Å; Q1425-S1429 WeakPolarHBondContact O-CB 3.48Å; Q1425-S1429 PolarHBondContact O-N 3.33Å |
| 1426 | A | 88.3 | Confident | 91.7 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1424 V1428 S1429 D1430 | C1424-A1426 PolarHBondContact O-N 3.01Å; A1426-V1428 VanDerWaalsContact C-N 3.33Å; A1426-V1428 PolarHBondContact O-N 3.14Å; A1426-S1429 PolarHBondContact O-N 2.93Å; A1426-D1430 PolarHBondContact O-N 3.35Å |
| 1427 | S | 92.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | C1424 D1430 I1431 | C1424-S1427 PolarHBondContact O-N 3.36Å; C1424-S1427 PolarHBondContact SG-OG 2.95Å; C1424-S1427 VanDerWaalsContact SG-OG 3.41Å; S1427-D1430 PolarHBondContact O-N 2.88Å; S1427-I1431 WeakPolarHBondContact O-CB 3.42Å; S1427-I1431 WeakPolarHBondContact O-CG1 3.15Å; S1427-I1431 PolarHBondContact O-N 3.16Å |
| 1428 | V | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 172.3 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | Q1413 F1416 G1417 L1421 M1423 C1424 Q1425 A1426 D1430 I1431 L1432 | Q1413-V1428 HydrophobicContact CB-CG1 4.18Å; Q1413-V1428 HydrophobicContact CG-CG1 4.29Å; F1416-V1428 HydrophobicContact CD1-CG1 4.02Å; G1417-V1428 VanDerWaalsContact CA-CG2 3.49Å; L1421-V1428 HydrophobicContact CD1-CB 4.42Å; L1421-V1428 HydrophobicContact CD1-CG1 4.12Å; L1421-V1428 HydrophobicContact CD1-CG2 3.82Å; M1423-V1428 HydrophobicContact CB-CG2 4.12Å; C1424-V1428 PolarHBondContact O-N 3.43Å; C1424-V1428 VanDerWaalsContact O-N 3.13Å; Q1425-V1428 PolarHBondContact O-N 2.83Å; A1426-V1428 VanDerWaalsContact C-N 3.33Å; A1426-V1428 PolarHBondContact O-N 3.14Å; V1428-D1430 VanDerWaalsContact C-N 3.33Å; V1428-D1430 PolarHBondContact O-N 2.95Å; V1428-I1431 PolarHBondContact O-N 3.34Å; V1428-L1432 HydrophobicContact CG1-CD1 3.83Å; V1428-L1432 HydrophobicContact CG1-CG 4.38Å; V1428-L1432 WeakPolarHBondContact O-CB 3.5Å; V1428-L1432 WeakPolarHBondContact O-CG 3.49Å; V1428-L1432 PolarHBondContact O-N 3.49Å |
| 1429 | S | 95.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | Q1425 A1426 S1433 | Q1425-S1429 VanDerWaalsContact O-CB 3.31Å; Q1425-S1429 WeakPolarHBondContact O-CB 3.48Å; Q1425-S1429 PolarHBondContact O-N 3.33Å; A1426-S1429 PolarHBondContact O-N 2.93Å; S1429-S1433 WeakPolarHBondContact O-CB 3.11Å; S1429-S1433 PolarHBondContact O-N 3.01Å; S1429-S1433 PolarHBondContact O-OG 3.13Å |
| 1430 | D | 94.1 | Very high | 91.6 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.5 | -81.9 | -48.5 | 0 | 0 | 0 | 111.2 | A1426 S1427 V1428 S1433 K1434 | A1426-D1430 PolarHBondContact O-N 3.35Å; S1427-D1430 PolarHBondContact O-N 2.88Å; V1428-D1430 VanDerWaalsContact C-N 3.33Å; V1428-D1430 PolarHBondContact O-N 2.95Å; D1430-S1433 PolarHBondContact O-N 3.26Å; D1430-K1434 WeakPolarHBondContact O-CA 3.43Å; D1430-K1434 WeakPolarHBondContact O-CB 3.37Å; D1430-K1434 PolarHBondContact O-N 2.91Å; D1430-K1434 IonicContact OD1-NZ 3.17Å; D1430-K1434 PolarHBondContact OD1-NZ 2.87Å |
| 1431 | I | 94.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.6 | -73.3 | 164.8 | 0 | 0 | 0 | 111.8 | M1423 S1427 V1428 S1433 T1435 P1448 Y1449 L1452 | M1423-I1431 HydrophobicContact CE-CD1 4.03Å; M1423-I1431 HydrophobicContact SD-CD1 3.76Å; S1427-I1431 WeakPolarHBondContact O-CB 3.42Å; S1427-I1431 WeakPolarHBondContact O-CG1 3.15Å; S1427-I1431 PolarHBondContact O-N 3.16Å; V1428-I1431 PolarHBondContact O-N 3.34Å; I1431-S1433 VanDerWaalsContact C-N 3.3Å; I1431-S1433 PolarHBondContact O-N 3.03Å; I1431-T1435 VanDerWaalsContact O-CG2 3.3Å; I1431-T1435 WeakPolarHBondContact O-CG2 3.45Å; I1431-P1448 HydrophobicContact CD1-CB 3.83Å; I1431-P1448 HydrophobicContact CD1-CG 4.03Å; I1431-Y1449 HydrophobicContact CG2-CE1 4.11Å; I1431-L1452 HydrophobicContact CG2-CD1 4.11Å |
| 1432 | L | 94.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.6 | -178.7 | -63 | 178.2 | 0 | 0 | 0 | 114.4 | C1399 I1402 L1406 Q1413 V1428 L1452 | C1399-L1432 HydrophobicContact CB-CD2 3.81Å; I1402-L1432 HydrophobicContact CB-CD2 4.44Å; I1402-L1432 HydrophobicContact CG2-CD2 4.22Å; L1406-L1432 HydrophobicContact CD1-CD1 3.98Å; Q1413-L1432 HydrophobicContact CG-CD1 4.47Å; V1428-L1432 HydrophobicContact CG1-CD1 3.83Å; V1428-L1432 HydrophobicContact CG1-CG 4.38Å; V1428-L1432 WeakPolarHBondContact O-CB 3.5Å; V1428-L1432 WeakPolarHBondContact O-CG 3.49Å; V1428-L1432 PolarHBondContact O-N 3.49Å; L1432-L1452 HydrophobicContact CD2-CD1 4.44Å |
| 1433 | S | 90.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -19.8 | 176.2 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | S1429 D1430 I1431 | S1429-S1433 WeakPolarHBondContact O-CB 3.11Å; S1429-S1433 PolarHBondContact O-N 3.01Å; S1429-S1433 PolarHBondContact O-OG 3.13Å; D1430-S1433 PolarHBondContact O-N 3.26Å; I1431-S1433 VanDerWaalsContact C-N 3.3Å; I1431-S1433 PolarHBondContact O-N 3.03Å |
| 1434 | K | 89.2 | Confident | 91.5 | Very high | 137 Ų | 137 | 66.5 Ų | 66.5 | 60% | 0.596 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -128.3 | 51.1 | 179.3 | -58.1 | 164.1 | -170.2 | 161.2 | 0 | 109 | D1430 R1436 | D1430-K1434 WeakPolarHBondContact O-CA 3.43Å; D1430-K1434 WeakPolarHBondContact O-CB 3.37Å; D1430-K1434 PolarHBondContact O-N 2.91Å; D1430-K1434 IonicContact OD1-NZ 3.17Å; D1430-K1434 PolarHBondContact OD1-NZ 2.87Å; K1434-R1436 PolarHBondContact O-N 2.8Å |
| 1435 | T | 91.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 118.7 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | C1399 I1431 | C1399-T1435 HydrophobicContact CB-CG2 3.33Å; I1431-T1435 VanDerWaalsContact O-CG2 3.3Å; I1431-T1435 WeakPolarHBondContact O-CG2 3.45Å |
| 1436 | R | 90.6 | Very high | 91.8 | Very high | 154 Ų | 154 | 62.2 Ų | 62.2 | 58% | 0.581 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 135.8 | 176.3 | -75.2 | -179 | 172.8 | -113.6 | -3.5 | 109.7 | T1395 K1434 L1441 Y1449 | T1395-R1436 WeakPolarHBondContact CB-O 3.49Å; T1395-R1436 PolarHBondContact OG1-O 3.27Å; K1434-R1436 PolarHBondContact O-N 2.8Å; R1436-L1441 HydrophobicContact CB-CD2 3.84Å; R1436-L1441 HydrophobicContact CB-CG 4.32Å; R1436-Y1449 PolarHBondContact N-OH 2.94Å |
| 1437 | P | 91.6 | Very high | 92 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 146.3 | 176.8 | 26.6 | -34.5 | 0 | 0 | 0 | 111.3 | T1395 S1439 H1440 | T1395-P1437 WeakPolarHBondContact OG1-CA 3.48Å; P1437-S1439 VanDerWaalsContact C-N 3.29Å; P1437-S1439 PolarHBondContact O-N 2.99Å; P1437-H1440 HydrophobicContact CG-CB 4.15Å; P1437-H1440 PolarHBondContact O-N 2.89Å |
| 1438 | W | 94 | Very high | 92.1 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -55 | -38.7 | -173.2 | -177.2 | -105.9 | 0 | 0 | 0 | 114.8 | L1390 T1391 L1393 T1395 H1440 L1441 R1446 V1450 | L1390-W1438 HydrophobicContact CB-CH2 4.1Å; L1390-W1438 HydrophobicContact CB-CZ2 3.55Å; L1390-W1438 HydrophobicContact CD1-CH2 4.34Å; L1390-W1438 VanDerWaalsContact O-CZ2 3.3Å; L1390-W1438 WeakPolarHBondContact O-CZ2 3.42Å; L1390-W1438 PolarHBondContact O-NE1 3.37Å; T1391-W1438 PolarHBondContact O-NE1 2.9Å; L1393-W1438 HydrophobicContact CB-CD2 3.77Å; L1393-W1438 HydrophobicContact CB-CE3 3.78Å; L1393-W1438 HydrophobicContact CB-CG 4.12Å; L1393-W1438 HydrophobicContact CB-CZ3 4.2Å; L1393-W1438 HydrophobicContact CD2-CE3 3.81Å; L1393-W1438 HydrophobicContact CD2-CH2 4.31Å; L1393-W1438 HydrophobicContact CD2-CZ3 3.62Å; L1393-W1438 HydrophobicContact CG-CE3 4.42Å; L1393-W1438 WeakPolarHBondContact O-CB 3.24Å; T1395-W1438 HydrophobicContact CG2-CB 4.19Å; T1395-W1438 HydrophobicContact CG2-CE3 3.99Å; W1438-H1440 PolarHBondContact O-N 2.99Å; W1438-L1441 HydrophobicContact CE3-CD1 4.32Å; W1438-L1441 PolarHBondContact O-N 3.26Å; W1438-L1441 VanDerWaalsContact O-N 3.16Å; W1438-R1446 HydrophobicContact CD2-CG 4.27Å; W1438-R1446 HydrophobicContact CE3-CB 4.41Å; W1438-R1446 HydrophobicContact CE3-CG 3.94Å; W1438-R1446 HydrophobicContact CH2-CB 3.72Å; W1438-R1446 HydrophobicContact CH2-CG 3.81Å; W1438-R1446 HydrophobicContact CZ2-CB 4.42Å; W1438-R1446 HydrophobicContact CZ2-CG 4.11Å; W1438-R1446 HydrophobicContact CZ3-CB 3.7Å; W1438-R1446 HydrophobicContact CZ3-CG 3.71Å; W1438-R1446 PolarHBondContact O-NH2 2.87Å; W1438-V1450 HydrophobicContact CH2-CG2 3.7Å; W1438-V1450 HydrophobicContact CZ3-CG2 4.17Å |
| 1439 | S | 90.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 57% | 0.573 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -58.6 | -29.4 | 174.3 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | P1437 | P1437-S1439 VanDerWaalsContact C-N 3.29Å; P1437-S1439 PolarHBondContact O-N 2.99Å |
| 1440 | H | 89.5 | Confident | 92.1 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -97.8 | 18.1 | -179.1 | -62.4 | 61 | 0 | 0 | 0 | 112.7 | P1437 W1438 | P1437-H1440 HydrophobicContact CG-CB 4.15Å; P1437-H1440 PolarHBondContact O-N 2.89Å; W1438-H1440 PolarHBondContact O-N 2.99Å |
| 1441 | L | 91.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -114.9 | 123.4 | 175.7 | -64.8 | 174.5 | 0 | 0 | 0 | 110.4 | T1395 R1436 W1438 A1445 R1446 Y1449 | T1395-L1441 HydrophobicContact CG2-CD1 4.12Å; R1436-L1441 HydrophobicContact CB-CD2 3.84Å; R1436-L1441 HydrophobicContact CB-CG 4.32Å; W1438-L1441 HydrophobicContact CE3-CD1 4.32Å; W1438-L1441 PolarHBondContact O-N 3.26Å; W1438-L1441 VanDerWaalsContact O-N 3.16Å; L1441-A1445 HydrophobicContact CB-CB 4.3Å; L1441-A1445 HydrophobicContact CD2-CB 3.88Å; L1441-R1446 HydrophobicContact CB-CG 3.58Å; L1441-R1446 HydrophobicContact CD1-CG 4.34Å; L1441-R1446 PolarHBondContact O-NE 3.02Å; L1441-Y1449 HydrophobicContact CD1-CD2 3.4Å; L1441-Y1449 VanDerWaalsContact CD1-CD2 3.4Å; L1441-Y1449 HydrophobicContact CD1-CE2 3.42Å; L1441-Y1449 VanDerWaalsContact CD1-CE2 3.42Å; L1441-Y1449 HydrophobicContact CD1-CG 4.05Å; L1441-Y1449 HydrophobicContact CD2-CE2 3.89Å; L1441-Y1449 HydrophobicContact CG-CE2 4.33Å | ||
| 1442 | S | 91.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 54 Ų | 54 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | trans | -67.5 | 158.5 | 165.3 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | K1444 A1445 R1446 | S1442-K1444 PolarHBondContact O-N 2.92Å; S1442-A1445 CarbonylContact O-C 3.48Å; S1442-A1445 WeakPolarHBondContact O-CA 3.37Å; S1442-A1445 WeakPolarHBondContact O-CB 3.36Å; S1442-A1445 PolarHBondContact O-N 2.84Å; S1442-R1446 WeakPolarHBondContact O-CG 3.24Å; S1442-R1446 PolarHBondContact O-N 3.32Å | ||
| 1443 | N | 88.5 | Confident | 92.1 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.8 | -34.5 | -175.5 | -55.7 | 22.4 | 0 | 0 | 0 | 112.6 | T1388 R1446 I1447 | T1388-N1443 PolarHBondContact OG1-ND2 2.97Å; N1443-R1446 PolarHBondContact O-N 3.1Å; N1443-I1447 PolarHBondContact O-N 2.74Å |
| 1444 | K | 88.2 | Confident | 92.3 | Very high | 136 Ų | 136 | 53.2 Ų | 53.2 | 59% | 0.591 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.3 | -31.3 | 174.5 | -165.5 | 169.3 | -169.5 | 167.4 | 0 | 113.7 | S1190 S1442 I1447 | S1190-K1444 PolarHBondContact OG-NZ 3.45Å; S1442-K1444 PolarHBondContact O-N 2.92Å; K1444-I1447 HydrophobicContact CG-CD1 4.33Å |
| 1445 | A | 91.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -82.4 | -21 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1441 S1442 P1448 Y1449 | L1441-A1445 HydrophobicContact CB-CB 4.3Å; L1441-A1445 HydrophobicContact CD2-CB 3.88Å; S1442-A1445 CarbonylContact O-C 3.48Å; S1442-A1445 WeakPolarHBondContact O-CA 3.37Å; S1442-A1445 WeakPolarHBondContact O-CB 3.36Å; S1442-A1445 PolarHBondContact O-N 2.84Å; A1445-P1448 VanDerWaalsContact O-CD 3.31Å; A1445-P1448 WeakPolarHBondContact O-CD 2.99Å; A1445-P1448 WeakPolarHBondContact O-CG 3.28Å; A1445-Y1449 WeakPolarHBondContact O-CD2 3.18Å |
| 1446 | R | 94.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.2 | -31.8 | 172.4 | -68.9 | 174.5 | -177.8 | -164.3 | -6.3 | 113.3 | A1387 W1438 L1441 S1442 N1443 Y1449 V1450 | A1387-R1446 HydrophobicContact CB-CB 3.93Å; A1387-R1446 WeakPolarHBondContact O-CD 3.19Å; A1387-R1446 PolarHBondContact O-NH1 3.25Å; W1438-R1446 HydrophobicContact CD2-CG 4.27Å; W1438-R1446 HydrophobicContact CE3-CB 4.41Å; W1438-R1446 HydrophobicContact CE3-CG 3.94Å; W1438-R1446 HydrophobicContact CH2-CB 3.72Å; W1438-R1446 HydrophobicContact CH2-CG 3.81Å; W1438-R1446 HydrophobicContact CZ2-CB 4.42Å; W1438-R1446 HydrophobicContact CZ2-CG 4.11Å; W1438-R1446 HydrophobicContact CZ3-CB 3.7Å; W1438-R1446 HydrophobicContact CZ3-CG 3.71Å; W1438-R1446 PolarHBondContact O-NH2 2.87Å; L1441-R1446 HydrophobicContact CB-CG 3.58Å; L1441-R1446 HydrophobicContact CD1-CG 4.34Å; L1441-R1446 PolarHBondContact O-NE 3.02Å; S1442-R1446 WeakPolarHBondContact O-CG 3.24Å; S1442-R1446 PolarHBondContact O-N 3.32Å; N1443-R1446 PolarHBondContact O-N 3.1Å; R1446-Y1449 WeakPolarHBondContact O-CA 3.41Å; R1446-Y1449 WeakPolarHBondContact O-CB 3.37Å; R1446-Y1449 PolarHBondContact O-N 3.13Å; R1446-V1450 PolarHBondContact O-N 2.98Å |
| 1447 | I | 93.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -39.7 | -52.8 | 179.2 | -69.8 | 171.6 | 0 | 0 | 0 | 115 | V1383 M1384 N1443 K1444 V1450 R1451 | V1383-I1447 HydrophobicContact CG1-CB 4.37Å; V1383-I1447 HydrophobicContact CG1-CG1 4.5Å; V1383-I1447 HydrophobicContact CG1-CG2 3.88Å; M1384-I1447 HydrophobicContact CE-CD1 3.79Å; N1443-I1447 PolarHBondContact O-N 2.74Å; K1444-I1447 HydrophobicContact CG-CD1 4.33Å; I1447-V1450 PolarHBondContact O-N 3.1Å; I1447-R1451 PolarHBondContact O-N 2.9Å; I1447-R1451 VanDerWaalsContact O-N 3.15Å |
| 1448 | P | 93.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 10% | 0.104 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.1 | 23 | -33.9 | 0 | 0 | 0 | 112.8 | L1421 M1423 I1431 A1445 R1451 L1452 | L1421-P1448 HydrophobicContact CD2-CB 4.23Å; M1423-P1448 HydrophobicContact SD-CB 4.15Å; I1431-P1448 HydrophobicContact CD1-CB 3.83Å; I1431-P1448 HydrophobicContact CD1-CG 4.03Å; A1445-P1448 VanDerWaalsContact O-CD 3.31Å; A1445-P1448 WeakPolarHBondContact O-CD 2.99Å; A1445-P1448 WeakPolarHBondContact O-CG 3.28Å; P1448-R1451 WeakPolarHBondContact O-CB 3.15Å; P1448-R1451 PolarHBondContact O-N 3.1Å; P1448-L1452 WeakPolarHBondContact O-CG 3.49Å; P1448-L1452 PolarHBondContact O-N 2.92Å |
| 1449 | Y | 95.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 178.4 | -64.5 | -89.1 | 0 | 0 | 0 | 112.2 | T1395 M1398 I1431 R1436 L1441 A1445 R1446 R1451 L1452 H1453 | T1395-Y1449 HydrophobicContact CG2-CD1 3.48Å; T1395-Y1449 VanDerWaalsContact CG2-CD1 3.48Å; T1395-Y1449 HydrophobicContact CG2-CE1 3.91Å; T1395-Y1449 HydrophobicContact CG2-CG 3.87Å; M1398-Y1449 HydrophobicContact CE-CD1 3.73Å; M1398-Y1449 HydrophobicContact CE-CG 4.3Å; M1398-Y1449 WeakPolarHBondContact CE-O 3.42Å; I1431-Y1449 HydrophobicContact CG2-CE1 4.11Å; R1436-Y1449 PolarHBondContact N-OH 2.94Å; L1441-Y1449 HydrophobicContact CD1-CD2 3.4Å; L1441-Y1449 VanDerWaalsContact CD1-CD2 3.4Å; L1441-Y1449 HydrophobicContact CD1-CE2 3.42Å; L1441-Y1449 VanDerWaalsContact CD1-CE2 3.42Å; L1441-Y1449 HydrophobicContact CD1-CG 4.05Å; L1441-Y1449 HydrophobicContact CD2-CE2 3.89Å; L1441-Y1449 HydrophobicContact CG-CE2 4.33Å; A1445-Y1449 WeakPolarHBondContact O-CD2 3.18Å; R1446-Y1449 WeakPolarHBondContact O-CA 3.41Å; R1446-Y1449 WeakPolarHBondContact O-CB 3.37Å; R1446-Y1449 PolarHBondContact O-N 3.13Å; Y1449-R1451 VanDerWaalsContact C-N 3.32Å; Y1449-R1451 PolarHBondContact O-N 3.1Å; Y1449-L1452 HydrophobicContact CD1-CD1 4.38Å; Y1449-L1452 WeakPolarHBondContact O-CB 3.47Å; Y1449-L1452 PolarHBondContact O-N 2.94Å; Y1449-H1453 WeakPolarHBondContact O-CB 3.35Å; Y1449-H1453 PolarHBondContact O-N 3.26Å |
| 1450 | V | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 170.9 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | V1383 L1386 A1387 L1390 W1438 R1446 I1447 H1453 L1454 | V1383-V1450 HydrophobicContact CB-CG1 4.47Å; V1383-V1450 HydrophobicContact CG1-CB 4.19Å; V1383-V1450 HydrophobicContact CG1-CG1 4.04Å; L1386-V1450 HydrophobicContact CB-CG1 3.66Å; L1386-V1450 HydrophobicContact CD1-CG1 4.27Å; A1387-V1450 HydrophobicContact CB-CG2 3.91Å; L1390-V1450 HydrophobicContact CD1-CG2 4.21Å; W1438-V1450 HydrophobicContact CH2-CG2 3.7Å; W1438-V1450 HydrophobicContact CZ3-CG2 4.17Å; R1446-V1450 PolarHBondContact O-N 2.98Å; I1447-V1450 PolarHBondContact O-N 3.1Å; V1450-H1453 PolarHBondContact O-N 3.22Å; V1450-L1454 HydrophobicContact CG1-CD1 3.99Å; V1450-L1454 HydrophobicContact CG1-CG 4.43Å; V1450-L1454 WeakPolarHBondContact O-CB 3.43Å; V1450-L1454 WeakPolarHBondContact O-CG 3.28Å; V1450-L1454 PolarHBondContact O-N 3.27Å |
| 1451 | R | 94.3 | Very high | 91 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 174.9 | -73.7 | 169.2 | 165.9 | 159.1 | 0.6 | 112.6 | R1377 V1383 L1421 I1447 P1448 Y1449 W1455 | R1377-R1451 VanDerWaalsContact NH2-CZ 3.35Å; V1383-R1451 HydrophobicContact CG1-CG 3.9Å; V1383-R1451 HydrophobicContact CG2-CG 4.01Å; L1421-R1451 HydrophobicContact CD2-CB 4.13Å; I1447-R1451 PolarHBondContact O-N 2.9Å; I1447-R1451 VanDerWaalsContact O-N 3.15Å; P1448-R1451 WeakPolarHBondContact O-CB 3.15Å; P1448-R1451 PolarHBondContact O-N 3.1Å; Y1449-R1451 VanDerWaalsContact C-N 3.32Å; Y1449-R1451 PolarHBondContact O-N 3.1Å; R1451-W1455 WeakPolarHBondContact O-CB 3.31Å; R1451-W1455 PolarHBondContact O-N 3.19Å |
| 1452 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 171 | -68.3 | -178.1 | 0 | 0 | 0 | 111.8 | M1398 C1399 I1402 F1416 L1421 I1431 L1432 P1448 Y1449 L1456 | M1398-L1452 HydrophobicContact CE-CB 3.57Å; M1398-L1452 HydrophobicContact CE-CD1 3.92Å; M1398-L1452 HydrophobicContact CE-CG 4.38Å; M1398-L1452 HydrophobicContact SD-CB 3.83Å; C1399-L1452 WeakPolarHBondContact SG-CD1 3.35Å; I1402-L1452 HydrophobicContact CD1-CB 3.54Å; I1402-L1452 HydrophobicContact CD1-CD1 4.27Å; I1402-L1452 HydrophobicContact CD1-CD2 3.67Å; I1402-L1452 HydrophobicContact CD1-CG 4Å; I1402-L1452 HydrophobicContact CG2-CD2 4.38Å; F1416-L1452 HydrophobicContact CE1-CD2 3.64Å; F1416-L1452 HydrophobicContact CZ-CD2 3.47Å; F1416-L1452 VanDerWaalsContact CZ-CD2 3.47Å; L1421-L1452 HydrophobicContact CD1-CD2 4.04Å; L1421-L1452 HydrophobicContact CD2-CD2 3.9Å; L1421-L1452 HydrophobicContact CD2-CG 4.14Å; L1421-L1452 HydrophobicContact CG-CD2 4.16Å; I1431-L1452 HydrophobicContact CG2-CD1 4.11Å; L1432-L1452 HydrophobicContact CD2-CD1 4.44Å; P1448-L1452 WeakPolarHBondContact O-CG 3.49Å; P1448-L1452 PolarHBondContact O-N 2.92Å; Y1449-L1452 HydrophobicContact CD1-CD1 4.38Å; Y1449-L1452 WeakPolarHBondContact O-CB 3.47Å; Y1449-L1452 PolarHBondContact O-N 2.94Å; L1452-L1456 PolarHBondContact O-N 3.37Å; L1452-L1456 VanDerWaalsContact O-N 3.11Å |
| 1453 | H | 94.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 49 Ų | 49 | 19% | 0.19 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.6 | -51.2 | 179.2 | -179.3 | 50.9 | 0 | 0 | 0 | 112.1 | L1393 M1398 Y1449 V1450 W1455 L1456 Q1457 | L1393-H1453 HydrophobicContact CD1-CB 4.19Å; L1393-H1453 HydrophobicContact CD2-CB 4.22Å; M1398-H1453 VanDerWaalsContact SD-CA 3.59Å; M1398-H1453 HydrophobicContact SD-CB 3.71Å; M1398-H1453 PolarHBondContact SD-N 3.33Å; M1398-H1453 VanDerWaalsContact SD-N 3.42Å; Y1449-H1453 WeakPolarHBondContact O-CB 3.35Å; Y1449-H1453 PolarHBondContact O-N 3.26Å; V1450-H1453 PolarHBondContact O-N 3.22Å; H1453-W1455 VanDerWaalsContact C-N 3.32Å; H1453-W1455 PolarHBondContact O-N 3.29Å; H1453-L1456 PolarHBondContact O-N 2.9Å; H1453-Q1457 PolarHBondContact CE1-NE2 2.87Å; H1453-Q1457 PolarHBondContact NE2-NE2 3.29Å; H1453-Q1457 VanDerWaalsContact NE2-NE2 3.17Å; H1453-Q1457 WeakPolarHBondContact O-CG 3.48Å; H1453-Q1457 PolarHBondContact O-N 2.77Å |
| 1454 | L | 93.5 | Very high | 90.5 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.2 | -72.8 | 168.9 | 0 | 0 | 0 | 111.7 | P1378 V1383 L1386 V1450 L1456 Q1457 | P1378-L1454 HydrophobicContact CB-CD1 3.84Å; P1378-L1454 HydrophobicContact CG-CB 4.36Å; P1378-L1454 HydrophobicContact CG-CD1 4.07Å; V1383-L1454 HydrophobicContact CG2-CD1 4.13Å; L1386-L1454 HydrophobicContact CD1-CD1 4.03Å; L1386-L1454 HydrophobicContact CD1-CD2 3.84Å; L1386-L1454 HydrophobicContact CD1-CG 4.23Å; V1450-L1454 HydrophobicContact CG1-CD1 3.99Å; V1450-L1454 HydrophobicContact CG1-CG 4.43Å; V1450-L1454 WeakPolarHBondContact O-CB 3.43Å; V1450-L1454 WeakPolarHBondContact O-CG 3.28Å; V1450-L1454 PolarHBondContact O-N 3.27Å; L1454-L1456 VanDerWaalsContact C-N 3.34Å; L1454-L1456 PolarHBondContact O-N 3.23Å; L1454-Q1457 WeakPolarHBondContact O-CB 3.24Å; L1454-Q1457 PolarHBondContact O-N 3.04Å |
| 1455 | W | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 177.3 | 179.5 | 70.2 | 0 | 0 | 0 | 112.3 | Y1375 I1402 L1405 F1416 V1420 R1451 H1453 Q1457 E1458 H1461 L1462 L1465 | Y1375-W1455 AromaticContact CZ-CD1 3.84Å; I1402-W1455 HydrophobicContact CB-CZ3 4.46Å; I1402-W1455 HydrophobicContact CD1-CE3 4.16Å; I1402-W1455 HydrophobicContact CD1-CZ3 4.36Å; I1402-W1455 HydrophobicContact CG1-CE3 4.24Å; I1402-W1455 HydrophobicContact CG1-CZ3 3.96Å; I1402-W1455 HydrophobicContact CG2-CZ3 4Å; L1405-W1455 HydrophobicContact CD1-CZ3 4.48Å; F1416-W1455 HydrophobicContact CD2-CH2 4.48Å; F1416-W1455 HydrophobicContact CD2-CZ2 4.39Å; F1416-W1455 AromaticContact CE2-CD2 3.76Å; F1416-W1455 HydrophobicContact CE2-CD2 3.76Å; F1416-W1455 AromaticContact CE2-CE2 3.85Å; F1416-W1455 AromaticContact CE2-CE3 3.68Å; F1416-W1455 HydrophobicContact CE2-CE3 3.68Å; F1416-W1455 AromaticContact CE2-CH2 3.86Å; F1416-W1455 HydrophobicContact CE2-CH2 3.86Å; F1416-W1455 AromaticContact CE2-CZ2 3.93Å; F1416-W1455 HydrophobicContact CE2-CZ2 3.93Å; F1416-W1455 AromaticContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CE2-CZ3 3.73Å; F1416-W1455 HydrophobicContact CZ-CD2 4.41Å; F1416-W1455 HydrophobicContact CZ-CE3 4.03Å; F1416-W1455 HydrophobicContact CZ-CZ3 4.19Å; V1420-W1455 HydrophobicContact CG1-CB 3.77Å; V1420-W1455 HydrophobicContact CG1-CD2 4.31Å; V1420-W1455 HydrophobicContact CG1-CG 3.67Å; V1420-W1455 HydrophobicContact CG2-CD2 4.42Å; V1420-W1455 HydrophobicContact CG2-CG 4.13Å; R1451-W1455 WeakPolarHBondContact O-CB 3.31Å; R1451-W1455 PolarHBondContact O-N 3.19Å; H1453-W1455 VanDerWaalsContact C-N 3.32Å; H1453-W1455 PolarHBondContact O-N 3.29Å; W1455-Q1457 PolarHBondContact O-N 3.34Å; W1455-E1458 PolarHBondContact O-N 2.91Å; W1455-H1461 HydrophobicContact CD2-CB 4.26Å; W1455-H1461 AromaticContact CE2-CD2 3.96Å; W1455-H1461 HydrophobicContact CG-CB 4.37Å; W1455-H1461 AromaticContact CH2-CD2 3.66Å; W1455-H1461 HydrophobicContact CZ2-CB 4.21Å; W1455-H1461 AromaticContact CZ2-CD2 3.53Å; W1455-H1461 WeakPolarHBondContact CZ2-O 3.09Å; W1455-H1461 PolarHBondContact NE1-O 3.12Å; W1455-H1461 WeakPolarHBondContact O-CB 3.31Å; W1455-L1462 HydrophobicContact CH2-CD1 4.49Å; W1455-L1465 HydrophobicContact CH2-CD1 4.23Å; W1455-L1465 HydrophobicContact CZ2-CD1 3.4Å |
| 1456 | L | 93.2 | Very high | 90.5 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -15.7 | 174.2 | -80 | 175.2 | 0 | 0 | 0 | 114.7 | M1398 I1402 L1405 L1452 H1453 L1454 | M1398-L1456 HydrophobicContact CG-CD1 3.56Å; I1402-L1456 HydrophobicContact CD1-CD1 3.73Å; I1402-L1456 HydrophobicContact CD1-CD2 4.42Å; I1402-L1456 HydrophobicContact CD1-CG 3.81Å; I1402-L1456 HydrophobicContact CG1-CD1 3.72Å; I1402-L1456 HydrophobicContact CG1-CD2 3.83Å; I1402-L1456 HydrophobicContact CG1-CG 3.77Å; L1405-L1456 HydrophobicContact CD1-CD2 3.74Å; L1452-L1456 PolarHBondContact O-N 3.37Å; L1452-L1456 VanDerWaalsContact O-N 3.11Å; H1453-L1456 PolarHBondContact O-N 2.9Å; L1454-L1456 VanDerWaalsContact C-N 3.34Å; L1454-L1456 PolarHBondContact O-N 3.23Å |
| 1457 | Q | 91.2 | Very high | 90.1 | Very high | 113 Ų | 113 | 43.7 Ų | 43.7 | 53% | 0.528 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -88.1 | -12.7 | 179.8 | -74.9 | 171.7 | -33.5 | 0 | 0 | 113.2 | H1453 L1454 W1455 | H1453-Q1457 PolarHBondContact CE1-NE2 2.87Å; H1453-Q1457 PolarHBondContact NE2-NE2 3.29Å; H1453-Q1457 VanDerWaalsContact NE2-NE2 3.17Å; H1453-Q1457 WeakPolarHBondContact O-CG 3.48Å; H1453-Q1457 PolarHBondContact O-N 2.77Å; L1454-Q1457 WeakPolarHBondContact O-CB 3.24Å; L1454-Q1457 PolarHBondContact O-N 3.04Å; W1455-Q1457 PolarHBondContact O-N 3.34Å |
| 1458 | E | 87.8 | Confident | 89.6 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -85.6 | 135.1 | -179.9 | -70.9 | 177.9 | -109.4 | 0 | 0 | 110.8 | Y1375 W1455 D1460 H1461 | Y1375-E1458 WeakPolarHBondContact CE2-OE1 3.4Å; Y1375-E1458 WeakPolarHBondContact CE2-OE2 3.46Å; Y1375-E1458 PolarHBondContact OH-OE1 3.13Å; W1455-E1458 PolarHBondContact O-N 2.91Å; E1458-D1460 PolarHBondContact O-N 3.4Å; E1458-H1461 HydrophobicContact CB-CB 4.29Å; E1458-H1461 WeakPolarHBondContact O-CB 3.48Å; E1458-H1461 PolarHBondContact O-N 3.41Å; E1458-H1461 PolarHBondContact O-ND1 3.03Å |
| 1459 | P | 74.8 | Confident | 89.3 | Confident | 115 Ų | 115 | 44 Ų | 44 | 75% | 0.747 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -46.5 | -172.2 | 21.4 | -31.9 | 0 | 0 | 0 | 111.7 | ||
| 1460 | D | 83.9 | Confident | 88.6 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 57% | 0.567 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 29.6 | -175.6 | -56.7 | -70.1 | 0 | 0 | 0 | 113.1 | E1458 L1462 E1463 | E1458-D1460 PolarHBondContact O-N 3.4Å; D1460-L1462 PolarHBondContact O-N 3.13Å; D1460-E1463 HydrophobicContact CB-CB 4.23Å; D1460-E1463 PolarHBondContact O-N 2.87Å |
| 1461 | H | 86.6 | Confident | 87.8 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -28.5 | -179.3 | 62.3 | -95.4 | 0 | 0 | 0 | 114.7 | W1455 E1458 M1464 | W1455-H1461 HydrophobicContact CD2-CB 4.26Å; W1455-H1461 AromaticContact CE2-CD2 3.96Å; W1455-H1461 HydrophobicContact CG-CB 4.37Å; W1455-H1461 AromaticContact CH2-CD2 3.66Å; W1455-H1461 HydrophobicContact CZ2-CB 4.21Å; W1455-H1461 AromaticContact CZ2-CD2 3.53Å; W1455-H1461 WeakPolarHBondContact CZ2-O 3.09Å; W1455-H1461 PolarHBondContact NE1-O 3.12Å; W1455-H1461 WeakPolarHBondContact O-CB 3.31Å; E1458-H1461 HydrophobicContact CB-CB 4.29Å; E1458-H1461 WeakPolarHBondContact O-CB 3.48Å; E1458-H1461 PolarHBondContact O-N 3.41Å; E1458-H1461 PolarHBondContact O-ND1 3.03Å; H1461-M1464 WeakPolarHBondContact O-CE 3.35Å |
| 1462 | L | 90 | Very high | 86.8 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -26.7 | -179 | -157.5 | 82.7 | 0 | 0 | 0 | 113.7 | H1409 I1411 W1455 D1460 L1465 K1466 | H1409-L1462 HydrophobicContact CB-CD1 4.46Å; H1409-L1462 HydrophobicContact CB-CD2 4.23Å; H1409-L1462 WeakPolarHBondContact CD2-CD2 3.5Å; I1411-L1462 HydrophobicContact CD1-CD1 3.55Å; I1411-L1462 HydrophobicContact CD1-CG 4.05Å; W1455-L1462 HydrophobicContact CH2-CD1 4.49Å; D1460-L1462 PolarHBondContact O-N 3.13Å; L1462-L1465 PolarHBondContact O-N 2.93Å; L1462-K1466 PolarHBondContact O-N 3.37Å; L1462-K1466 VanDerWaalsContact O-N 3.09Å |
| 1463 | E | 87 | Confident | 85.3 | Confident | 107 Ų | 107 | 58 Ų | 58 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.1 | -46.3 | -173.5 | -172.1 | 177.1 | -126.5 | 0 | 0 | 111.6 | D1460 L1465 K1466 A1467 | D1460-E1463 HydrophobicContact CB-CB 4.23Å; D1460-E1463 PolarHBondContact O-N 2.87Å; E1463-L1465 PolarHBondContact O-N 3.28Å; E1463-L1465 VanDerWaalsContact O-N 3.15Å; E1463-K1466 CarbonylContact O-C 3.59Å; E1463-K1466 WeakPolarHBondContact O-CA 3.4Å; E1463-K1466 WeakPolarHBondContact O-CB 3.32Å; E1463-K1466 PolarHBondContact O-N 3.45Å; E1463-A1467 PolarHBondContact O-N 3.12Å |
| 1464 | M | 84.5 | Confident | 83.3 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -42.4 | -48.1 | 167.6 | 172.8 | -134.7 | -21 | 0 | 0 | 112.7 | Y1375 V1419 V1420 H1461 A1467 A1468 | Y1375-M1464 VanDerWaalsContact CB-CG 3.4Å; Y1375-M1464 HydrophobicContact CD1-CE 3.52Å; Y1375-M1464 HydrophobicContact CD1-SD 3.63Å; Y1375-M1464 HydrophobicContact CD2-CE 3.39Å; Y1375-M1464 HydrophobicContact CD2-SD 4.25Å; Y1375-M1464 HydrophobicContact CE1-CE 3.79Å; Y1375-M1464 HydrophobicContact CE1-SD 4.36Å; Y1375-M1464 HydrophobicContact CE2-CE 3.63Å; Y1375-M1464 HydrophobicContact CG-CB 4.44Å; Y1375-M1464 HydrophobicContact CG-CE 3.35Å; Y1375-M1464 HydrophobicContact CG-CG 3.95Å; Y1375-M1464 HydrophobicContact CG-SD 3.6Å; V1419-M1464 HydrophobicContact CB-SD 4.22Å; V1419-M1464 HydrophobicContact CG1-CG 4.29Å; V1419-M1464 HydrophobicContact CG1-SD 3.33Å; V1419-M1464 WeakPolarHBondContact CG1-SD 3.49Å; V1420-M1464 HydrophobicContact CG2-CE 3.99Å; V1420-M1464 HydrophobicContact CG2-SD 4.33Å; H1461-M1464 WeakPolarHBondContact O-CE 3.35Å; M1464-A1467 PolarHBondContact O-N 3.32Å; M1464-A1468 WeakPolarHBondContact O-CB 3.47Å; M1464-A1468 PolarHBondContact O-N 2.93Å |
| 1465 | L | 90.5 | Very high | 81 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.1 | -34.3 | -177.4 | -67.7 | 172.1 | 0 | 0 | 0 | 111.8 | I1411 L1415 F1416 V1419 V1420 W1455 L1462 E1463 Q1469 | I1411-L1465 HydrophobicContact CD1-CB 3.9Å; I1411-L1465 HydrophobicContact CD1-CD1 4.15Å; I1411-L1465 HydrophobicContact CG2-CB 4.19Å; I1411-L1465 HydrophobicContact CG2-CD1 4.23Å; L1415-L1465 HydrophobicContact CG-CD2 4.42Å; F1416-L1465 HydrophobicContact CD2-CD1 3.75Å; F1416-L1465 HydrophobicContact CE2-CD1 4.41Å; V1419-L1465 HydrophobicContact CB-CD2 4.32Å; V1420-L1465 HydrophobicContact CG2-CD1 4.5Å; V1420-L1465 HydrophobicContact CG2-CD2 4.26Å; W1455-L1465 HydrophobicContact CH2-CD1 4.23Å; W1455-L1465 HydrophobicContact CZ2-CD1 3.4Å; L1462-L1465 PolarHBondContact O-N 2.93Å; E1463-L1465 PolarHBondContact O-N 3.28Å; E1463-L1465 VanDerWaalsContact O-N 3.15Å; L1465-Q1469 WeakPolarHBondContact O-CB 3.47Å; L1465-Q1469 PolarHBondContact O-N 2.88Å |
| 1466 | K | 88.7 | Confident | 78.4 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 170.8 | -68 | 171.9 | -179.3 | 169.3 | 0 | 110.9 | L1462 E1463 Q1469 A1470 | L1462-K1466 PolarHBondContact O-N 3.37Å; L1462-K1466 VanDerWaalsContact O-N 3.09Å; E1463-K1466 CarbonylContact O-C 3.59Å; E1463-K1466 WeakPolarHBondContact O-CA 3.4Å; E1463-K1466 WeakPolarHBondContact O-CB 3.32Å; E1463-K1466 PolarHBondContact O-N 3.45Å; K1466-Q1469 PolarHBondContact O-N 2.99Å; K1466-A1470 WeakPolarHBondContact O-CB 3.32Å; K1466-A1470 PolarHBondContact O-N 3.02Å |
| 1467 | A | 86 | Confident | 75.3 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1463 M1464 Q1469 A1470 N1471 | E1463-A1467 PolarHBondContact O-N 3.12Å; M1464-A1467 PolarHBondContact O-N 3.32Å; A1467-Q1469 VanDerWaalsContact C-N 3.26Å; A1467-Q1469 PolarHBondContact O-N 2.97Å; A1467-A1470 PolarHBondContact O-N 3.29Å; A1467-N1471 WeakPolarHBondContact O-CB 3.39Å; A1467-N1471 VanDerWaalsContact O-CG 3.25Å; A1467-N1471 PolarHBondContact O-N 2.97Å; A1467-N1471 PolarHBondContact O-ND2 3.22Å |
| 1468 | A | 83.8 | Confident | 72.4 | Confident | 20 Ų | 20 | 76.9 Ų | 76.9 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -31.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1415 M1464 I1472 | L1415-A1468 HydrophobicContact CD1-CB 3.99Å; L1415-A1468 HydrophobicContact CD2-CB 4.31Å; M1464-A1468 WeakPolarHBondContact O-CB 3.47Å; M1464-A1468 PolarHBondContact O-N 2.93Å; A1468-I1472 WeakPolarHBondContact O-CG1 3.4Å; A1468-I1472 PolarHBondContact O-N 3.31Å |
| 1469 | Q | 86.1 | Confident | 69.6 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 15% | 0.145 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -76 | -36.1 | 175.2 | -167.3 | 176.2 | 10 | 0 | 0 | 112.5 | S1410 L1415 L1465 K1466 A1467 I1472 K1473 | S1410-Q1469 PolarHBondContact O-NE2 2.79Å; L1415-Q1469 HydrophobicContact CD2-CB 3.63Å; L1415-Q1469 HydrophobicContact CD2-CG 4.23Å; L1465-Q1469 WeakPolarHBondContact O-CB 3.47Å; L1465-Q1469 PolarHBondContact O-N 2.88Å; K1466-Q1469 PolarHBondContact O-N 2.99Å; A1467-Q1469 VanDerWaalsContact C-N 3.26Å; A1467-Q1469 PolarHBondContact O-N 2.97Å; Q1469-I1472 PolarHBondContact O-N 3.17Å; Q1469-K1473 VanDerWaalsContact O-CG 3.28Å; Q1469-K1473 WeakPolarHBondContact O-CG 3.33Å; Q1469-K1473 PolarHBondContact O-N 3.46Å; Q1469-K1473 VanDerWaalsContact O-N 3.1Å |
| 1470 | A | 82.4 | Confident | 67.4 | Low | 47 Ų | 47 | 78.2 Ų | 78.2 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K1466 A1467 I1472 K1473 T1474 | K1466-A1470 WeakPolarHBondContact O-CB 3.32Å; K1466-A1470 PolarHBondContact O-N 3.02Å; A1467-A1470 PolarHBondContact O-N 3.29Å; A1470-I1472 VanDerWaalsContact C-N 3.27Å; A1470-I1472 PolarHBondContact O-N 2.95Å; A1470-K1473 WeakPolarHBondContact O-CA 3.22Å; A1470-K1473 WeakPolarHBondContact O-CB 3.47Å; A1470-K1473 PolarHBondContact O-N 2.65Å; A1470-T1474 PolarHBondContact O-N 3.35Å; A1470-T1474 PolarHBondContact O-OG1 3.06Å |
| 1471 | N | 78.1 | Confident | 64.8 | Low | 77 Ų | 77 | 80.5 Ų | 80.5 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.4 | -36 | 174.6 | -79.5 | -11.6 | 0 | 0 | 0 | 113.7 | I1259 A1467 T1474 | I1259-N1471 HydrophobicContact CD1-CB 3.37Å; I1259-N1471 HydrophobicContact CG1-CB 4.26Å; A1467-N1471 WeakPolarHBondContact O-CB 3.39Å; A1467-N1471 VanDerWaalsContact O-CG 3.25Å; A1467-N1471 PolarHBondContact O-N 2.97Å; A1467-N1471 PolarHBondContact O-ND2 3.22Å; N1471-T1474 PolarHBondContact O-OG1 2.79Å |
| 1472 | I | 72.9 | Confident | 62.2 | Low | 72 Ų | 72 | 85.5 Ų | 85.5 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79 | -30.5 | 174.6 | -67.5 | 167 | 0 | 0 | 0 | 112 | L1415 A1468 Q1469 A1470 T1476 | L1415-I1472 HydrophobicContact CD1-CD1 3.68Å; A1468-I1472 WeakPolarHBondContact O-CG1 3.4Å; A1468-I1472 PolarHBondContact O-N 3.31Å; Q1469-I1472 PolarHBondContact O-N 3.17Å; A1470-I1472 VanDerWaalsContact C-N 3.27Å; A1470-I1472 PolarHBondContact O-N 2.95Å; I1472-T1476 PolarHBondContact O-OG1 3.08Å |
| 1473 | K | 62.2 | Low | 59.4 | Low | 128 Ų | 128 | 93.3 Ų | 93.3 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.5 | -39 | 177 | -75.4 | 167.3 | 177 | 174.2 | 0 | 112.3 | Q1469 A1470 F1475 T1476 | Q1469-K1473 VanDerWaalsContact O-CG 3.28Å; Q1469-K1473 WeakPolarHBondContact O-CG 3.33Å; Q1469-K1473 PolarHBondContact O-N 3.46Å; Q1469-K1473 VanDerWaalsContact O-N 3.1Å; A1470-K1473 WeakPolarHBondContact O-CA 3.22Å; A1470-K1473 WeakPolarHBondContact O-CB 3.47Å; A1470-K1473 PolarHBondContact O-N 2.65Å; K1473-F1475 PolarHBondContact O-N 3.34Å; K1473-T1476 PolarHBondContact O-N 2.79Å; K1473-T1476 PolarHBondContact O-OG1 3.42Å |
| 1474 | T | 52.4 | Low | 56.5 | Low | 94 Ų | 94 | 94.9 Ų | 94.9 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 177.4 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | A1470 N1471 T1476 | A1470-T1474 PolarHBondContact O-N 3.35Å; A1470-T1474 PolarHBondContact O-OG1 3.06Å; N1471-T1474 PolarHBondContact O-OG1 2.79Å; T1474-T1476 PolarHBondContact O-N 3.3Å |
| 1475 | F | 46.6 | Very low | 53.9 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 3.6 | 176.9 | -87.7 | -83 | 0 | 0 | 0 | 115.9 | I1258 I1259 K1473 | I1258-F1475 HydrophobicContact CB-CB 4.49Å; I1258-F1475 HydrophobicContact CB-CD1 3.83Å; I1258-F1475 HydrophobicContact CB-CE1 4.26Å; I1258-F1475 HydrophobicContact CB-CG 4.1Å; I1258-F1475 HydrophobicContact CD1-CD1 4.33Å; I1258-F1475 HydrophobicContact CG2-CD1 3.49Å; I1258-F1475 VanDerWaalsContact CG2-CD1 3.49Å; I1258-F1475 HydrophobicContact CG2-CE1 3.41Å; I1258-F1475 VanDerWaalsContact CG2-CE1 3.41Å; I1258-F1475 HydrophobicContact CG2-CG 4.15Å; I1258-F1475 HydrophobicContact CG2-CZ 4.02Å; I1258-F1475 WeakPolarHBondContact O-CD2 3.42Å; I1258-F1475 VanDerWaalsContact O-CG 3.26Å; I1258-F1475 WeakPolarHBondContact O-CG 3.34Å; I1259-F1475 HydrophobicContact CD1-CD2 4.28Å; I1259-F1475 HydrophobicContact CD1-CE2 4.18Å; I1259-F1475 HydrophobicContact CG1-CD2 3.79Å; I1259-F1475 HydrophobicContact CG1-CE2 3.73Å; K1473-F1475 PolarHBondContact O-N 3.34Å |
| 1476 | T | 37.6 | Very low | 50.8 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 64% | 0.638 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 7.3 | 178.5 | 43 | 0 | 0 | 0 | 0 | 115.1 | I1472 K1473 T1474 | I1472-T1476 PolarHBondContact O-OG1 3.08Å; K1473-T1476 PolarHBondContact O-N 2.79Å; K1473-T1476 PolarHBondContact O-OG1 3.42Å; T1474-T1476 PolarHBondContact O-N 3.3Å |
| 1477 | R | 29.1 | Very low | 47.9 | Very low | 190 Ų | 190 | 108.5 Ų | 108.5 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | trans | -96.2 | 116.7 | 175.3 | -147.1 | -178.9 | -160.6 | -134.5 | 12.5 | 111.3 | N1479 | R1477-N1479 VanDerWaalsContact C-N 3.34Å; R1477-N1479 PolarHBondContact NH1-OD1 2.91Å; R1477-N1479 PolarHBondContact O-N 2.85Å | ||
| 1478 | P | 29.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 114.2 Ų | 114.2 | 78% | 0.779 | 61% | 0.612 | S | S | * | * | trans | -77.1 | 85.9 | 171.5 | 31.6 | -32.6 | 0 | 0 | 0 | 109.3 | S1480 | P1478-S1480 PolarHBondContact O-N 3.05Š| ||
| 1479 | N | 29.9 | Very low | 42.6 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -72.2 | 88.5 | 178 | -107.5 | 26.8 | 0 | 0 | 0 | 110.7 | R1477 | R1477-N1479 VanDerWaalsContact C-N 3.34Å; R1477-N1479 PolarHBondContact NH1-OD1 2.91Å; R1477-N1479 PolarHBondContact O-N 2.85Å | ||
| 1480 | S | 28.9 | Very low | 39.9 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | trans | -76.1 | 139.2 | 154.2 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | P1478 | P1478-S1480 PolarHBondContact O-N 3.05Š| ||
| 1481 | N | 27.6 | Very low | 37.2 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | trans | 66.8 | 86.4 | 173.5 | -54.3 | -21.9 | 0 | 0 | 0 | 117.2 | ||||
| 1482 | V | 32.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | -133.1 | 136.7 | 122.6 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 1483 | K | 32.2 | Very low | 32.7 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -98.9 | 134.6 | 170.7 | -111.5 | -172.3 | 176.9 | -177.3 | 0 | 108.6 | ||||
| 1484 | I | 26.2 | Very low | 31 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | 49.6 | 105.8 | 151 | -38 | 168.8 | 0 | 0 | 0 | 116 | ||||
| 1485 | I | 29 | Very low | 30.1 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | -172.2 | 115.2 | 104.9 | -84.4 | 157.2 | 0 | 0 | 0 | 105.8 | |||||
| 1486 | Q | 25.9 | Very low | 29.3 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -152.9 | 106.2 | 157.2 | -144.4 | 169.9 | 3.2 | 0 | 0 | 107 | ||||
| 1487 | G | 28.2 | Very low | 28.9 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -69.9 | 131.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1488 | H | 28.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -69.6 | 161.1 | 143.7 | -70.2 | -150.2 | 0 | 0 | 0 | 106.3 | ||||
| 1489 | E | 29.9 | Very low | 29 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | -144.4 | 144.6 | 77.8 | -86.9 | 157.3 | -163.4 | 0 | 0 | 112.7 | |||||
| 1490 | T | 29.2 | Very low | 28.8 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | -89.7 | 134 | 166.2 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1491 | S | 24.3 | Very low | 28.8 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -42.2 | 145.1 | -176.5 | -45 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1492 | T | 30.3 | Very low | 28.8 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | trans | -122.1 | 145.3 | 154.4 | -48.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1493 | I | 26.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -110.8 | 135.3 | -168.5 | -63.6 | 168.7 | 0 | 0 | 0 | 111.6 | ||||
| 1494 | Q | 27.2 | Very low | 28.4 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | 177 | 141.7 | 137.5 | -96.3 | 166.5 | 16.2 | 0 | 0 | 106.8 | ||||
| 1495 | H | 32.5 | Very low | 28.5 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 43% | 0.426 | 73% | 0.728 | S | S | . | * | cis | -166.2 | 177.1 | 41.2 | -133.7 | -61 | 0 | 0 | 0 | 110.4 | H1132 | H1132-H1495 VanDerWaalsContact CE1-CB 3.49Å; H1132-H1495 WeakPolarHBondContact CE1-CB 3.36Å; H1132-H1495 AromaticContact CE1-CD2 3.5Å; H1132-H1495 AromaticContact CE1-CG 3.45Å; H1132-H1495 VanDerWaalsContact CE1-CG 3.45Å; H1132-H1495 AromaticContact CE1-ND1 3.96Å; H1132-H1495 PolarHBondContact N-CE1 2.95Å; H1132-H1495 AromaticContact ND1-CD2 3.14Å; H1132-H1495 PolarHBondContact ND1-CD2 2.84Å; H1132-H1495 AromaticContact ND1-CE1 3.41Å; H1132-H1495 PolarHBondContact ND1-CE1 2.86Å; H1132-H1495 AromaticContact ND1-CG 3.3Å; H1132-H1495 VanDerWaalsContact ND1-CG 3.3Å; H1132-H1495 AromaticContact ND1-ND1 3.46Å; H1132-H1495 PolarHBondContact ND1-ND1 3.18Å; H1132-H1495 AromaticContact ND1-NE2 3.16Å; H1132-H1495 PolarHBondContact ND1-NE2 3.42Å; H1132-H1495 VanDerWaalsContact ND1-NE2 3.16Å | ||
| 1496 | Q | 30.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 44% | 0.435 | 72% | 0.72 | S | S | . | * | trans | 82 | 108.1 | 154.5 | -144.3 | 89.8 | 151.9 | 0 | 0 | 118.4 | V1131 H1132 | V1131-Q1496 HydrophobicContact CG2-CG 4.35Å; H1132-Q1496 VanDerWaalsContact CD2-CD 3.45Å; H1132-Q1496 PolarHBondContact CD2-NE2 3.45Å; H1132-Q1496 PolarHBondContact CD2-OE1 2.94Å; H1132-Q1496 PolarHBondContact CE1-NE2 2.84Å; H1132-Q1496 PolarHBondContact ND1-NE2 3.47Å; H1132-Q1496 PolarHBondContact NE2-NE2 3.43Å | ||
| 1497 | Q | 28.5 | Very low | 28.6 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 51% | 0.514 | 71% | 0.706 | S | S | . | * | trans | -91.7 | 163 | 143.8 | 88.6 | -104.3 | 23.3 | 0 | 0 | 108.8 | D1129 T1130 | D1129-Q1497 PolarHBondContact OD1-NE2 3.33Å; T1130-Q1497 HydrophobicContact CG2-CB 4.12Å; T1130-Q1497 VanDerWaalsContact CG2-CD 3.46Å; T1130-Q1497 HydrophobicContact CG2-CG 3.64Å; T1130-Q1497 WeakPolarHBondContact CG2-O 3.36Å; T1130-Q1497 VanDerWaalsContact CG2-OE1 3.3Å; T1130-Q1497 VanDerWaalsContact OG1-CG 3.27Å; T1130-Q1497 WeakPolarHBondContact OG1-CG 3.27Å; T1130-Q1497 PolarHBondContact OG1-NE2 2.91Å; T1130-Q1497 VanDerWaalsContact OG1-NE2 3.09Å | ||
| 1498 | Q | 29.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 50% | 0.5 | 70% | 0.695 | S | S | . | * | 176.6 | 134.4 | 75.3 | -168.5 | -172.9 | 5.9 | 0 | 0 | 108.3 | D1129 | D1129-Q1498 PolarHBondContact OD2-NE2 3.47Š| |||
| 1499 | Q | 32.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | 167.9 | 150.8 | 133.2 | -95.2 | -176.9 | -4.3 | 0 | 0 | 111.8 | ||||
| 1500 | T | 25 | Very low | 28.2 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 77% | 0.767 | 68% | 0.675 | S | S | * | * | trans | -79.1 | 163.9 | 170 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1501 | T | 29.4 | Very low | 28.3 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | -158.6 | 162 | 51.1 | 42.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1502 | D | 25.9 | Very low | 28.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | 47.8 | 102.8 | 143 | -51.8 | -17.1 | 0 | 0 | 0 | 121 | ||||
| 1503 | L | 30.3 | Very low | 28.7 | Very low | 172 Ų | 172 | 126 Ų | 126 | 90% | 0.901 | 65% | 0.649 | S | S | * | * | -176 | 133.7 | 92 | -95.1 | 165.9 | 0 | 0 | 0 | 114.8 | |||||
| 1504 | S | 27.8 | Very low | 28.8 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -34.3 | 131.7 | 179.8 | -56.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1505 | S | 28.1 | Very low | 28.9 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | 86.3 | 116 | 113.4 | -63.9 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1506 | E | 28.4 | Very low | 28.7 | Very low | 139 Ų | 139 | 125 Ų | 125 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | 86.1 | 107 | 114.3 | -63.9 | -114.3 | 120.7 | 0 | 0 | 124.7 | N1362 | N1362-E1506 VanDerWaalsContact O-O 3.11Š| |||
| 1507 | Y | 28.1 | Very low | 28.6 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 57% | 0.573 | 68% | 0.68 | S | S | * | * | 80.4 | 106.3 | 122.9 | -81.1 | -90.7 | 0 | 0 | 0 | 126.6 | N1362 N1363 | N1362-Y1507 CarbonylContact C-O 3.57Å; N1362-Y1507 VanDerWaalsContact C-O 3.29Å; N1363-Y1507 VanDerWaalsContact C-C 3.48Å; N1363-Y1507 PolarHBondContact N-O 3.08Å; N1363-Y1507 CarbonylContact O-C 3.56Å; N1363-Y1507 WeakPolarHBondContact O-CA 3.5Å; N1363-Y1507 PolarHBondContact O-N 3.38Å | |||
| 1508 | L | 26.5 | Very low | 28.6 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 48% | 0.476 | 69% | 0.689 | S | S | . | * | B | Isolated β-bridge | trans | 77 | 177.8 | 146.7 | -78.8 | 172 | 0 | 0 | 0 | 123.7 | N1362 N1363 | N1362-L1508 CarbonylContact C-O 3.54Å; N1363-L1508 PolarHBondContact N-O 3.38Å; N1363-L1508 PolarHBondContact O-N 3.16Å |
| 1509 | L | 26.1 | Very low | 28.5 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 65% | 0.654 | 69% | 0.691 | S | S | * | * | trans | -114.3 | 143.7 | -139.1 | -79.1 | 161 | 0 | 0 | 0 | 115.3 | ||||
| 1510 | S | 25.4 | Very low | 28.3 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | 71 | 113.5 | 133.5 | -174.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1511 | I | 30.4 | Very low | 28.5 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | trans | 64.4 | 132.1 | 136.3 | -61.6 | 175.8 | 0 | 0 | 0 | 117.8 | ||||
| 1512 | R | 32.4 | Very low | 28.7 | Very low | 200 Ų | 200 | 120.5 Ų | 120.5 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | cis | -159.1 | 176.3 | -2.1 | -128.5 | 179.7 | -177.5 | 169 | -0.3 | 108.8 | ||||
| 1513 | P | 31.7 | Very low | 28.8 | Very low | 61 Ų | 61 | 120.5 Ų | 120.5 | 40% | 0.396 | 66% | 0.662 | S | S | . | * | -147 | 179.1 | 117.3 | 38 | -22.9 | 0 | 0 | 0 | 116.2 | N1357 | N1357-P1513 HydrophobicContact CB-CB 3.72Å; N1357-P1513 HydrophobicContact CB-CG 4.32Å | |||
| 1514 | E | 28.5 | Very low | 28.8 | Very low | 185 Ų | 185 | 118.9 Ų | 118.9 | 86% | 0.864 | 65% | 0.653 | S | S | * | * | trans | -88.4 | 166.4 | 171.6 | -46.8 | -176.1 | 137.2 | 0 | 0 | 110.3 | ||||
| 1515 | S | 28.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | cis | -146 | -154.6 | 18.9 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1516 | S | 28.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | cis | -160.3 | 168.2 | 8.3 | 22.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1517 | D | 28.4 | Very low | 29.4 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | trans | 45.4 | 109.3 | 152.4 | -60.6 | -36.4 | 0 | 0 | 0 | 124.6 | ||||
| 1518 | V | 28.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | 79.3 | 101.1 | 122.7 | 178.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1519 | I | 27.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 53% | 0.533 | 68% | 0.68 | S | S | . | * | trans | 78.4 | 84.7 | 137.8 | -67.8 | 177.4 | 0 | 0 | 0 | 119.3 | S1530 | I1519-S1530 VanDerWaalsContact CG2-OG 3.23Å; I1519-S1530 WeakPolarHBondContact CG2-OG 3.39Å; I1519-S1530 PolarHBondContact O-OG 3.21Å | ||
| 1520 | I | 28.5 | Very low | 29.9 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | 69.5 | 155.3 | 125.9 | -61.1 | 162.6 | 0 | 0 | 0 | 114.5 | H1529 | I1520-H1529 VanDerWaalsContact O-CA 3.25Å; I1520-H1529 WeakPolarHBondContact O-CA 3.39Å; I1520-H1529 PolarHBondContact O-N 3.15Å; I1520-H1529 PolarHBondContact O-ND1 2.67Å | |||
| 1521 | S | 28.6 | Very low | 30.1 | Very low | 65 Ų | 65 | 125 Ų | 125 | 46% | 0.455 | 66% | 0.661 | S | S | . | * | cis | -135.6 | -176.2 | 24.8 | -140.4 | 0 | 0 | 0 | 0 | 115.8 | H1529 | S1521-H1529 VanDerWaalsContact CB-C 3.46Š| ||
| 1522 | S | 35.1 | Very low | 30.2 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | -118 | 106 | 164.9 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1523 | D | 28 | Very low | 30.1 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | -153.9 | 169.8 | 128.7 | -142.6 | -31.2 | 0 | 0 | 0 | 110 | |||||
| 1524 | L | 28.5 | Very low | 30.1 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 40.6 | 97 | 164.9 | -67.4 | 170.7 | 0 | 0 | 0 | 117.3 | S1526 | L1524-S1526 CarbonylContact O-C 3.54Å; L1524-S1526 PolarHBondContact O-N 3.31Å |
| 1525 | R | 37.5 | Very low | 30.2 | Very low | 247 Ų | 247 | 118.5 Ų | 118.5 | 93% | 0.932 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 43.4 | 58.8 | 136.4 | -165.6 | 176.9 | 172.8 | 173.9 | -3 | 114.7 | ||
| 1526 | S | 29.2 | Very low | 30.3 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 79.8 | 128.7 | -175.4 | 82.1 | 0 | 0 | 0 | 0 | 116.5 | L1524 | L1524-S1526 CarbonylContact O-C 3.54Å; L1524-S1526 PolarHBondContact O-N 3.31Å |
| 1527 | K | 31.4 | Very low | 30.5 | Very low | 173 Ų | 173 | 120.9 Ų | 120.9 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | 88.4 | 117.8 | 162.9 | -57.9 | 176.2 | 179.7 | 178.6 | 0 | 119.2 | ||||
| 1528 | Q | 31.1 | Very low | 30.7 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | trans | 91.1 | 125.1 | 135.6 | -68.3 | 171.9 | -45 | 0 | 0 | 123 | ||||
| 1529 | H | 30.3 | Very low | 30.8 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | 56 | 106.6 | 132.6 | -56.4 | -44.2 | 0 | 0 | 0 | 125.6 | I1520 S1521 | I1520-H1529 VanDerWaalsContact O-CA 3.25Å; I1520-H1529 WeakPolarHBondContact O-CA 3.39Å; I1520-H1529 PolarHBondContact O-N 3.15Å; I1520-H1529 PolarHBondContact O-ND1 2.67Å; S1521-H1529 VanDerWaalsContact CB-C 3.46Å | ||
| 1530 | S | 30.4 | Very low | 31 | Very low | 48 Ų | 48 | 119.2 Ų | 119.2 | 34% | 0.336 | 68% | 0.681 | S | S | . | * | 68.6 | 83.7 | 118.4 | -45.1 | 0 | 0 | 0 | 0 | 123.5 | I1519 | I1519-S1530 VanDerWaalsContact CG2-OG 3.23Å; I1519-S1530 WeakPolarHBondContact CG2-OG 3.39Å; I1519-S1530 PolarHBondContact O-OG 3.21Å | |||
| 1531 | S | 29.7 | Very low | 31.5 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | trans | 60.8 | 141.9 | 135.9 | -62 | 0 | 0 | 0 | 0 | 123 | ||||
| 1532 | S | 32.5 | Very low | 31.7 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 62.9 | 155.9 | 158.2 | 48.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1533 | S | 29.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | cis | -178 | 160.3 | -33 | -101.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1534 | I | 30.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 74.9 | 113.3 | 163.5 | -60.7 | 152.5 | 0 | 0 | 0 | 119.3 | I1536 | I1534-I1536 HydrophobicContact CG2-CD1 4.06Š| ||
| 1535 | A | 32.2 | Very low | 32.5 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 166.1 | 104.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1536 | I | 30.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | 58.1 | 114.3 | 59.5 | -44.5 | 177.1 | 0 | 0 | 0 | 109.3 | I1534 | I1534-I1536 HydrophobicContact CG2-CD1 4.06Š| |||
| 1537 | T | 31.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | -168.5 | 142.9 | 71.6 | -44.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1538 | T | 32.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 56.8 | 148.1 | 160.7 | 43.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1539 | A | 32.2 | Very low | 32.9 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | cis | -164.9 | 152.3 | -12.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1540 | T | 31.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 61.9 | 150.3 | 148.6 | 50.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1541 | T | 37.8 | Very low | 33 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | 71 | 112.1 | 171.2 | 66 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1542 | T | 33.4 | Very low | 33.1 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -131.8 | 177.5 | -174.7 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1543 | T | 34.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | 86.2 | 150.3 | -175.2 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1544 | P | 40.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -143.4 | 135.8 | 33 | 39.5 | -18.5 | 0 | 0 | 0 | 120.3 | ||||
| 1545 | S | 34.6 | Very low | 32.7 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | 177 | 145.7 | 143.9 | -85.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1546 | R | 35.9 | Very low | 32.9 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -143.4 | 106.2 | 13.5 | -177.7 | -171.6 | -168.2 | -166.7 | 5.1 | 111.6 | ||
| 1547 | K | 34.7 | Very low | 32.7 | Very low | 189 Ų | 189 | 131 Ų | 131 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 50.2 | 109.3 | 159.3 | -65.2 | -175.3 | 176.8 | -178.7 | 0 | 121 | ||||
| 1548 | R | 32.6 | Very low | 32.5 | Very low | 231 Ų | 231 | 131.2 Ų | 131.2 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | 61.6 | 141.8 | 128.4 | -63.8 | -169.9 | 176 | 173.8 | -2.7 | 119.4 | |||||
| 1549 | T | 33.6 | Very low | 32.3 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | cis | -161.4 | 161.1 | 1.4 | 9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1550 | P | 33.9 | Very low | 32.2 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -102.1 | -175.7 | -178.5 | 40.8 | -35.6 | 0 | 0 | 0 | 114.7 | ||||
| 1551 | S | 29.8 | Very low | 31.8 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | 92 | 146.2 | 151 | 81.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1552 | L | 31.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 59.1 | 111.2 | 151.4 | -63.8 | 161.9 | 0 | 0 | 0 | 117.6 | ||||
| 1553 | S | 26.5 | Very low | 31.3 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | 90.2 | 150.4 | 63.2 | 74.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1554 | S | 31.1 | Very low | 31 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 59.2 | 104.8 | 170.8 | 49.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1555 | S | 26.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 18 | 152.8 | 114.7 | -51.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 1556 | P | 35.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | cis | -148.7 | 173.7 | 30.9 | 40.8 | -19.5 | 0 | 0 | 0 | 120 | ||||
| 1557 | S | 26.3 | Very low | 30 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | 64.6 | 123.3 | 139.3 | 62.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1558 | S | 27.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | 75.1 | 162.9 | 141.3 | 83.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1559 | S | 29.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | -149 | 177.6 | 14.3 | 68.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1560 | L | 28.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 119.2 Ų | 119.2 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -41.6 | 158 | 166.3 | -75.6 | 69.2 | 0 | 0 | 0 | 114.2 | ||||
| 1561 | C | 25.1 | Very low | 29.8 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 66% | 0.655 | 73% | 0.725 | S | S | * | * | cis | 69.8 | 116.3 | 49.6 | -170.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1562 | N | 31.4 | Very low | 29.6 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | trans | 64.9 | 123.6 | 157.9 | -65.6 | 2.2 | 0 | 0 | 0 | 123 | ||||
| 1563 | Q | 29.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 120 Ų | 120 | 51% | 0.514 | 72% | 0.718 | S | S | . | * | trans | 56.8 | 110.5 | 130.4 | -70.2 | 178.7 | -97.6 | 0 | 0 | 122.9 | ||||
| 1564 | E | 27 | Very low | 29.6 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | 75.4 | 149.4 | 119.9 | -66.6 | 178.6 | 120.2 | 0 | 0 | 122.5 | |||||
| 1565 | T | 31.2 | Very low | 29.6 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | 67.5 | 152.5 | 175.2 | 69.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1566 | L | 27.7 | Very low | 29.8 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | -172 | 156.7 | -54.2 | -110.8 | 166.7 | 0 | 0 | 0 | 107.4 | |||||
| 1567 | I | 30.6 | Very low | 30.1 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | 74.5 | 108.8 | 154.1 | -68.1 | 160.4 | 0 | 0 | 0 | 118.7 | ||||
| 1568 | N | 30.1 | Very low | 30.5 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 66.1 | 87.6 | 138.5 | -58.4 | -0.7 | 0 | 0 | 0 | 122.2 | ||||
| 1569 | S | 28.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | 20.9 | 136.6 | 108.2 | -40 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1570 | P | 37.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -107.2 | 149.5 | 138.9 | -5.9 | 26.2 | 0 | 0 | 0 | 113.1 | ||||
| 1571 | I | 35.2 | Very low | 30.7 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | 56.6 | 93.5 | 133.8 | -59.9 | 172.2 | 0 | 0 | 0 | 114.9 | ||||
| 1572 | S | 25.8 | Very low | 30.9 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | 53.5 | 118.3 | 42 | -145.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1573 | N | 25.4 | Very low | 30.7 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | cis | -178.4 | -164.8 | 23.9 | -152.9 | -61 | 0 | 0 | 0 | 107.4 | ||||
| 1574 | K | 31.8 | Very low | 30.7 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 74% | 0.735 | 75% | 0.747 | S | S | * | * | trans | 69.6 | 145.8 | 148.1 | -72.5 | 158.3 | -169.2 | 176.6 | 0 | 116.8 | ||||
| 1575 | N | 32.5 | Very low | 30.9 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | cis | -128.8 | 147.6 | 11.7 | -95.4 | -44.4 | 0 | 0 | 0 | 114.1 | ||||
| 1576 | S | 30.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -26.2 | 123.3 | 158.7 | 50.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1577 | K | 41.1 | Very low | 30.8 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | -118.5 | 142.4 | 129.4 | -86.4 | -172.1 | 175.6 | 179.1 | 0 | 110.5 | |||||
| 1578 | L | 34.5 | Very low | 30.9 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -7.4 | 139.3 | 151.2 | -62.8 | 85.8 | 0 | 0 | 0 | 116 | ||
| 1579 | L | 31.1 | Very low | 30.9 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | cis | -126.1 | 159.3 | 11.7 | -79.5 | 170.7 | 0 | 0 | 0 | 113.9 | ||||
| 1580 | K | 27.4 | Very low | 31.5 | Very low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -135.7 | 165.2 | 174.2 | -165.2 | -172.5 | -175.5 | -177.9 | 0 | 105.5 | ||||
| 1581 | I | 32.5 | Very low | 31.2 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | 73.3 | 150.5 | 171.4 | -55 | 159.5 | 0 | 0 | 0 | 113 | ||||
| 1582 | D | 28.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 60% | 0.599 | 74% | 0.743 | S | S | * | * | cis | -163.6 | 175.6 | -41 | -162.3 | 9.5 | 0 | 0 | 0 | 107.7 | ||||
| 1583 | K | 26.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 142 Ų | 142 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | -21.2 | 127.5 | 169 | -58.2 | 152.5 | -161.2 | 73.2 | 0 | 116.2 | ||||
| 1584 | S | 28.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | -167.6 | 136.7 | 114.7 | 48 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1585 | Q | 31.3 | Very low | 31.6 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 53.5 | 129.8 | 136.7 | -67.6 | -172.5 | 5.4 | 0 | 0 | 123.7 | ||||
| 1586 | I | 29.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 144 Ų | 144 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | 81.1 | 107.7 | 128.1 | -68 | 172.8 | 0 | 0 | 0 | 120.1 | |||||
| 1587 | I | 27.9 | Very low | 31.3 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 42.4 | 110.7 | 134.9 | -38.5 | 172.1 | 0 | 0 | 0 | 119 | ||||
| 1588 | L | 32.5 | Very low | 31 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | 177.1 | 147 | 112.1 | -92.7 | 173.9 | 0 | 0 | 0 | 111.4 | |||||
| 1589 | S | 30.6 | Very low | 30.6 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -95.9 | 165.2 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1590 | P | 42.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | -143.9 | 160.6 | 96.1 | 37.9 | -23.8 | 0 | 0 | 0 | 116.7 | |||||
| 1591 | N | 30.6 | Very low | 30.6 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -12.5 | 147.3 | 153 | -62.4 | -1.7 | 0 | 0 | 0 | 117.1 | ||||
| 1592 | N | 32.7 | Very low | 30.5 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | cis | -164 | -177.8 | 7.9 | -115.2 | -7.7 | 0 | 0 | 0 | 108.2 | ||||
| 1593 | N | 34.2 | Very low | 30.4 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | cis | -160.3 | 146.5 | 3.6 | -127.6 | -8.3 | 0 | 0 | 0 | 106.4 | ||||
| 1594 | N | 31.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | cis | -156.5 | 125.7 | -32.4 | -137.1 | -27.6 | 0 | 0 | 0 | 108 | ||||
| 1595 | N | 27.1 | Very low | 30.5 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -159.2 | 62.2 | -175.1 | -146.5 | -6.7 | 0 | 0 | 0 | 114.8 | ||||
| 1596 | K | 30 | Very low | 30.5 | Very low | 183 Ų | 183 | 139 Ų | 139 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -167.9 | 142.3 | 164.9 | -99.3 | 172.8 | -179.2 | 178 | 0 | 106.3 | ||||
| 1597 | I | 27.5 | Very low | 30.4 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | 71.2 | 92.5 | 55.7 | -54.2 | 176.6 | 0 | 0 | 0 | 114.5 | |||||
| 1598 | K | 34.9 | Very low | 30.3 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 56.3 | 125.4 | 145.5 | -62.7 | -173.4 | 176.2 | -173.6 | 0 | 122.6 | ||||
| 1599 | N | 26 | Very low | 30.4 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | 179.3 | 160.7 | 133.4 | -85.3 | -18.7 | 0 | 0 | 0 | 107.3 | ||||
| 1600 | A | 30.1 | Very low | 30.7 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | -121.3 | 159.3 | 8.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1601 | S | 28.7 | Very low | 30.1 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | cis | 76.7 | 133.8 | 46 | -55 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1602 | I | 28.8 | Very low | 30.4 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | cis | -157.5 | 154.7 | 16.5 | -132.8 | 160.7 | 0 | 0 | 0 | 114.2 | ||||
| 1603 | N | 26.9 | Very low | 30.8 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 69.6 | 137.7 | 160.6 | -68.6 | -0.3 | 0 | 0 | 0 | 124.5 | ||||
| 1604 | N | 26.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | 62 | 92.4 | 146.6 | -62.4 | 3.6 | 0 | 0 | 0 | 122 | ||||
| 1605 | S | 31.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | 172.1 | 155.1 | 108.5 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1606 | Q | 31.3 | Very low | 35.1 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | 50.9 | 122.6 | 169.2 | -70.6 | 163.1 | -23.6 | 0 | 0 | 118 | ||||
| 1607 | I | 26.9 | Very low | 36.9 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | cis | 80.3 | 109.1 | 26.5 | -48.9 | 174.6 | 0 | 0 | 0 | 114.7 | ||||
| 1608 | A | 26.3 | Very low | 39 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | trans | 63.5 | 169.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1609 | P | 34.1 | Very low | 41 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | cis | -104.4 | 179.2 | -17.7 | -2.4 | 26.3 | 0 | 0 | 0 | 111.7 | D1611 | P1609-D1611 HydrophobicContact CB-CB 4.01Å; P1609-D1611 WeakPolarHBondContact CB-OD2 3.4Å; P1609-D1611 VanDerWaalsContact CG-OD2 3.27Å; P1609-D1611 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 1610 | I | 36.8 | Very low | 43.2 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 54% | 0.544 | 64% | 0.637 | S | S | . | * | cis | 64 | 47.1 | 3.5 | -37.9 | 178.4 | 0 | 0 | 0 | 116.5 | ||||
| 1611 | D | 30 | Very low | 45.4 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | trans | -152.4 | 108.3 | 162.6 | -73.2 | -58 | 0 | 0 | 0 | 104.1 | P1609 | P1609-D1611 HydrophobicContact CB-CB 4.01Å; P1609-D1611 WeakPolarHBondContact CB-OD2 3.4Å; P1609-D1611 VanDerWaalsContact CG-OD2 3.27Å; P1609-D1611 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 1612 | H | 36.4 | Very low | 47.7 | Very low | 184 Ų | 184 | 120.4 Ų | 120.4 | 85% | 0.852 | 63% | 0.626 | S | S | * | * | S | Bend | -146.3 | 43.1 | 73.6 | -108 | -79.8 | 0 | 0 | 0 | 112.6 | |||
| 1613 | L | 40.4 | Very low | 50 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 45% | 0.445 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -125.6 | 112.8 | 163.7 | -76.6 | 172.7 | 0 | 0 | 0 | 107.1 | E1617 R1618 L1621 | L1613-E1617 WeakPolarHBondContact CA-OE2 3.17Å; L1613-E1617 HydrophobicContact CB-CB 4.41Å; L1613-E1617 HydrophobicContact CD2-CB 4.2Å; L1613-R1618 HydrophobicContact CB-CG 4.36Å; L1613-L1621 HydrophobicContact CD1-CD1 4.26Å |
| 1614 | N | 57.8 | Low | 52.5 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | trans | -59.2 | 156.9 | -173.7 | -72.5 | -15.7 | 0 | 0 | 0 | 110.5 | H1616 E1617 R1618 | N1614-H1616 PolarHBondContact O-N 3.22Å; N1614-E1617 HydrophobicContact CB-CG 4.41Å; N1614-E1617 PolarHBondContact N-OE2 3.22Å; N1614-E1617 CarbonylContact O-C 3.54Å; N1614-E1617 WeakPolarHBondContact O-CA 3.27Å; N1614-E1617 WeakPolarHBondContact O-CB 3.14Å; N1614-E1617 PolarHBondContact O-N 2.95Å; N1614-R1618 PolarHBondContact O-N 2.94Å | ||
| 1615 | E | 58.6 | Low | 54.8 | Low | 133 Ų | 133 | 110.9 Ų | 110.9 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.6 | -27.8 | 177.1 | -169.3 | 64.7 | 179.8 | 0 | 0 | 111.6 | Q1619 | E1615-Q1619 WeakPolarHBondContact O-CB 3.43Å; E1615-Q1619 PolarHBondContact O-N 3.47Å |
| 1616 | H | 66.6 | Low | 56.8 | Low | 162 Ų | 162 | 111.3 Ų | 111.3 | 75% | 0.75 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.7 | -28.5 | 172.7 | -149.1 | -44.7 | 0 | 0 | 0 | 114 | N1614 S1620 | N1614-H1616 PolarHBondContact O-N 3.22Å; H1616-S1620 WeakPolarHBondContact O-CB 3.44Å; H1616-S1620 PolarHBondContact O-N 3.16Å |
| 1617 | E | 69.2 | Low | 58.5 | Low | 86 Ų | 86 | 105.4 Ų | 105.4 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -85.4 | -35.2 | 174.5 | -65.5 | 176.1 | 107.5 | 0 | 0 | 111.8 | L1613 N1614 S1620 L1621 | L1613-E1617 WeakPolarHBondContact CA-OE2 3.17Å; L1613-E1617 HydrophobicContact CB-CB 4.41Å; L1613-E1617 HydrophobicContact CD2-CB 4.2Å; N1614-E1617 HydrophobicContact CB-CG 4.41Å; N1614-E1617 PolarHBondContact N-OE2 3.22Å; N1614-E1617 CarbonylContact O-C 3.54Å; N1614-E1617 WeakPolarHBondContact O-CA 3.27Å; N1614-E1617 WeakPolarHBondContact O-CB 3.14Å; N1614-E1617 PolarHBondContact O-N 2.95Å; E1617-S1620 PolarHBondContact O-N 3.22Å; E1617-L1621 WeakPolarHBondContact O-CB 3.05Å; E1617-L1621 WeakPolarHBondContact O-CG 3.3Å; E1617-L1621 PolarHBondContact O-N 2.73Å |
| 1618 | R | 71.1 | Confident | 60.5 | Low | 112 Ų | 112 | 99.9 Ų | 99.9 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 168.9 | -69.1 | -175.8 | 131.2 | -132.5 | 0 | 110.9 | L1613 N1614 L1621 F1622 | L1613-R1618 HydrophobicContact CB-CG 4.36Å; N1614-R1618 PolarHBondContact O-N 2.94Å; R1618-L1621 PolarHBondContact O-N 3.09Å; R1618-F1622 WeakPolarHBondContact O-CB 3.47Å; R1618-F1622 PolarHBondContact O-N 2.9Å |
| 1619 | Q | 77.2 | Confident | 62.6 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 174.3 | -172.7 | 58.3 | 34.3 | 0 | 0 | 111.6 | E1615 F1622 D1623 | E1615-Q1619 WeakPolarHBondContact O-CB 3.43Å; E1615-Q1619 PolarHBondContact O-N 3.47Å; Q1619-F1622 PolarHBondContact O-N 2.86Å; Q1619-D1623 PolarHBondContact NE2-OD1 3.09Å; Q1619-D1623 PolarHBondContact NE2-OD2 3.34Å; Q1619-D1623 WeakPolarHBondContact O-CB 3.35Å; Q1619-D1623 PolarHBondContact O-N 3.36Å |
| 1620 | S | 72.2 | Confident | 64.1 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | H1616 E1617 F1622 D1623 I1624 | H1616-S1620 WeakPolarHBondContact O-CB 3.44Å; H1616-S1620 PolarHBondContact O-N 3.16Å; E1617-S1620 PolarHBondContact O-N 3.22Å; S1620-F1622 VanDerWaalsContact C-N 3.33Å; S1620-F1622 PolarHBondContact O-N 3.4Å; S1620-D1623 PolarHBondContact O-N 3.24Å; S1620-I1624 WeakPolarHBondContact O-CB 3.22Å; S1620-I1624 WeakPolarHBondContact O-CD1 3.47Å; S1620-I1624 WeakPolarHBondContact O-CG1 3.33Å; S1620-I1624 PolarHBondContact O-N 2.98Å |
| 1621 | L | 75.7 | Confident | 65.4 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 174.2 | -79.5 | 166 | 0 | 0 | 0 | 111.9 | L1613 E1617 R1618 A1625 | L1613-L1621 HydrophobicContact CD1-CD1 4.26Å; E1617-L1621 WeakPolarHBondContact O-CB 3.05Å; E1617-L1621 WeakPolarHBondContact O-CG 3.3Å; E1617-L1621 PolarHBondContact O-N 2.73Å; R1618-L1621 PolarHBondContact O-N 3.09Å; L1621-A1625 WeakPolarHBondContact O-CB 3.46Å; L1621-A1625 PolarHBondContact O-N 3.1Å |
| 1622 | F | 76.6 | Confident | 66.9 | Low | 151 Ų | 151 | 97.6 Ų | 97.6 | 66% | 0.662 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.8 | -41.3 | 176.7 | -135.5 | -83.6 | 0 | 0 | 0 | 112 | R1618 Q1619 S1620 A1625 K1626 | R1618-F1622 WeakPolarHBondContact O-CB 3.47Å; R1618-F1622 PolarHBondContact O-N 2.9Å; Q1619-F1622 PolarHBondContact O-N 2.86Å; S1620-F1622 VanDerWaalsContact C-N 3.33Å; S1620-F1622 PolarHBondContact O-N 3.4Å; F1622-A1625 PolarHBondContact O-N 2.95Å; F1622-K1626 WeakPolarHBondContact O-CB 3.4Å; F1622-K1626 PolarHBondContact O-N 3.11Å |
| 1623 | D | 78.1 | Confident | 67.4 | Low | 69 Ų | 69 | 93.2 Ų | 93.2 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.7 | -27.2 | 176.7 | -78.8 | -34.3 | 0 | 0 | 0 | 112.6 | Q1619 S1620 K1626 A1627 | Q1619-D1623 PolarHBondContact NE2-OD1 3.09Å; Q1619-D1623 PolarHBondContact NE2-OD2 3.34Å; Q1619-D1623 WeakPolarHBondContact O-CB 3.35Å; Q1619-D1623 PolarHBondContact O-N 3.36Å; S1620-D1623 PolarHBondContact O-N 3.24Å; D1623-K1626 IonicContact OD1-NZ 3.2Å; D1623-K1626 PolarHBondContact OD1-NZ 2.7Å; D1623-A1627 WeakPolarHBondContact O-CA 3.45Å; D1623-A1627 WeakPolarHBondContact O-CB 3.42Å; D1623-A1627 PolarHBondContact O-N 2.76Å |
| 1624 | I | 78.9 | Confident | 67.5 | Low | 102 Ų | 102 | 96.1 Ų | 96.1 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 166.2 | -72.8 | 165 | 0 | 0 | 0 | 109.5 | S1620 K1626 A1627 A1628 | S1620-I1624 WeakPolarHBondContact O-CB 3.22Å; S1620-I1624 WeakPolarHBondContact O-CD1 3.47Å; S1620-I1624 WeakPolarHBondContact O-CG1 3.33Å; S1620-I1624 PolarHBondContact O-N 2.98Å; I1624-K1626 VanDerWaalsContact C-N 3.33Å; I1624-K1626 PolarHBondContact O-N 3.05Å; I1624-A1627 PolarHBondContact O-N 2.97Å; I1624-A1628 WeakPolarHBondContact O-CB 3.47Å; I1624-A1628 PolarHBondContact O-N 2.89Å |
| 1625 | A | 74.4 | Confident | 66.5 | Low | 52 Ų | 52 | 94.8 Ų | 94.8 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1621 F1622 T1629 | L1621-A1625 WeakPolarHBondContact O-CB 3.46Å; L1621-A1625 PolarHBondContact O-N 3.1Å; F1622-A1625 PolarHBondContact O-N 2.95Å; A1625-T1629 WeakPolarHBondContact O-CB 3.38Å; A1625-T1629 PolarHBondContact O-N 3.47Å; A1625-T1629 PolarHBondContact O-OG1 3.24Å |
| 1626 | K | 73.5 | Confident | 65.2 | Low | 119 Ų | 119 | 93.1 Ų | 93.1 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.2 | -35 | 178.4 | -175.7 | 178.8 | 171.6 | -165.7 | 0 | 112.5 | F1622 D1623 I1624 T1630 | F1622-K1626 WeakPolarHBondContact O-CB 3.4Å; F1622-K1626 PolarHBondContact O-N 3.11Å; D1623-K1626 IonicContact OD1-NZ 3.2Å; D1623-K1626 PolarHBondContact OD1-NZ 2.7Å; I1624-K1626 VanDerWaalsContact C-N 3.33Å; I1624-K1626 PolarHBondContact O-N 3.05Å; K1626-T1630 VanDerWaalsContact O-CB 3.23Å; K1626-T1630 WeakPolarHBondContact O-CB 3.37Å; K1626-T1630 PolarHBondContact O-N 2.9Å; K1626-T1630 PolarHBondContact O-OG1 2.95Å |
| 1627 | A | 68.7 | Low | 63.5 | Low | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -43.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1623 I1624 T1629 T1630 V1631 | D1623-A1627 WeakPolarHBondContact O-CA 3.45Å; D1623-A1627 WeakPolarHBondContact O-CB 3.42Å; D1623-A1627 PolarHBondContact O-N 2.76Å; I1624-A1627 PolarHBondContact O-N 2.97Å; A1627-T1629 VanDerWaalsContact C-N 3.34Å; A1627-T1630 CarbonylContact O-C 3.53Å; A1627-T1630 PolarHBondContact O-N 3.25Å; A1627-V1631 WeakPolarHBondContact O-CB 3.11Å; A1627-V1631 WeakPolarHBondContact O-CG2 3.48Å; A1627-V1631 PolarHBondContact O-N 3.46Å |
| 1628 | A | 67.5 | Low | 62 | Low | 43 Ų | 43 | 91 Ų | 91 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1624 V1631 M1632 | I1624-A1628 WeakPolarHBondContact O-CB 3.47Å; I1624-A1628 PolarHBondContact O-N 2.89Å; A1628-V1631 PolarHBondContact O-N 3.24Å; A1628-M1632 HydrophobicContact CB-CE 4.13Å; A1628-M1632 VanDerWaalsContact O-CB 3.3Å; A1628-M1632 WeakPolarHBondContact O-CB 3.35Å; A1628-M1632 WeakPolarHBondContact O-CE 3.49Å; A1628-M1632 VanDerWaalsContact O-CG 3.32Å; A1628-M1632 WeakPolarHBondContact O-CG 3.45Å; A1628-M1632 PolarHBondContact O-N 2.93Å |
| 1629 | T | 71.2 | Confident | 60 | Low | 69 Ų | 69 | 94.2 Ų | 94.2 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 172.9 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | A1625 A1627 L1633 | A1625-T1629 WeakPolarHBondContact O-CB 3.38Å; A1625-T1629 PolarHBondContact O-N 3.47Å; A1625-T1629 PolarHBondContact O-OG1 3.24Å; A1627-T1629 VanDerWaalsContact C-N 3.34Å; T1629-L1633 HydrophobicContact CG2-CD1 3.79Å; T1629-L1633 HydrophobicContact CG2-CG 4.29Å; T1629-L1633 WeakPolarHBondContact O-CB 3.44Å; T1629-L1633 VanDerWaalsContact O-CG 3.23Å; T1629-L1633 WeakPolarHBondContact O-CG 3.39Å; T1629-L1633 PolarHBondContact O-N 2.86Å |
| 1630 | T | 66.3 | Low | 57.7 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 43% | 0.429 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.1 | -41.4 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | K1626 A1627 L1633 L1634 | K1626-T1630 VanDerWaalsContact O-CB 3.23Å; K1626-T1630 WeakPolarHBondContact O-CB 3.37Å; K1626-T1630 PolarHBondContact O-N 2.9Å; K1626-T1630 PolarHBondContact O-OG1 2.95Å; A1627-T1630 CarbonylContact O-C 3.53Å; A1627-T1630 PolarHBondContact O-N 3.25Å; T1630-L1633 PolarHBondContact O-N 2.96Å; T1630-L1634 HydrophobicContact CG2-CD1 3.88Å; T1630-L1634 HydrophobicContact CG2-CG 4.4Å; T1630-L1634 VanDerWaalsContact O-CB 3.28Å; T1630-L1634 WeakPolarHBondContact O-CB 3.43Å; T1630-L1634 WeakPolarHBondContact O-CG 3.02Å; T1630-L1634 PolarHBondContact O-N 2.96Å |
| 1631 | V | 63.1 | Low | 55.7 | Low | 99 Ų | 99 | 98.2 Ų | 98.2 | 60% | 0.6 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67 | -38.7 | 174.9 | 170 | 0 | 0 | 0 | 0 | 110.8 | A1627 A1628 L1634 A1635 | A1627-V1631 WeakPolarHBondContact O-CB 3.11Å; A1627-V1631 WeakPolarHBondContact O-CG2 3.48Å; A1627-V1631 PolarHBondContact O-N 3.46Å; A1628-V1631 PolarHBondContact O-N 3.24Å; V1631-L1634 PolarHBondContact O-N 3.29Å; V1631-A1635 WeakPolarHBondContact O-CB 3.29Å; V1631-A1635 PolarHBondContact O-N 3.25Å |
| 1632 | M | 61 | Low | 53.6 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.6 | -37.7 | 173.2 | -74.1 | -174.2 | -78.7 | 0 | 0 | 112.5 | A1628 L1634 A1635 S1636 | A1628-M1632 HydrophobicContact CB-CE 4.13Å; A1628-M1632 VanDerWaalsContact O-CB 3.3Å; A1628-M1632 WeakPolarHBondContact O-CB 3.35Å; A1628-M1632 WeakPolarHBondContact O-CE 3.49Å; A1628-M1632 VanDerWaalsContact O-CG 3.32Å; A1628-M1632 WeakPolarHBondContact O-CG 3.45Å; A1628-M1632 PolarHBondContact O-N 2.93Å; M1632-L1634 VanDerWaalsContact C-N 3.34Å; M1632-A1635 CarbonylContact O-C 3.52Å; M1632-A1635 PolarHBondContact O-N 3.46Å; M1632-S1636 VanDerWaalsContact O-CB 3.27Å; M1632-S1636 WeakPolarHBondContact O-CB 3.43Å; M1632-S1636 PolarHBondContact O-N 2.87Å |
| 1633 | L | 47.3 | Very low | 51.3 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.3 | -26.9 | 173.5 | -76.2 | 169.7 | 0 | 0 | 0 | 112.8 | T1629 T1630 N1637 | T1629-L1633 HydrophobicContact CG2-CD1 3.79Å; T1629-L1633 HydrophobicContact CG2-CG 4.29Å; T1629-L1633 WeakPolarHBondContact O-CB 3.44Å; T1629-L1633 VanDerWaalsContact O-CG 3.23Å; T1629-L1633 WeakPolarHBondContact O-CG 3.39Å; T1629-L1633 PolarHBondContact O-N 2.86Å; T1630-L1633 PolarHBondContact O-N 2.96Å; L1633-N1637 VanDerWaalsContact O-CB 3.25Å; L1633-N1637 WeakPolarHBondContact O-CB 3.01Å; L1633-N1637 PolarHBondContact O-N 3.14Å; L1633-N1637 PolarHBondContact O-ND2 3.49Å |
| 1634 | L | 41.9 | Very low | 49 | Very low | 145 Ų | 145 | 109.9 Ų | 109.9 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.2 | -14.3 | 170.4 | -69 | 171.9 | 0 | 0 | 0 | 112.9 | T1630 V1631 M1632 | T1630-L1634 HydrophobicContact CG2-CD1 3.88Å; T1630-L1634 HydrophobicContact CG2-CG 4.4Å; T1630-L1634 VanDerWaalsContact O-CB 3.28Å; T1630-L1634 WeakPolarHBondContact O-CB 3.43Å; T1630-L1634 WeakPolarHBondContact O-CG 3.02Å; T1630-L1634 PolarHBondContact O-N 2.96Å; V1631-L1634 PolarHBondContact O-N 3.29Å; M1632-L1634 VanDerWaalsContact C-N 3.34Å |
| 1635 | A | 37.6 | Very low | 46.8 | Very low | 78 Ų | 78 | 114.2 Ų | 114.2 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -106.3 | 1.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1631 M1632 | V1631-A1635 WeakPolarHBondContact O-CB 3.29Å; V1631-A1635 PolarHBondContact O-N 3.25Å; M1632-A1635 CarbonylContact O-C 3.52Å; M1632-A1635 PolarHBondContact O-N 3.46Å |
| 1636 | S | 30.8 | Very low | 44.9 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -146.4 | 25.6 | -179.8 | -66.8 | 0 | 0 | 0 | 0 | 113.9 | M1632 | M1632-S1636 VanDerWaalsContact O-CB 3.27Å; M1632-S1636 WeakPolarHBondContact O-CB 3.43Å; M1632-S1636 PolarHBondContact O-N 2.87Å |
| 1637 | N | 31.5 | Very low | 43 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | trans | -107.4 | 130.8 | 158.3 | -87.8 | -46.9 | 0 | 0 | 0 | 110.4 | L1633 | L1633-N1637 VanDerWaalsContact O-CB 3.25Å; L1633-N1637 WeakPolarHBondContact O-CB 3.01Å; L1633-N1637 PolarHBondContact O-N 3.14Å; L1633-N1637 PolarHBondContact O-ND2 3.49Å | ||
| 1638 | S | 37.6 | Very low | 41.1 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | cis | -150.5 | 93.7 | -14.2 | -45.1 | 0 | 0 | 0 | 0 | 108.9 | S1640 | S1638-S1640 PolarHBondContact O-N 3Š| ||
| 1639 | N | 28.3 | Very low | 39.4 | Very low | 180 Ų | 180 | 127.6 Ų | 127.6 | 96% | 0.963 | 69% | 0.692 | S | S | * | * | trans | -98 | 67.4 | 178.8 | -120.5 | 8.2 | 0 | 0 | 0 | 111.5 | ||||
| 1640 | S | 30.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | trans | -176.1 | 108.7 | 151.4 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | S1638 | S1638-S1640 PolarHBondContact O-N 3Š| ||
| 1641 | C | 29.7 | Very low | 35.3 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -155.6 | 124.2 | 141.5 | -147.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1642 | R | 30.6 | Very low | 33.7 | Very low | 225 Ų | 225 | 136.1 Ų | 136.1 | 85% | 0.849 | 73% | 0.732 | S | S | * | * | trans | 60.4 | 99.4 | 163.4 | -65.4 | 177.5 | 179.8 | -162.9 | -3.5 | 118.3 | ||||
| 1643 | Q | 29.1 | Very low | 31.9 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | -58.7 | 140.7 | 124 | -65.5 | 177.4 | -12.1 | 0 | 0 | 109.3 | |||||
| 1644 | N | 30.4 | Very low | 31.5 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -171.7 | 146.2 | 133 | -98.5 | -9.1 | 0 | 0 | 0 | 111.6 | ||||
| 1645 | K | 32.4 | Very low | 30.8 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -88.4 | 163.3 | 163.7 | -58.8 | 170.8 | -179.8 | 173.1 | 0 | 107 | ||||
| 1646 | T | 34.9 | Very low | 30.4 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | cis | -158 | 172.6 | 18.5 | -24.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1647 | K | 32.4 | Very low | 30.2 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 0.1 | 146.1 | 150.5 | -70.7 | 170.1 | -176.8 | -179.2 | 0 | 119.2 | ||||
| 1648 | S | 29.3 | Very low | 30.2 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -177.5 | 167.4 | 4.3 | 50.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1649 | K | 31.3 | Very low | 29.9 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | 81 | 133 | 151.7 | -86.5 | -176.5 | 174.9 | -178.9 | 0 | 121.2 | ||||
| 1650 | L | 28.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 66 | 150.3 | 151.7 | -64.6 | 164.1 | 0 | 0 | 0 | 116.8 | ||||
| 1651 | S | 24.2 | Very low | 30.2 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | cis | -161.1 | 177.1 | -19.9 | -167.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1652 | M | 28.1 | Very low | 30.2 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 84% | 0.837 | 75% | 0.753 | S | S | * | * | trans | 74 | 126.6 | 166.4 | -57.6 | -55.2 | -169.9 | 0 | 0 | 120.4 | ||||
| 1653 | S | 24.3 | Very low | 30.4 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -97.7 | -177.8 | 141.5 | -51.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1654 | P | 38.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | cis | -141.5 | -161.6 | 6.3 | 30.5 | -3.6 | 0 | 0 | 0 | 114.9 | ||||
| 1655 | M | 26.8 | Very low | 30.5 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 70% | 0.7 | 74% | 0.741 | S | S | * | * | trans | 93.4 | 115.5 | 150.6 | -67.4 | -175.7 | 78.9 | 0 | 0 | 123.1 | ||||
| 1656 | Y | 29.1 | Very low | 30.4 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 157 | 132.4 | -79.6 | -128.8 | 0 | 0 | 0 | 120.3 | ||||
| 1657 | N | 26.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | cis | -169.8 | -171.1 | -37.5 | -150.3 | -42.2 | 0 | 0 | 0 | 107.8 | ||||
| 1658 | I | 31.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | 80.4 | 143 | 170.5 | -50.1 | 169.7 | 0 | 0 | 0 | 114.6 | ||||
| 1659 | K | 31 | Very low | 30.1 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | cis | -174.4 | 167.6 | -50 | -118 | -179.5 | 179.3 | 178.5 | 0 | 109.2 | ||||
| 1660 | Q | 32.1 | Very low | 30 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 70.5 | 149.1 | 163.6 | -71 | 169.6 | -11.1 | 0 | 0 | 117.7 | ||||
| 1661 | S | 32.7 | Very low | 30 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 57% | 0.573 | 74% | 0.741 | S | S | * | * | cis | -172.4 | 150.9 | -17.8 | 55.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1662 | N | 30.9 | Very low | 30.2 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 65.7 | 159.8 | 153.4 | -59.8 | -29.8 | 0 | 0 | 0 | 116.2 | ||||
| 1663 | K | 34.9 | Very low | 30.2 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | cis | -164.9 | 177.9 | -1.1 | -127 | 179.6 | -177.6 | -177.6 | 0 | 107.1 | ||||
| 1664 | L | 29.3 | Very low | 30.5 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | -166.5 | 133.7 | -6 | -156.4 | -174.7 | 0 | 0 | 0 | 107 | ||||
| 1665 | L | 32 | Very low | 30 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -176.5 | 151.9 | 143.2 | -129.6 | 69.2 | 0 | 0 | 0 | 115.3 | ||||
| 1666 | T | 29.6 | Very low | 30.2 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | -153.9 | 139.6 | 174.5 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1667 | N | 28.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 68 | 154.8 | 164.2 | -51.2 | -38.2 | 0 | 0 | 0 | 116.3 | ||||
| 1668 | S | 32 | Very low | 30.2 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -149 | 148 | 19.5 | -63.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1669 | K | 29 | Very low | 29.9 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 32.1 | 125.4 | 138.7 | -57.2 | 171.1 | -179.4 | 171.6 | 0 | 121.3 | ||||
| 1670 | K | 30.7 | Very low | 29.9 | Very low | 206 Ų | 206 | 149 Ų | 149 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | -171.7 | 163.1 | 104.5 | -107 | 173.9 | -177.5 | 175.3 | 0 | 115.7 | |||||
| 1671 | K | 28 | Very low | 29.8 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 56% | 0.561 | 78% | 0.781 | S | S | * | * | trans | -37.4 | 151.2 | 172.9 | -66.8 | 166.3 | 169.8 | 170.9 | 0 | 114 | N579 N580 | N579-K1671 PolarHBondContact OD1-NZ 3.06Å; N580-K1671 PolarHBondContact OD1-NZ 3.01Å | ||
| 1672 | S | 28.2 | Very low | 29.8 | Very low | 95 Ų | 95 | 154.4 Ų | 154.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | -165.1 | 164.5 | 64.1 | -157.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1673 | N | 28 | Very low | 29.5 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 42.8 | 107.6 | 160.2 | -67.6 | -8.8 | 0 | 0 | 0 | 120.3 | ||||
| 1674 | N | 31.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -141.8 | 109 | 147.2 | -126.8 | -37.5 | 0 | 0 | 0 | 110 | ||||
| 1675 | N | 26.9 | Very low | 29.3 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -93.2 | 173.8 | 175.7 | -112.8 | -40 | 0 | 0 | 0 | 110.4 | ||||
| 1676 | L | 32.4 | Very low | 29 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | 72 | 57 | 168.1 | -153.8 | 73.8 | 0 | 0 | 0 | 117.5 | K1678 | L1676-K1678 PolarHBondContact O-N 3.27Š| ||
| 1677 | S | 26.3 | Very low | 29 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -73.2 | 46.7 | 160.3 | 52 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1678 | K | 27.9 | Very low | 29 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | trans | -122.7 | 152.1 | 175 | -91.2 | 175.3 | 179 | 166.4 | 0 | 112.2 | L1676 | L1676-K1678 PolarHBondContact O-N 3.27Š| ||
| 1679 | C | 25.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | trans | 67.3 | 82.2 | 179.7 | -150.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1680 | K | 32.1 | Very low | 29.1 | Very low | 205 Ų | 205 | 154.6 Ų | 154.6 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -112.8 | 130.5 | 158.7 | -109.5 | 170.7 | -179 | 166.2 | 0 | 110.1 | ||||
| 1681 | R | 30.2 | Very low | 29.3 | Very low | 219 Ų | 219 | 156.9 Ų | 156.9 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 63 | 103.6 | 169.6 | -85.6 | 179 | 178.1 | 151.6 | 0.4 | 116.3 | ||
| 1682 | H | 32.8 | Very low | 30 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | cis | -161.1 | 115 | 48.2 | -79.7 | 90.8 | 0 | 0 | 0 | 114.1 | ||||
| 1683 | Q | 24.6 | Very low | 31.1 | Very low | 93 Ų | 93 | 153.7 Ų | 153.7 | 44% | 0.435 | 76% | 0.755 | S | S | . | * | trans | -94.8 | 126.9 | 136.3 | -85.9 | 175.9 | -6.4 | 0 | 0 | 107.8 | S1156 F1157 | S1156-Q1683 PolarHBondContact OG-NE2 3.42Å; S1156-Q1683 VanDerWaalsContact OG-NE2 3.16Å; S1156-Q1683 PolarHBondContact OG-OE1 2.99Å; F1157-Q1683 HydrophobicContact CD2-CG 4.2Å; F1157-Q1683 HydrophobicContact CE1-CG 4.37Å; F1157-Q1683 HydrophobicContact CE2-CG 3.37Å; F1157-Q1683 VanDerWaalsContact CE2-NE2 3.29Å; F1157-Q1683 HydrophobicContact CZ-CG 3.48Å; F1157-Q1683 VanDerWaalsContact CZ-CG 3.48Å | ||
| 1684 | V | 32.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 154.3 Ų | 154.3 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | -149.4 | 106.3 | 146.5 | -179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1685 | I | 26.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 47% | 0.472 | 72% | 0.718 | S | S | . | * | trans | -84.6 | 147.3 | 160.4 | -64.2 | 174.8 | 0 | 0 | 0 | 107.5 | ||||
| 1686 | S | 26 | Very low | 37.8 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | trans | 46.8 | 102.3 | 166 | 59.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1687 | R | 30 | Very low | 40.1 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | -162.3 | 115 | 124.6 | -108.6 | 159.6 | -175.1 | -177.7 | 1.5 | 110.2 | R1689 | R1687-R1689 PolarHBondContact O-N 3.31Š| |||
| 1688 | S | 27.3 | Very low | 43 | Very low | 130 Ų | 130 | 138 Ų | 138 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | trans | -74.1 | 60 | 170.6 | -63 | 0 | 0 | 0 | 0 | 111.1 | R1690 | S1688-R1690 VanDerWaalsContact C-N 3.27Å; S1688-R1690 PolarHBondContact O-N 3.22Å | ||
| 1689 | R | 31.4 | Very low | 46 | Very low | 217 Ų | 217 | 131.2 Ų | 131.2 | 82% | 0.819 | 64% | 0.638 | S | S | * | * | trans | -64.5 | 97.4 | 159.2 | -81.1 | -167.9 | 175 | -171.8 | -0.7 | 106.8 | R1687 R1691 | R1687-R1689 PolarHBondContact O-N 3.31Å; R1689-R1691 PolarHBondContact O-N 3Å | ||
| 1690 | R | 33.5 | Very low | 49.1 | Very low | 199 Ų | 199 | 127.9 Ų | 127.9 | 75% | 0.751 | 61% | 0.609 | S | S | * | * | trans | -45 | 136.4 | 152.1 | -65.5 | -179.1 | -177.2 | 174.1 | 2.2 | 106.1 | S1688 L1692 | S1688-R1690 VanDerWaalsContact C-N 3.27Å; S1688-R1690 PolarHBondContact O-N 3.22Å; R1690-L1692 PolarHBondContact O-N 3.46Å | ||
| 1691 | R | 35 | Very low | 51.9 | Low | 253 Ų | 253 | 121.8 Ų | 121.8 | 96% | 0.955 | 59% | 0.587 | S | S | * | * | trans | -72.1 | 72.4 | 162.6 | -71.4 | -173.6 | -179.7 | -171.8 | -1.6 | 108.4 | R1689 C1693 | R1689-R1691 PolarHBondContact O-N 3Å; R1691-C1693 PolarHBondContact O-N 2.78Å | ||
| 1692 | L | 41.9 | Very low | 54.7 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 57% | 0.567 | S | S | . | * | trans | -54.9 | 127.7 | 141.7 | -74.4 | 160.8 | 0 | 0 | 0 | 105.2 | R1690 | R1690-L1692 PolarHBondContact O-N 3.46Š| ||
| 1693 | C | 51.2 | Low | 57.6 | Low | 53 Ų | 53 | 107.3 Ų | 107.3 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | trans | -58.1 | 142.1 | 162.5 | -60.3 | 0 | 0 | 0 | 0 | 107.2 | R1691 I1695 T1732 | R1691-C1693 PolarHBondContact O-N 2.78Å; C1693-I1695 PolarHBondContact O-N 3.16Å; C1693-T1732 HydrophobicContact CB-CG2 3.9Å; C1693-T1732 PolarHBondContact SG-OG1 3.35Å | ||
| 1694 | N | 57.6 | Low | 60.7 | Low | 161 Ų | 161 | 105.8 Ų | 105.8 | 86% | 0.861 | 53% | 0.527 | S | S | * | . | trans | -70.7 | 89.6 | 166.7 | -76.3 | 10.2 | 0 | 0 | 0 | 107 | S1696 | N1694-S1696 PolarHBondContact O-N 3.24Š| ||
| 1695 | I | 81.3 | Confident | 63.5 | Low | 16 Ų | 16 | 102.4 Ų | 102.4 | 8% | 0.082 | 51% | 0.509 | C | S | . | . | trans | -66.9 | 120.4 | 168.6 | -55.8 | 178 | 0 | 0 | 0 | 105.9 | C1693 Q1699 Q1700 L1703 L1728 T1732 W1736 | C1693-I1695 PolarHBondContact O-N 3.16Å; I1695-Q1699 HydrophobicContact CG2-CB 3.38Å; I1695-Q1700 HydrophobicContact CB-CG 4.04Å; I1695-Q1700 HydrophobicContact CG2-CG 3.55Å; I1695-Q1700 PolarHBondContact O-NE2 3.03Å; I1695-L1703 HydrophobicContact CD1-CD1 4.43Å; I1695-L1703 HydrophobicContact CG2-CD1 4.34Å; I1695-L1728 HydrophobicContact CD1-CD1 4.47Å; I1695-L1728 HydrophobicContact CG1-CD1 4.25Å; I1695-L1728 HydrophobicContact CG1-CD2 4.42Å; I1695-L1728 HydrophobicContact CG2-CD1 4.07Å; I1695-T1732 HydrophobicContact CD1-CG2 3.91Å; I1695-T1732 HydrophobicContact CG1-CG2 4.15Å; I1695-W1736 HydrophobicContact CD1-CB 4.09Å; I1695-W1736 HydrophobicContact CD1-CG 3.93Å | ||
| 1696 | S | 88 | Confident | 66.4 | Low | 47 Ų | 47 | 98.6 Ų | 98.6 | 33% | 0.329 | 49% | 0.491 | S | S | . | . | trans | -60.8 | 161.1 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | N1694 S1698 Q1699 Q1700 | N1694-S1696 PolarHBondContact O-N 3.24Å; S1696-S1698 VanDerWaalsContact C-N 3.29Å; S1696-S1698 PolarHBondContact O-N 3.49Å; S1696-S1698 PolarHBondContact OG-OG 3.02Å; S1696-Q1699 PolarHBondContact O-N 3.16Å; S1696-Q1699 VanDerWaalsContact O-N 3.14Å; S1696-Q1699 WeakPolarHBondContact OG-CB 3.32Å; S1696-Q1699 VanDerWaalsContact OG-CG 3.28Å; S1696-Q1699 WeakPolarHBondContact OG-CG 3.45Å; S1696-Q1699 PolarHBondContact OG-N 3.38Å; S1696-Q1699 VanDerWaalsContact OG-N 3.11Å; S1696-Q1699 PolarHBondContact OG-OE1 3.45Å; S1696-Q1700 WeakPolarHBondContact O-CG 3.3Å; S1696-Q1700 PolarHBondContact O-N 3.13Å | ||
| 1697 | Q | 80.8 | Confident | 69.2 | Low | 118 Ų | 118 | 94.5 Ų | 94.5 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.4 | -47.5 | 176.6 | -170.2 | 57.4 | 49 | 0 | 0 | 110.6 | Q1699 Q1700 D1701 | Q1697-Q1699 VanDerWaalsContact C-N 3.33Å; Q1697-Q1699 PolarHBondContact O-N 2.97Å; Q1697-Q1700 CarbonylContact O-C 3.54Å; Q1697-Q1700 WeakPolarHBondContact O-CA 3.4Å; Q1697-Q1700 WeakPolarHBondContact O-CB 3.49Å; Q1697-Q1700 PolarHBondContact O-N 2.99Å; Q1697-D1701 PolarHBondContact NE2-OD1 2.93Å; Q1697-D1701 PolarHBondContact O-N 3.26Å; Q1697-D1701 VanDerWaalsContact O-OD2 3.08Å |
| 1698 | S | 86.6 | Confident | 71.7 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56 | -39.5 | 175 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | S1696 Q1700 D1701 V1702 | S1696-S1698 VanDerWaalsContact C-N 3.29Å; S1696-S1698 PolarHBondContact O-N 3.49Å; S1696-S1698 PolarHBondContact OG-OG 3.02Å; S1698-Q1700 VanDerWaalsContact C-N 3.35Å; S1698-D1701 PolarHBondContact O-N 3.34Å; S1698-V1702 WeakPolarHBondContact O-CG2 3.5Å; S1698-V1702 PolarHBondContact O-N 2.92Å; S1698-V1702 VanDerWaalsContact O-N 3.13Å |
| 1699 | Q | 92.3 | Very high | 74.4 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 19% | 0.187 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.1 | -31.2 | 174.5 | -73.8 | 170.7 | -35 | 0 | 0 | 112.1 | I1695 S1696 Q1697 L1703 L1726 L1728 | I1695-Q1699 HydrophobicContact CG2-CB 3.38Å; S1696-Q1699 PolarHBondContact O-N 3.16Å; S1696-Q1699 VanDerWaalsContact O-N 3.14Å; S1696-Q1699 WeakPolarHBondContact OG-CB 3.32Å; S1696-Q1699 VanDerWaalsContact OG-CG 3.28Å; S1696-Q1699 WeakPolarHBondContact OG-CG 3.45Å; S1696-Q1699 PolarHBondContact OG-N 3.38Å; S1696-Q1699 VanDerWaalsContact OG-N 3.11Å; S1696-Q1699 PolarHBondContact OG-OE1 3.45Å; Q1697-Q1699 VanDerWaalsContact C-N 3.33Å; Q1697-Q1699 PolarHBondContact O-N 2.97Å; Q1699-L1703 WeakPolarHBondContact O-CB 3.25Å; Q1699-L1703 WeakPolarHBondContact O-CD1 2.68Å; Q1699-L1703 VanDerWaalsContact O-CG 3.22Å; Q1699-L1703 WeakPolarHBondContact O-CG 3.32Å; Q1699-L1703 PolarHBondContact O-N 2.99Å; Q1699-L1726 HydrophobicContact CG-CB 4.39Å; Q1699-L1726 HydrophobicContact CG-CD2 4.26Å; Q1699-L1726 PolarHBondContact NE2-O 3.09Å; Q1699-L1728 HydrophobicContact CB-CD1 4.37Å |
| 1700 | Q | 90.6 | Very high | 76.3 | Confident | 61 Ų | 61 | 82.3 Ų | 82.3 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 172.3 | -65.6 | 179.7 | 61.7 | 0 | 0 | 111 | I1695 S1696 Q1697 S1698 V1702 L1703 I1704 | I1695-Q1700 HydrophobicContact CB-CG 4.04Å; I1695-Q1700 HydrophobicContact CG2-CG 3.55Å; I1695-Q1700 PolarHBondContact O-NE2 3.03Å; S1696-Q1700 WeakPolarHBondContact O-CG 3.3Å; S1696-Q1700 PolarHBondContact O-N 3.13Å; Q1697-Q1700 CarbonylContact O-C 3.54Å; Q1697-Q1700 WeakPolarHBondContact O-CA 3.4Å; Q1697-Q1700 WeakPolarHBondContact O-CB 3.49Å; Q1697-Q1700 PolarHBondContact O-N 2.99Å; S1698-Q1700 VanDerWaalsContact C-N 3.35Å; Q1700-V1702 PolarHBondContact O-N 3.33Å; Q1700-L1703 CarbonylContact O-C 3.5Å; Q1700-L1703 PolarHBondContact O-N 3.31Å; Q1700-I1704 VanDerWaalsContact O-CG1 3.27Å; Q1700-I1704 WeakPolarHBondContact O-CG1 3.18Å; Q1700-I1704 PolarHBondContact O-N 3.46Å |
| 1701 | D | 89.8 | Confident | 78.1 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | -179.9 | -55.1 | -32.1 | 0 | 0 | 0 | 111.3 | Q1697 S1698 I1704 S1705 | Q1697-D1701 PolarHBondContact NE2-OD1 2.93Å; Q1697-D1701 PolarHBondContact O-N 3.26Å; Q1697-D1701 VanDerWaalsContact O-OD2 3.08Å; S1698-D1701 PolarHBondContact O-N 3.34Å; D1701-I1704 PolarHBondContact O-N 3.16Å; D1701-S1705 PolarHBondContact O-N 3.13Å |
| 1702 | V | 90.1 | Very high | 80.2 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 112 | S1698 Q1700 I1704 S1705 A1706 L1722 L1726 | S1698-V1702 WeakPolarHBondContact O-CG2 3.5Å; S1698-V1702 PolarHBondContact O-N 2.92Å; S1698-V1702 VanDerWaalsContact O-N 3.13Å; Q1700-V1702 PolarHBondContact O-N 3.33Å; V1702-I1704 VanDerWaalsContact C-N 3.29Å; V1702-I1704 PolarHBondContact O-N 2.97Å; V1702-S1705 PolarHBondContact O-N 2.9Å; V1702-A1706 PolarHBondContact O-N 2.87Å; V1702-L1722 HydrophobicContact CG1-CD2 4.42Å; V1702-L1726 HydrophobicContact CB-CD2 4.02Å; V1702-L1726 HydrophobicContact CG1-CD2 3.92Å; V1702-L1726 HydrophobicContact CG2-CD2 4.47Å |
| 1703 | L | 93.1 | Very high | 82 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.7 | -33.1 | 174.6 | -74 | 170.6 | 0 | 0 | 0 | 112.5 | I1695 Q1699 Q1700 C1707 L1722 L1726 L1728 I1733 W1736 | I1695-L1703 HydrophobicContact CD1-CD1 4.43Å; I1695-L1703 HydrophobicContact CG2-CD1 4.34Å; Q1699-L1703 WeakPolarHBondContact O-CB 3.25Å; Q1699-L1703 WeakPolarHBondContact O-CD1 2.68Å; Q1699-L1703 VanDerWaalsContact O-CG 3.22Å; Q1699-L1703 WeakPolarHBondContact O-CG 3.32Å; Q1699-L1703 PolarHBondContact O-N 2.99Å; Q1700-L1703 CarbonylContact O-C 3.5Å; Q1700-L1703 PolarHBondContact O-N 3.31Å; L1703-C1707 WeakPolarHBondContact O-CB 3.31Å; L1703-C1707 PolarHBondContact O-N 3.18Å; L1703-C1707 PolarHBondContact O-SG 2.97Å; L1703-L1722 HydrophobicContact CD2-CB 4.43Å; L1703-L1722 HydrophobicContact CD2-CD1 4.35Å; L1703-L1726 HydrophobicContact CD1-CD1 4.19Å; L1703-L1726 HydrophobicContact CD2-CD1 3.7Å; L1703-L1726 HydrophobicContact CG-CD1 3.6Å; L1703-L1728 HydrophobicContact CD1-CD1 4.48Å; L1703-I1733 HydrophobicContact CD1-CG1 4.44Å; L1703-I1733 HydrophobicContact CD2-CD1 4.08Å; L1703-I1733 HydrophobicContact CD2-CG1 4.15Å; L1703-I1733 HydrophobicContact CD2-CG2 3.97Å; L1703-W1736 HydrophobicContact CB-CD2 4.45Å; L1703-W1736 HydrophobicContact CB-CE3 3.91Å; L1703-W1736 HydrophobicContact CB-CH2 3.78Å; L1703-W1736 HydrophobicContact CB-CZ2 4.29Å; L1703-W1736 HydrophobicContact CB-CZ3 3.57Å; L1703-W1736 HydrophobicContact CD1-CD2 3.96Å; L1703-W1736 HydrophobicContact CD1-CE3 4Å; L1703-W1736 HydrophobicContact CD1-CG 4.31Å; L1703-W1736 HydrophobicContact CG-CE3 4.43Å |
| 1704 | I | 90.4 | Very high | 83.6 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.7 | -49.6 | 172.4 | -70.2 | 167 | 0 | 0 | 0 | 109.8 | Q1700 D1701 V1702 A1706 C1707 S1708 W1736 Y1740 | Q1700-I1704 VanDerWaalsContact O-CG1 3.27Å; Q1700-I1704 WeakPolarHBondContact O-CG1 3.18Å; Q1700-I1704 PolarHBondContact O-N 3.46Å; D1701-I1704 PolarHBondContact O-N 3.16Å; V1702-I1704 VanDerWaalsContact C-N 3.29Å; V1702-I1704 PolarHBondContact O-N 2.97Å; I1704-A1706 VanDerWaalsContact C-N 3.34Å; I1704-A1706 PolarHBondContact O-N 2.94Å; I1704-C1707 CarbonylContact O-C 3.57Å; I1704-C1707 WeakPolarHBondContact O-CA 3.41Å; I1704-C1707 PolarHBondContact O-N 2.75Å; I1704-S1708 PolarHBondContact O-N 2.84Å; I1704-S1708 PolarHBondContact O-OG 3.39Å; I1704-W1736 HydrophobicContact CG1-CH2 3.75Å; I1704-W1736 HydrophobicContact CG1-CZ2 4.13Å; I1704-Y1740 HydrophobicContact CG1-CE2 4.03Å |
| 1705 | S | 89.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.8 | -48.2 | 179.4 | -150.7 | 0 | 0 | 0 | 0 | 111.7 | D1701 V1702 C1707 S1708 E1709 | D1701-S1705 PolarHBondContact O-N 3.13Å; V1702-S1705 PolarHBondContact O-N 2.9Å; S1705-C1707 VanDerWaalsContact C-N 3.25Å; S1705-C1707 PolarHBondContact O-N 3.02Å; S1705-S1708 WeakPolarHBondContact CA-OG 3.48Å; S1705-S1708 PolarHBondContact O-N 2.9Å; S1705-S1708 PolarHBondContact O-OG 3.47Å; S1705-E1709 WeakPolarHBondContact CB-OE1 3.47Å; S1705-E1709 WeakPolarHBondContact O-CG 3.43Å; S1705-E1709 PolarHBondContact O-N 3.17Å; S1705-E1709 PolarHBondContact OG-OE1 3.04Å |
| 1706 | A | 87.8 | Confident | 85.5 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -25.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | V1702 I1704 H1710 L1714 L1722 | V1702-A1706 PolarHBondContact O-N 2.87Å; I1704-A1706 VanDerWaalsContact C-N 3.34Å; I1704-A1706 PolarHBondContact O-N 2.94Å; A1706-H1710 WeakPolarHBondContact O-CB 3.35Å; A1706-H1710 PolarHBondContact O-N 2.89Å; A1706-H1710 VanDerWaalsContact O-N 3.11Å; A1706-L1714 HydrophobicContact CB-CD2 4.39Å; A1706-L1722 HydrophobicContact CB-CD1 3.8Å; A1706-L1722 HydrophobicContact CB-CD2 4.01Å |
| 1707 | C | 85.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 9% | 0.088 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -83.7 | -15 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 114 | L1703 I1704 S1705 L1714 Y1740 | L1703-C1707 WeakPolarHBondContact O-CB 3.31Å; L1703-C1707 PolarHBondContact O-N 3.18Å; L1703-C1707 PolarHBondContact O-SG 2.97Å; I1704-C1707 CarbonylContact O-C 3.57Å; I1704-C1707 WeakPolarHBondContact O-CA 3.41Å; I1704-C1707 PolarHBondContact O-N 2.75Å; S1705-C1707 VanDerWaalsContact C-N 3.25Å; S1705-C1707 PolarHBondContact O-N 3.02Å; C1707-L1714 HydrophobicContact CB-CD1 4.4Å; C1707-Y1740 HydrophobicContact CB-CD1 4.15Å; C1707-Y1740 HydrophobicContact CB-CE1 3.79Å |
| 1708 | S | 82 | Confident | 85.9 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 63% | 0.629 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -90.8 | -31.9 | 168.5 | 44.3 | 0 | 0 | 0 | 0 | 113.2 | I1704 S1705 | I1704-S1708 PolarHBondContact O-N 2.84Å; I1704-S1708 PolarHBondContact O-OG 3.39Å; S1705-S1708 WeakPolarHBondContact CA-OG 3.48Å; S1705-S1708 PolarHBondContact O-N 2.9Å; S1705-S1708 PolarHBondContact O-OG 3.47Å |
| 1709 | E | 82.8 | Confident | 86.3 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.612 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -78 | -37.6 | 177.6 | -70.5 | 160.9 | -133.1 | 0 | 0 | 112 | S1705 | S1705-E1709 WeakPolarHBondContact CB-OE1 3.47Å; S1705-E1709 WeakPolarHBondContact O-CG 3.43Å; S1705-E1709 PolarHBondContact O-N 3.17Å; S1705-E1709 PolarHBondContact OG-OE1 3.04Å |
| 1710 | H | 71.4 | Confident | 86.3 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -112.3 | 112.1 | 173.4 | -59.5 | -46.4 | 0 | 0 | 0 | 110.2 | A1706 L1712 L1714 | A1706-H1710 WeakPolarHBondContact O-CB 3.35Å; A1706-H1710 PolarHBondContact O-N 2.89Å; A1706-H1710 VanDerWaalsContact O-N 3.11Å; H1710-L1712 PolarHBondContact O-N 3.49Å; H1710-L1714 HydrophobicContact CB-CG 4.14Å |
| 1711 | Q | 72.2 | Confident | 86.4 | Confident | 182 Ų | 182 | 70.9 Ų | 70.9 | 85% | 0.85 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 133.8 | 178 | -63.9 | -176.4 | 6.9 | 0 | 0 | 111 | P1713 | Q1711-P1713 CarbonylContact O-C 3.58Š|
| 1712 | L | 79.6 | Confident | 86.6 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -66.1 | 134.7 | -178.6 | -75.4 | 165.2 | 0 | 0 | 0 | 111.1 | H1710 L1714 I1737 I1744 | H1710-L1712 PolarHBondContact O-N 3.49Å; L1712-L1714 HydrophobicContact CD2-CD1 3.68Å; L1712-L1714 HydrophobicContact CG-CD1 4.49Å; L1712-I1737 HydrophobicContact CD2-CG2 3.68Å; L1712-I1744 HydrophobicContact CD1-CD1 4.2Å |
| 1713 | P | 78.1 | Confident | 86.8 | Confident | 120 Ų | 120 | 65.4 Ų | 65.4 | 78% | 0.779 | 36% | 0.36 | S | S | * | . | S | Bend | cis | -87.7 | 139.5 | 6.7 | 33.9 | -34.2 | 0 | 0 | 0 | 114.4 | Q1711 | Q1711-P1713 CarbonylContact O-C 3.58Š|
| 1714 | L | 86 | Confident | 86.7 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.052 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 149.8 | 170.5 | -84 | 76 | 0 | 0 | 0 | 111.9 | A1706 C1707 H1710 L1712 M1719 L1722 I1737 | A1706-L1714 HydrophobicContact CB-CD2 4.39Å; C1707-L1714 HydrophobicContact CB-CD1 4.4Å; H1710-L1714 HydrophobicContact CB-CG 4.14Å; L1712-L1714 HydrophobicContact CD2-CD1 3.68Å; L1712-L1714 HydrophobicContact CG-CD1 4.49Å; L1714-M1719 HydrophobicContact CB-CG 3.88Å; L1714-L1722 HydrophobicContact CD2-CD1 3.64Å; L1714-I1737 HydrophobicContact CD2-CD1 4.2Å |
| 1715 | S | 89.7 | Confident | 86.7 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 42% | 0.42 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 158.1 | 175.4 | 86.8 | 0 | 0 | 0 | 0 | 112 | E1717 T1718 M1719 | S1715-E1717 PolarHBondContact O-N 2.73Å; S1715-E1717 PolarHBondContact OG-N 3.3Å; S1715-T1718 PolarHBondContact N-OG1 3.48Å; S1715-T1718 PolarHBondContact O-N 2.89Å; S1715-T1718 PolarHBondContact O-OG1 2.74Å; S1715-T1718 PolarHBondContact OG-N 3.29Å; S1715-T1718 VanDerWaalsContact OG-N 3.09Å; S1715-T1718 PolarHBondContact OG-OG1 2.85Å; S1715-M1719 WeakPolarHBondContact O-CB 3.44Å; S1715-M1719 WeakPolarHBondContact O-CG 3.37Å; S1715-M1719 PolarHBondContact O-N 3.29Å |
| 1716 | T | 89.1 | Confident | 86.7 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.7 | 175.2 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | K1720 | T1716-K1720 HydrophobicContact CG2-CD 4.45Å; T1716-K1720 WeakPolarHBondContact O-CD 3.39Å; T1716-K1720 WeakPolarHBondContact O-CG 3.25Å; T1716-K1720 PolarHBondContact O-N 2.71Å |
| 1717 | E | 88.4 | Confident | 86.8 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 70% | 0.696 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -43.7 | -179.1 | -64.6 | -178.8 | 162.3 | 0 | 0 | 111.6 | S1715 M1719 K1720 S1721 | S1715-E1717 PolarHBondContact O-N 2.73Å; S1715-E1717 PolarHBondContact OG-N 3.3Å; E1717-M1719 VanDerWaalsContact C-N 3.31Å; E1717-M1719 PolarHBondContact O-N 3.44Å; E1717-K1720 WeakPolarHBondContact O-CA 3.23Å; E1717-K1720 WeakPolarHBondContact O-CB 3.43Å; E1717-K1720 PolarHBondContact O-N 2.81Å; E1717-S1721 PolarHBondContact O-N 2.8Å |
| 1718 | T | 89.5 | Confident | 87.1 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 172.3 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | S1715 K1720 S1721 L1722 | S1715-T1718 PolarHBondContact N-OG1 3.48Å; S1715-T1718 PolarHBondContact O-N 2.89Å; S1715-T1718 PolarHBondContact O-OG1 2.74Å; S1715-T1718 PolarHBondContact OG-N 3.29Å; S1715-T1718 VanDerWaalsContact OG-N 3.09Å; S1715-T1718 PolarHBondContact OG-OG1 2.85Å; T1718-K1720 VanDerWaalsContact C-N 3.26Å; T1718-K1720 PolarHBondContact O-N 3.43Å; T1718-S1721 PolarHBondContact O-N 3.02Å; T1718-L1722 WeakPolarHBondContact O-CB 3.36Å; T1718-L1722 VanDerWaalsContact O-CG 3.28Å; T1718-L1722 WeakPolarHBondContact O-CG 3.29Å; T1718-L1722 PolarHBondContact O-N 3.34Å |
| 1719 | M | 93 | Very high | 87.5 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 7% | 0.069 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.1 | -23.9 | 171.8 | -72.1 | -168.3 | -70.7 | 0 | 0 | 114.3 | L1714 S1715 E1717 A1723 Y1730 L1734 I1737 | L1714-M1719 HydrophobicContact CB-CG 3.88Å; S1715-M1719 WeakPolarHBondContact O-CB 3.44Å; S1715-M1719 WeakPolarHBondContact O-CG 3.37Å; S1715-M1719 PolarHBondContact O-N 3.29Å; E1717-M1719 VanDerWaalsContact C-N 3.31Å; E1717-M1719 PolarHBondContact O-N 3.44Å; M1719-A1723 WeakPolarHBondContact O-CB 3.49Å; M1719-A1723 PolarHBondContact O-N 2.89Å; M1719-Y1730 HydrophobicContact CB-CD2 4.34Å; M1719-Y1730 HydrophobicContact CB-CE2 3.63Å; M1719-Y1730 WeakPolarHBondContact O-CD2 3.49Å; M1719-L1734 HydrophobicContact CE-CD1 4.01Å; M1719-L1734 HydrophobicContact SD-CD1 3.81Å; M1719-I1737 HydrophobicContact CG-CD1 3.72Å; M1719-I1737 HydrophobicContact SD-CD1 3.82Å |
| 1720 | K | 93.6 | Very high | 88 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -80.3 | -40.9 | 172 | -78.7 | 167.8 | -175.3 | 172.6 | 0 | 111.8 | T1716 E1717 T1718 A1723 Q1724 Y1730 | T1716-K1720 HydrophobicContact CG2-CD 4.45Å; T1716-K1720 WeakPolarHBondContact O-CD 3.39Å; T1716-K1720 WeakPolarHBondContact O-CG 3.25Å; T1716-K1720 PolarHBondContact O-N 2.71Å; E1717-K1720 WeakPolarHBondContact O-CA 3.23Å; E1717-K1720 WeakPolarHBondContact O-CB 3.43Å; E1717-K1720 PolarHBondContact O-N 2.81Å; T1718-K1720 VanDerWaalsContact C-N 3.26Å; T1718-K1720 PolarHBondContact O-N 3.43Å; K1720-A1723 WeakPolarHBondContact O-CB 3.48Å; K1720-A1723 PolarHBondContact O-N 3.24Å; K1720-Q1724 PolarHBondContact O-N 3.01Å; K1720-Q1724 VanDerWaalsContact O-N 3.13Å; K1720-Y1730 HydrophobicContact CG-CD2 3.93Å; K1720-Y1730 HydrophobicContact CG-CE2 3.88Å |
| 1721 | S | 93.2 | Very high | 88.8 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 43% | 0.434 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.3 | -57.5 | 173.3 | -160.8 | 0 | 0 | 0 | 0 | 109.4 | E1717 T1718 A1723 Q1724 D1725 | E1717-S1721 PolarHBondContact O-N 2.8Å; T1718-S1721 PolarHBondContact O-N 3.02Å; S1721-A1723 PolarHBondContact O-N 3.4Å; S1721-Q1724 CarbonylContact O-C 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CA 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CB 3.3Å; S1721-Q1724 PolarHBondContact O-N 3.25Å; S1721-D1725 WeakPolarHBondContact CB-OD2 3.35Å; S1721-D1725 PolarHBondContact O-N 3.1Å; S1721-D1725 PolarHBondContact OG-OD2 2.93Å |
| 1722 | L | 93.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.1 | -28.8 | 178.8 | -66.7 | 165.7 | 0 | 0 | 0 | 113.4 | V1702 L1703 A1706 L1714 T1718 D1725 L1726 I1733 | V1702-L1722 HydrophobicContact CG1-CD2 4.42Å; L1703-L1722 HydrophobicContact CD2-CB 4.43Å; L1703-L1722 HydrophobicContact CD2-CD1 4.35Å; A1706-L1722 HydrophobicContact CB-CD1 3.8Å; A1706-L1722 HydrophobicContact CB-CD2 4.01Å; L1714-L1722 HydrophobicContact CD2-CD1 3.64Å; T1718-L1722 WeakPolarHBondContact O-CB 3.36Å; T1718-L1722 VanDerWaalsContact O-CG 3.28Å; T1718-L1722 WeakPolarHBondContact O-CG 3.29Å; T1718-L1722 PolarHBondContact O-N 3.34Å; L1722-D1725 PolarHBondContact N-OD2 3.38Å; L1722-L1726 WeakPolarHBondContact O-CB 3.43Å; L1722-L1726 VanDerWaalsContact O-CG 3.27Å; L1722-L1726 WeakPolarHBondContact O-CG 3.33Å; L1722-L1726 PolarHBondContact O-N 3.34Å; L1722-L1726 VanDerWaalsContact O-N 3.1Å; L1722-I1733 HydrophobicContact CB-CD1 3.93Å; L1722-I1733 VanDerWaalsContact O-CD1 3.22Å; L1722-I1733 WeakPolarHBondContact O-CD1 3.49Å |
| 1723 | A | 93.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 68.5 Ų | 68.5 | 11% | 0.107 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1719 K1720 S1721 C1727 L1728 Y1730 I1733 | M1719-A1723 WeakPolarHBondContact O-CB 3.49Å; M1719-A1723 PolarHBondContact O-N 2.89Å; K1720-A1723 WeakPolarHBondContact O-CB 3.48Å; K1720-A1723 PolarHBondContact O-N 3.24Å; S1721-A1723 PolarHBondContact O-N 3.4Å; A1723-C1727 PolarHBondContact O-N 2.79Å; A1723-L1728 CarbonylContact C-O 3.15Å; A1723-L1728 WeakPolarHBondContact CA-O 3.47Å; A1723-L1728 WeakPolarHBondContact CB-O 3.24Å; A1723-L1728 PolarHBondContact O-N 3.49Å; A1723-Y1730 HydrophobicContact CB-CD2 4.5Å; A1723-I1733 VanDerWaalsContact CA-CD1 3.44Å; A1723-I1733 HydrophobicContact CB-CD1 4.01Å |
| 1724 | Q | 90.5 | Very high | 91 | Very high | 152 Ų | 152 | 66.4 Ų | 66.4 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.7 | -52.3 | 173.5 | -164.3 | 66.6 | 22 | 0 | 0 | 110.7 | K1720 S1721 L1726 C1727 | K1720-Q1724 PolarHBondContact O-N 3.01Å; K1720-Q1724 VanDerWaalsContact O-N 3.13Å; S1721-Q1724 CarbonylContact O-C 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CA 3.29Å; S1721-Q1724 WeakPolarHBondContact O-CB 3.3Å; S1721-Q1724 PolarHBondContact O-N 3.25Å; Q1724-L1726 PolarHBondContact O-N 3.08Å; Q1724-C1727 PolarHBondContact O-N 3.26Å; Q1724-C1727 VanDerWaalsContact O-N 3.09Å |
| 1725 | D | 90.6 | Very high | 91.1 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | -173.4 | -56.7 | -36.9 | 0 | 0 | 0 | 112.5 | S1721 L1722 | S1721-D1725 WeakPolarHBondContact CB-OD2 3.35Å; S1721-D1725 PolarHBondContact O-N 3.1Å; S1721-D1725 PolarHBondContact OG-OD2 2.93Å; L1722-D1725 PolarHBondContact N-OD2 3.38Å |
| 1726 | L | 91 | Very high | 91.2 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.2 | 178 | -58.3 | 174.3 | 0 | 0 | 0 | 113.5 | Q1699 V1702 L1703 L1722 Q1724 L1728 I1733 | Q1699-L1726 HydrophobicContact CG-CB 4.39Å; Q1699-L1726 HydrophobicContact CG-CD2 4.26Å; Q1699-L1726 PolarHBondContact NE2-O 3.09Å; V1702-L1726 HydrophobicContact CB-CD2 4.02Å; V1702-L1726 HydrophobicContact CG1-CD2 3.92Å; V1702-L1726 HydrophobicContact CG2-CD2 4.47Å; L1703-L1726 HydrophobicContact CD1-CD1 4.19Å; L1703-L1726 HydrophobicContact CD2-CD1 3.7Å; L1703-L1726 HydrophobicContact CG-CD1 3.6Å; L1722-L1726 WeakPolarHBondContact O-CB 3.43Å; L1722-L1726 VanDerWaalsContact O-CG 3.27Å; L1722-L1726 WeakPolarHBondContact O-CG 3.33Å; L1722-L1726 PolarHBondContact O-N 3.34Å; L1722-L1726 VanDerWaalsContact O-N 3.1Å; Q1724-L1726 PolarHBondContact O-N 3.08Å; L1726-L1728 HydrophobicContact CB-CB 4.43Å; L1726-L1728 HydrophobicContact CB-CD1 3.9Å; L1726-L1728 HydrophobicContact CB-CG 4.02Å; L1726-L1728 HydrophobicContact CD1-CD1 4.23Å; L1726-L1728 PolarHBondContact O-N 2.96Å; L1726-I1733 HydrophobicContact CD1-CD1 4.29Å |
| 1727 | C | 89.6 | Confident | 91.3 | Very high | 117 Ų | 117 | 64 Ų | 64 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 37.4 | -171.5 | -70.1 | 0 | 0 | 0 | 0 | 113.5 | A1723 Q1724 | A1723-C1727 PolarHBondContact O-N 2.79Å; Q1724-C1727 PolarHBondContact O-N 3.26Å; Q1724-C1727 VanDerWaalsContact O-N 3.09Å |
| 1728 | L | 90.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | trans | -111.5 | 140.7 | -177.9 | -71.5 | 174.8 | 0 | 0 | 0 | 111.3 | I1695 Q1699 L1703 A1723 L1726 Y1730 I1733 | I1695-L1728 HydrophobicContact CD1-CD1 4.47Å; I1695-L1728 HydrophobicContact CG1-CD1 4.25Å; I1695-L1728 HydrophobicContact CG1-CD2 4.42Å; I1695-L1728 HydrophobicContact CG2-CD1 4.07Å; Q1699-L1728 HydrophobicContact CB-CD1 4.37Å; L1703-L1728 HydrophobicContact CD1-CD1 4.48Å; A1723-L1728 CarbonylContact C-O 3.15Å; A1723-L1728 WeakPolarHBondContact CA-O 3.47Å; A1723-L1728 WeakPolarHBondContact CB-O 3.24Å; A1723-L1728 PolarHBondContact O-N 3.49Å; L1726-L1728 HydrophobicContact CB-CB 4.43Å; L1726-L1728 HydrophobicContact CB-CD1 3.9Å; L1726-L1728 HydrophobicContact CB-CG 4.02Å; L1726-L1728 HydrophobicContact CD1-CD1 4.23Å; L1726-L1728 PolarHBondContact O-N 2.96Å; L1728-Y1730 PolarHBondContact O-N 3.41Å; L1728-I1733 HydrophobicContact CB-CD1 4.09Å; L1728-I1733 HydrophobicContact CB-CG1 4.07Å; L1728-I1733 HydrophobicContact CD1-CD1 4.39Å; L1728-I1733 HydrophobicContact CD1-CG1 4.16Å | ||
| 1729 | P | 90.6 | Very high | 91 | Very high | 74 Ų | 74 | 65.5 Ų | 65.5 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | trans | -57.9 | 132.5 | 173.6 | -22.2 | 32.3 | 0 | 0 | 0 | 111.1 | K1731 T1732 I1733 | P1729-K1731 PolarHBondContact O-N 2.91Å; P1729-T1732 WeakPolarHBondContact O-CA 3.37Å; P1729-T1732 WeakPolarHBondContact O-CB 3.46Å; P1729-T1732 PolarHBondContact O-N 3.41Å; P1729-I1733 PolarHBondContact O-N 3.44Å | ||
| 1730 | Y | 93.4 | Very high | 90.7 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -47.1 | -39.7 | 177.9 | 176.5 | -97.2 | 0 | 0 | 0 | 113.4 | M1719 K1720 A1723 L1728 T1732 I1733 L1734 | M1719-Y1730 HydrophobicContact CB-CD2 4.34Å; M1719-Y1730 HydrophobicContact CB-CE2 3.63Å; M1719-Y1730 WeakPolarHBondContact O-CD2 3.49Å; K1720-Y1730 HydrophobicContact CG-CD2 3.93Å; K1720-Y1730 HydrophobicContact CG-CE2 3.88Å; A1723-Y1730 HydrophobicContact CB-CD2 4.5Å; L1728-Y1730 PolarHBondContact O-N 3.41Å; Y1730-T1732 VanDerWaalsContact C-N 3.29Å; Y1730-T1732 PolarHBondContact O-N 3.44Å; Y1730-I1733 PolarHBondContact O-N 3.2Å; Y1730-L1734 HydrophobicContact CE1-CD2 4.14Å; Y1730-L1734 WeakPolarHBondContact O-CB 3.31Å; Y1730-L1734 PolarHBondContact O-N 2.65Å |
| 1731 | K | 89.8 | Confident | 90.4 | Very high | 171 Ų | 171 | 62.6 Ų | 62.6 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.5 | -26.4 | 177.1 | -172.3 | 165.1 | -174.9 | 164.1 | 0 | 114 | P1729 S1735 | P1729-K1731 PolarHBondContact O-N 2.91Å; K1731-S1735 VanDerWaalsContact O-CB 3.22Å; K1731-S1735 WeakPolarHBondContact O-CB 3.33Å; K1731-S1735 PolarHBondContact O-N 3.36Å; K1731-S1735 VanDerWaalsContact O-N 3.12Å |
| 1732 | T | 90.6 | Very high | 89.7 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71 | -47.2 | 172.6 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | C1693 I1695 P1729 Y1730 S1735 W1736 | C1693-T1732 HydrophobicContact CB-CG2 3.9Å; C1693-T1732 PolarHBondContact SG-OG1 3.35Å; I1695-T1732 HydrophobicContact CD1-CG2 3.91Å; I1695-T1732 HydrophobicContact CG1-CG2 4.15Å; P1729-T1732 WeakPolarHBondContact O-CA 3.37Å; P1729-T1732 WeakPolarHBondContact O-CB 3.46Å; P1729-T1732 PolarHBondContact O-N 3.41Å; Y1730-T1732 VanDerWaalsContact C-N 3.29Å; Y1730-T1732 PolarHBondContact O-N 3.44Å; T1732-S1735 PolarHBondContact O-N 3Å; T1732-W1736 WeakPolarHBondContact O-CB 3.37Å; T1732-W1736 PolarHBondContact O-N 3.12Å |
| 1733 | I | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 176.7 | -70.6 | -178.2 | 0 | 0 | 0 | 111.1 | L1703 L1722 A1723 L1726 L1728 P1729 Y1730 S1735 W1736 I1737 | L1703-I1733 HydrophobicContact CD1-CG1 4.44Å; L1703-I1733 HydrophobicContact CD2-CD1 4.08Å; L1703-I1733 HydrophobicContact CD2-CG1 4.15Å; L1703-I1733 HydrophobicContact CD2-CG2 3.97Å; L1722-I1733 HydrophobicContact CB-CD1 3.93Å; L1722-I1733 VanDerWaalsContact O-CD1 3.22Å; L1722-I1733 WeakPolarHBondContact O-CD1 3.49Å; A1723-I1733 VanDerWaalsContact CA-CD1 3.44Å; A1723-I1733 HydrophobicContact CB-CD1 4.01Å; L1726-I1733 HydrophobicContact CD1-CD1 4.29Å; L1728-I1733 HydrophobicContact CB-CD1 4.09Å; L1728-I1733 HydrophobicContact CB-CG1 4.07Å; L1728-I1733 HydrophobicContact CD1-CD1 4.39Å; L1728-I1733 HydrophobicContact CD1-CG1 4.16Å; P1729-I1733 PolarHBondContact O-N 3.44Å; Y1730-I1733 PolarHBondContact O-N 3.2Å; I1733-S1735 PolarHBondContact O-N 3.36Å; I1733-W1736 CarbonylContact O-C 3.56Å; I1733-W1736 WeakPolarHBondContact O-CA 3.32Å; I1733-W1736 PolarHBondContact O-N 2.85Å; I1733-I1737 HydrophobicContact CG2-CD1 3.56Å; I1733-I1737 HydrophobicContact CG2-CG1 4.14Å; I1733-I1737 WeakPolarHBondContact O-CG1 3.47Å; I1733-I1737 PolarHBondContact O-N 3.43Å |
| 1734 | L | 91.9 | Very high | 88.4 | Confident | 76 Ų | 76 | 68.5 Ų | 68.5 | 40% | 0.398 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.4 | -40.7 | 176 | -176.1 | 68.3 | 0 | 0 | 0 | 112 | M1719 Y1730 H1738 | M1719-L1734 HydrophobicContact CE-CD1 4.01Å; M1719-L1734 HydrophobicContact SD-CD1 3.81Å; Y1730-L1734 HydrophobicContact CE1-CD2 4.14Å; Y1730-L1734 WeakPolarHBondContact O-CB 3.31Å; Y1730-L1734 PolarHBondContact O-N 2.65Å; L1734-H1738 WeakPolarHBondContact O-CB 3.45Å; L1734-H1738 PolarHBondContact O-N 2.91Å; L1734-H1738 VanDerWaalsContact O-N 3.14Å |
| 1735 | S | 88.1 | Confident | 87.3 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.9 | -22.8 | 175.7 | -174 | 0 | 0 | 0 | 0 | 113.8 | K1731 T1732 I1733 N1739 | K1731-S1735 VanDerWaalsContact O-CB 3.22Å; K1731-S1735 WeakPolarHBondContact O-CB 3.33Å; K1731-S1735 PolarHBondContact O-N 3.36Å; K1731-S1735 VanDerWaalsContact O-N 3.12Å; T1732-S1735 PolarHBondContact O-N 3Å; I1733-S1735 PolarHBondContact O-N 3.36Å; S1735-N1739 PolarHBondContact O-ND2 3.43Å |
| 1736 | W | 93 | Very high | 85.8 | Confident | 31 Ų | 31 | 69 Ų | 69 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78.7 | -50.1 | 174.6 | -175.7 | 94.5 | 0 | 0 | 0 | 110 | I1695 L1703 I1704 T1732 I1733 H1738 N1739 Y1740 | I1695-W1736 HydrophobicContact CD1-CB 4.09Å; I1695-W1736 HydrophobicContact CD1-CG 3.93Å; L1703-W1736 HydrophobicContact CB-CD2 4.45Å; L1703-W1736 HydrophobicContact CB-CE3 3.91Å; L1703-W1736 HydrophobicContact CB-CH2 3.78Å; L1703-W1736 HydrophobicContact CB-CZ2 4.29Å; L1703-W1736 HydrophobicContact CB-CZ3 3.57Å; L1703-W1736 HydrophobicContact CD1-CD2 3.96Å; L1703-W1736 HydrophobicContact CD1-CE3 4Å; L1703-W1736 HydrophobicContact CD1-CG 4.31Å; L1703-W1736 HydrophobicContact CG-CE3 4.43Å; I1704-W1736 HydrophobicContact CG1-CH2 3.75Å; I1704-W1736 HydrophobicContact CG1-CZ2 4.13Å; T1732-W1736 WeakPolarHBondContact O-CB 3.37Å; T1732-W1736 PolarHBondContact O-N 3.12Å; I1733-W1736 CarbonylContact O-C 3.56Å; I1733-W1736 WeakPolarHBondContact O-CA 3.32Å; I1733-W1736 PolarHBondContact O-N 2.85Å; W1736-H1738 VanDerWaalsContact C-N 3.32Å; W1736-H1738 PolarHBondContact O-N 2.91Å; W1736-N1739 CarbonylContact O-C 3.59Å; W1736-N1739 WeakPolarHBondContact O-CA 2.93Å; W1736-N1739 WeakPolarHBondContact O-CB 3.07Å; W1736-N1739 PolarHBondContact O-N 2.89Å; W1736-Y1740 HydrophobicContact CE3-CG 4.47Å; W1736-Y1740 AromaticContact CH2-CD1 3.91Å; W1736-Y1740 HydrophobicContact CH2-CD1 3.91Å; W1736-Y1740 AromaticContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CE1 4.3Å; W1736-Y1740 HydrophobicContact CH2-CE2 4.08Å; W1736-Y1740 AromaticContact CH2-CG 3.57Å; W1736-Y1740 HydrophobicContact CH2-CG 3.57Å; W1736-Y1740 AromaticContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CG 4.22Å; W1736-Y1740 AromaticContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD2 4.27Å; W1736-Y1740 AromaticContact CZ3-CG 3.71Å; W1736-Y1740 HydrophobicContact CZ3-CG 3.71Å; W1736-Y1740 WeakPolarHBondContact O-CB 3.43Å; W1736-Y1740 PolarHBondContact O-N 3.23Å |
| 1737 | I | 91.9 | Very high | 84 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 177.8 | -67 | 175.4 | 0 | 0 | 0 | 110.9 | L1712 L1714 M1719 I1733 N1739 Y1740 G1741 | L1712-I1737 HydrophobicContact CD2-CG2 3.68Å; L1714-I1737 HydrophobicContact CD2-CD1 4.2Å; M1719-I1737 HydrophobicContact CG-CD1 3.72Å; M1719-I1737 HydrophobicContact SD-CD1 3.82Å; I1733-I1737 HydrophobicContact CG2-CD1 3.56Å; I1733-I1737 HydrophobicContact CG2-CG1 4.14Å; I1733-I1737 WeakPolarHBondContact O-CG1 3.47Å; I1733-I1737 PolarHBondContact O-N 3.43Å; I1737-N1739 VanDerWaalsContact C-N 3.32Å; I1737-N1739 PolarHBondContact O-N 3.5Å; I1737-Y1740 PolarHBondContact O-N 3.42Å; I1737-G1741 PolarHBondContact O-N 3.45Å |
| 1738 | H | 85.9 | Confident | 82.1 | Confident | 144 Ų | 144 | 70.2 Ų | 70.2 | 67% | 0.667 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.1 | -36.8 | 175 | -174.8 | -51.9 | 0 | 0 | 0 | 112.8 | L1734 W1736 A1742 | L1734-H1738 WeakPolarHBondContact O-CB 3.45Å; L1734-H1738 PolarHBondContact O-N 2.91Å; L1734-H1738 VanDerWaalsContact O-N 3.14Å; W1736-H1738 VanDerWaalsContact C-N 3.32Å; W1736-H1738 PolarHBondContact O-N 2.91Å; H1738-A1742 WeakPolarHBondContact O-CB 3.43Å; H1738-A1742 PolarHBondContact O-N 2.88Å |
| 1739 | N | 85 | Confident | 79.7 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.5 | -35.7 | 175.7 | -68.4 | -25.6 | 0 | 0 | 0 | 111.5 | S1735 W1736 I1737 A1742 Y1743 | S1735-N1739 PolarHBondContact O-ND2 3.43Å; W1736-N1739 CarbonylContact O-C 3.59Å; W1736-N1739 WeakPolarHBondContact O-CA 2.93Å; W1736-N1739 WeakPolarHBondContact O-CB 3.07Å; W1736-N1739 PolarHBondContact O-N 2.89Å; I1737-N1739 VanDerWaalsContact C-N 3.32Å; I1737-N1739 PolarHBondContact O-N 3.5Å; N1739-A1742 PolarHBondContact O-N 3.38Å; N1739-Y1743 WeakPolarHBondContact O-CB 3.49Å; N1739-Y1743 PolarHBondContact O-N 3.37Å |
| 1740 | Y | 87 | Confident | 77.2 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 21% | 0.212 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.8 | -44.8 | -180 | -173.9 | -112.1 | 0 | 0 | 0 | 111.7 | I1704 C1707 W1736 I1737 A1742 Y1743 I1744 | I1704-Y1740 HydrophobicContact CG1-CE2 4.03Å; C1707-Y1740 HydrophobicContact CB-CD1 4.15Å; C1707-Y1740 HydrophobicContact CB-CE1 3.79Å; W1736-Y1740 HydrophobicContact CE3-CG 4.47Å; W1736-Y1740 AromaticContact CH2-CD1 3.91Å; W1736-Y1740 HydrophobicContact CH2-CD1 3.91Å; W1736-Y1740 AromaticContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CD2 3.65Å; W1736-Y1740 HydrophobicContact CH2-CE1 4.3Å; W1736-Y1740 HydrophobicContact CH2-CE2 4.08Å; W1736-Y1740 AromaticContact CH2-CG 3.57Å; W1736-Y1740 HydrophobicContact CH2-CG 3.57Å; W1736-Y1740 AromaticContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CD2 3.98Å; W1736-Y1740 HydrophobicContact CZ2-CG 4.22Å; W1736-Y1740 AromaticContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD1 3.87Å; W1736-Y1740 HydrophobicContact CZ3-CD2 4.27Å; W1736-Y1740 AromaticContact CZ3-CG 3.71Å; W1736-Y1740 HydrophobicContact CZ3-CG 3.71Å; W1736-Y1740 WeakPolarHBondContact O-CB 3.43Å; W1736-Y1740 PolarHBondContact O-N 3.23Å; I1737-Y1740 PolarHBondContact O-N 3.42Å; Y1740-A1742 PolarHBondContact O-N 2.8Å; Y1740-Y1743 WeakPolarHBondContact O-CB 3.42Å; Y1740-Y1743 PolarHBondContact O-N 2.6Å; Y1740-Y1743 VanDerWaalsContact O-N 3.17Å; Y1740-I1744 HydrophobicContact CD1-CD1 3.92Å; Y1740-I1744 HydrophobicContact CE1-CD1 3.47Å; Y1740-I1744 VanDerWaalsContact CE1-CD1 3.47Å; Y1740-I1744 HydrophobicContact CE1-CG1 4.47Å; Y1740-I1744 HydrophobicContact CE2-CD1 4.48Å; Y1740-I1744 WeakPolarHBondContact O-CG1 3.13Å; Y1740-I1744 PolarHBondContact O-N 3.01Å |
| 1741 | G | 86.5 | Confident | 74.5 | Confident | 17 Ų | 17 | 82 Ų | 82 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1737 Y1743 I1744 Q1745 | I1737-G1741 PolarHBondContact O-N 3.45Å; G1741-Y1743 VanDerWaalsContact C-N 3.33Å; G1741-Y1743 PolarHBondContact O-N 2.88Å; G1741-I1744 PolarHBondContact O-N 2.93Å; G1741-Q1745 WeakPolarHBondContact O-CG 3.48Å; G1741-Q1745 PolarHBondContact O-N 2.95Å |
| 1742 | A | 79.4 | Confident | 71.6 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1738 N1739 Y1740 Q1745 Q1746 | H1738-A1742 WeakPolarHBondContact O-CB 3.43Å; H1738-A1742 PolarHBondContact O-N 2.88Å; N1739-A1742 PolarHBondContact O-N 3.38Å; Y1740-A1742 PolarHBondContact O-N 2.8Å; A1742-Q1745 PolarHBondContact O-N 3.21Å; A1742-Q1746 WeakPolarHBondContact O-CG 3.39Å; A1742-Q1746 PolarHBondContact O-N 3.46Å |
| 1743 | Y | 81 | Confident | 68.5 | Low | 129 Ų | 129 | 83.4 Ų | 83.4 | 51% | 0.506 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 174.7 | 177.6 | -107.9 | 0 | 0 | 0 | 112.2 | N1739 Y1740 G1741 Q1746 N1747 | N1739-Y1743 WeakPolarHBondContact O-CB 3.49Å; N1739-Y1743 PolarHBondContact O-N 3.37Å; Y1740-Y1743 WeakPolarHBondContact O-CB 3.42Å; Y1740-Y1743 PolarHBondContact O-N 2.6Å; Y1740-Y1743 VanDerWaalsContact O-N 3.17Å; G1741-Y1743 VanDerWaalsContact C-N 3.33Å; G1741-Y1743 PolarHBondContact O-N 2.88Å; Y1743-Q1746 PolarHBondContact O-N 3.27Å; Y1743-N1747 VanDerWaalsContact CE1-ND2 3.31Å; Y1743-N1747 WeakPolarHBondContact CE1-ND2 3.35Å; Y1743-N1747 PolarHBondContact O-N 3.01Å; Y1743-N1747 PolarHBondContact OH-ND2 3.3Å; Y1743-N1747 VanDerWaalsContact OH-ND2 3.11Å |
| 1744 | I | 77.5 | Confident | 65.4 | Low | 53 Ų | 53 | 90.6 Ų | 90.6 | 27% | 0.272 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 172.9 | -70.8 | 172.2 | 0 | 0 | 0 | 110.8 | L1712 Y1740 G1741 Q1746 N1747 N1748 | L1712-I1744 HydrophobicContact CD1-CD1 4.2Å; Y1740-I1744 HydrophobicContact CD1-CD1 3.92Å; Y1740-I1744 HydrophobicContact CE1-CD1 3.47Å; Y1740-I1744 VanDerWaalsContact CE1-CD1 3.47Å; Y1740-I1744 HydrophobicContact CE1-CG1 4.47Å; Y1740-I1744 HydrophobicContact CE2-CD1 4.48Å; Y1740-I1744 WeakPolarHBondContact O-CG1 3.13Å; Y1740-I1744 PolarHBondContact O-N 3.01Å; G1741-I1744 PolarHBondContact O-N 2.93Å; I1744-Q1746 VanDerWaalsContact C-N 3.34Å; I1744-Q1746 PolarHBondContact O-N 2.88Å; I1744-N1747 PolarHBondContact O-N 3.2Å; I1744-N1748 WeakPolarHBondContact O-CB 3.44Å; I1744-N1748 PolarHBondContact O-N 3.31Å |
| 1745 | Q | 68.5 | Low | 62.3 | Low | 138 Ų | 138 | 93.8 Ų | 93.8 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 176 | -75.1 | 177.2 | -12 | 0 | 0 | 112.4 | G1741 A1742 Q1749 | G1741-Q1745 WeakPolarHBondContact O-CG 3.48Å; G1741-Q1745 PolarHBondContact O-N 2.95Å; A1742-Q1745 PolarHBondContact O-N 3.21Å; Q1745-Q1749 WeakPolarHBondContact O-CG 3.39Å; Q1745-Q1749 PolarHBondContact O-N 3.33Å; Q1745-Q1749 VanDerWaalsContact O-N 3.15Å |
| 1746 | Q | 57.7 | Low | 59.3 | Low | 131 Ų | 131 | 96.8 Ų | 96.8 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.6 | -41.5 | 176 | -74.2 | -179.2 | -10.2 | 0 | 0 | 112.9 | A1742 Y1743 I1744 Q1749 S1750 | A1742-Q1746 WeakPolarHBondContact O-CG 3.39Å; A1742-Q1746 PolarHBondContact O-N 3.46Å; Y1743-Q1746 PolarHBondContact O-N 3.27Å; I1744-Q1746 VanDerWaalsContact C-N 3.34Å; I1744-Q1746 PolarHBondContact O-N 2.88Å; Q1746-Q1749 PolarHBondContact O-N 2.94Å; Q1746-S1750 PolarHBondContact O-N 3.19Å; Q1746-S1750 PolarHBondContact O-OG 3.34Å |
| 1747 | N | 53.3 | Low | 56.2 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 34% | 0.342 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.9 | -36.3 | 177.4 | -82.4 | 0.8 | 0 | 0 | 0 | 112.7 | Y1743 I1744 Q1749 S1750 K1751 | Y1743-N1747 VanDerWaalsContact CE1-ND2 3.31Å; Y1743-N1747 WeakPolarHBondContact CE1-ND2 3.35Å; Y1743-N1747 PolarHBondContact O-N 3.01Å; Y1743-N1747 PolarHBondContact OH-ND2 3.3Å; Y1743-N1747 VanDerWaalsContact OH-ND2 3.11Å; I1744-N1747 PolarHBondContact O-N 3.2Å; N1747-Q1749 VanDerWaalsContact C-N 3.31Å; N1747-Q1749 PolarHBondContact O-N 3.47Å; N1747-S1750 WeakPolarHBondContact CA-OG 3.28Å; N1747-S1750 PolarHBondContact O-N 2.92Å; N1747-S1750 PolarHBondContact O-OG 3.48Å; N1747-K1751 WeakPolarHBondContact O-CB 3.39Å; N1747-K1751 PolarHBondContact O-N 3.3Å |
| 1748 | N | 49.5 | Very low | 53.3 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.3 | -29.5 | 176.7 | -72.3 | -0.6 | 0 | 0 | 0 | 111.8 | I1744 | I1744-N1748 WeakPolarHBondContact O-CB 3.44Å; I1744-N1748 PolarHBondContact O-N 3.31Å |
| 1749 | Q | 41.3 | Very low | 50.6 | Low | 154 Ų | 154 | 105.5 Ų | 105.5 | 72% | 0.72 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71 | -35.8 | 169.4 | -74.2 | 178.4 | -13.7 | 0 | 0 | 112.6 | Q1745 Q1746 N1747 | Q1745-Q1749 WeakPolarHBondContact O-CG 3.39Å; Q1745-Q1749 PolarHBondContact O-N 3.33Å; Q1745-Q1749 VanDerWaalsContact O-N 3.15Å; Q1746-Q1749 PolarHBondContact O-N 2.94Å; N1747-Q1749 VanDerWaalsContact C-N 3.31Å; N1747-Q1749 PolarHBondContact O-N 3.47Å |
| 1750 | S | 38.9 | Very low | 47.9 | Very low | 73 Ų | 73 | 109.7 Ų | 109.7 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -78.6 | -19.1 | 178.3 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | Q1746 N1747 | Q1746-S1750 PolarHBondContact O-N 3.19Å; Q1746-S1750 PolarHBondContact O-OG 3.34Å; N1747-S1750 WeakPolarHBondContact CA-OG 3.28Å; N1747-S1750 PolarHBondContact O-N 2.92Å; N1747-S1750 PolarHBondContact O-OG 3.48Å |
| 1751 | K | 35.2 | Very low | 45.2 | Very low | 190 Ų | 190 | 112.1 Ų | 112.1 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 7.9 | 175.8 | -148.1 | 179.6 | 179.7 | -174.6 | 0 | 114.3 | N1747 | N1747-K1751 WeakPolarHBondContact O-CB 3.39Å; N1747-K1751 PolarHBondContact O-N 3.3Å |
| 1752 | L | 29 | Very low | 42.4 | Very low | 161 Ų | 161 | 120.4 Ų | 120.4 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 21.5 | 176.8 | -126 | 151.5 | 0 | 0 | 0 | 112 | ||
| 1753 | G | 26.9 | Very low | 40 | Very low | 62 Ų | 62 | 123.1 Ų | 123.1 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -153.8 | 26.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1754 | I | 26.4 | Very low | 37.4 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -143.9 | 62.9 | 168.3 | -43.4 | 177.7 | 0 | 0 | 0 | 111.2 | ||
| 1755 | V | 25.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -156.9 | 96.5 | 142.5 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | ||
| 1756 | S | 25.1 | Very low | 33.2 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -177.7 | 151.3 | 156.1 | -78.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1757 | D | 28.9 | Very low | 31.7 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 90% | 0.904 | 74% | 0.74 | S | S | * | * | trans | 98.7 | 83.6 | -179.5 | -58.4 | -4.4 | 0 | 0 | 0 | 115.4 | ||||
| 1758 | A | 29.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -150.6 | 79.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1759 | A | 30.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | 65.5 | 121.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1760 | D | 27.3 | Very low | 28.6 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -71.2 | 142.1 | 156.7 | -56.1 | -80.3 | 0 | 0 | 0 | 111.5 | ||||
| 1761 | S | 30.6 | Very low | 28 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 176 | 121.8 | 127.3 | 28.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1762 | E | 28.7 | Very low | 27.6 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 52.8 | 141 | 150.8 | -59.9 | 177.3 | 163.9 | 0 | 0 | 119.9 | ||||
| 1763 | S | 28.7 | Very low | 27.8 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -172.5 | 149.5 | -14.1 | 50.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1764 | D | 26.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 42.7 | 123.4 | 163.2 | -47.9 | -25.9 | 0 | 0 | 0 | 119 | ||||
| 1765 | Y | 29.6 | Very low | 28.2 | Very low | 213 Ų | 213 | 135 Ų | 135 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | -166.3 | 151.3 | 66.7 | -107.2 | -99.1 | 0 | 0 | 0 | 111.5 | |||||
| 1766 | S | 27.1 | Very low | 28.5 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | 32.1 | 131.1 | 151.4 | -53.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1767 | I | 27.4 | Very low | 29 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | 62.8 | 119.7 | 58.1 | -59.4 | 173.3 | 0 | 0 | 0 | 110.6 | |||||
| 1768 | E | 25.9 | Very low | 29.2 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | cis | -155.2 | 157 | 1.8 | -132.9 | 166.7 | -151.8 | 0 | 0 | 113.5 | ||||
| 1769 | E | 26.1 | Very low | 29.4 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | 58.4 | 165.9 | 141.4 | -118.2 | -160.8 | -150.5 | 0 | 0 | 125.8 | ||||
| 1770 | S | 26.3 | Very low | 29.5 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | trans | 66.4 | 99 | 151.4 | -79.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1771 | N | 26.2 | Very low | 29.7 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | trans | -9.8 | 133.5 | 151.2 | -49.2 | -77.7 | 0 | 0 | 0 | 117.1 | ||||
| 1772 | D | 27.5 | Very low | 29.8 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 52% | 0.524 | 71% | 0.711 | S | S | . | * | trans | -155.1 | 173.8 | 143.4 | -138.3 | -9.9 | 0 | 0 | 0 | 117 | T1793 | D1772-T1793 WeakPolarHBondContact OD1-CB 2.93Å; D1772-T1793 PolarHBondContact OD1-OG1 3.22Å | ||
| 1773 | K | 32.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 136 Ų | 136 | 48% | 0.483 | 70% | 0.702 | S | S | . | * | trans | -167.9 | 174 | -172 | -90.3 | -176.4 | -174.6 | 179.1 | 0 | 108.5 | S1792 T1793 I1794 | K1773-S1792 WeakPolarHBondContact CD-OG 3.45Å; K1773-S1792 PolarHBondContact NZ-OG 2.97Å; K1773-T1793 VanDerWaalsContact C-OG1 3.3Å; K1773-T1793 WeakPolarHBondContact CB-OG1 3.09Å; K1773-T1793 PolarHBondContact N-OG1 3.16Å; K1773-T1793 WeakPolarHBondContact O-CB 3.11Å; K1773-T1793 PolarHBondContact O-N 3.14Å; K1773-T1793 PolarHBondContact O-OG1 3.49Å; K1773-I1794 PolarHBondContact O-N 3.31Å | ||
| 1774 | L | 29.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | cis | -118.3 | -100 | -11.1 | -156.3 | 164.7 | 0 | 0 | 0 | 105.6 | T1791 S1792 | L1774-T1791 WeakPolarHBondContact CD1-O 3.3Å; L1774-S1792 WeakPolarHBondContact CB-O 2.96Å | ||
| 1775 | Y | 33.2 | Very low | 30.7 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 73% | 0.725 | 71% | 0.706 | S | S | * | * | trans | -155.1 | 153.2 | -178.3 | -91.8 | -103.1 | 0 | 0 | 0 | 106.6 | ||||
| 1776 | D | 31.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | -166 | 163.1 | 92.2 | -102.4 | -38.3 | 0 | 0 | 0 | 113.2 | |||||
| 1777 | N | 35.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | -109.8 | 153.3 | 168.9 | -74.7 | -77.6 | 0 | 0 | 0 | 110 | ||||
| 1778 | D | 33.1 | Very low | 32 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -52.7 | 157.1 | 170.3 | -73.3 | -63.6 | 0 | 0 | 0 | 114.1 | ||||
| 1779 | V | 34.2 | Very low | 32.3 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | cis | -157.8 | 152.8 | 13 | 94.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1780 | S | 33.1 | Very low | 32.4 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | 55.5 | 122.7 | 151.7 | -61.8 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1781 | L | 31.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | trans | 69.7 | 143 | 132.7 | -62.7 | 169.5 | 0 | 0 | 0 | 119.7 | ||||
| 1782 | E | 32.4 | Very low | 32.8 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | cis | -143.9 | 123.7 | 9.7 | -176.6 | 159.2 | -159.9 | 0 | 0 | 115.1 | ||||
| 1783 | K | 35.2 | Very low | 33.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | trans | 44.2 | 129.1 | 146.9 | -62.2 | 168.6 | -163.2 | 154.3 | 0 | 123.9 | ||||
| 1784 | Q | 33 | Very low | 33.5 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | trans | 119.1 | 125.2 | 135.1 | -65.6 | -123.6 | 10.5 | 0 | 0 | 119.9 | ||||
| 1785 | H | 33.7 | Very low | 33.6 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 70% | 0.704 | 71% | 0.71 | S | S | * | * | trans | 76.4 | 106.6 | 154.6 | -93.9 | -59.6 | 0 | 0 | 0 | 123.9 | ||||
| 1786 | K | 33.9 | Very low | 33.6 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | 82.8 | 161 | 141.1 | -95.7 | -175.2 | 174.9 | 177.5 | 0 | 118.1 | ||||
| 1787 | P | 39.4 | Very low | 33.5 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | -127.9 | -160.7 | -121.1 | 49 | -34 | 0 | 0 | 0 | 112.8 | |||||
| 1788 | P | 39.2 | Very low | 33.6 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | cis | -138 | 163.9 | -3.9 | 39.6 | -20.7 | 0 | 0 | 0 | 118.6 | ||||
| 1789 | I | 32 | Very low | 33.6 | Very low | 166 Ų | 166 | 125 Ų | 125 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | 70.2 | 133.6 | 152 | -65.6 | 157.4 | 0 | 0 | 0 | 119.7 | ||||
| 1790 | T | 28.8 | Very low | 33.5 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -146 | -178.9 | -172.8 | 51.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1791 | T | 30.1 | Very low | 33.5 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | -151.1 | 149.4 | 173.4 | 38.2 | 0 | 0 | 0 | 0 | 114.3 | L1774 | L1774-T1791 WeakPolarHBondContact CD1-O 3.3Š| ||
| 1792 | S | 31.2 | Very low | 33.5 | Very low | 57 Ų | 57 | 127.2 Ų | 127.2 | 40% | 0.399 | 70% | 0.699 | S | S | . | * | trans | 66.2 | 153.5 | 153.5 | 38.7 | 0 | 0 | 0 | 0 | 120.5 | K1773 L1774 | K1773-S1792 WeakPolarHBondContact CD-OG 3.45Å; K1773-S1792 PolarHBondContact NZ-OG 2.97Å; L1774-S1792 WeakPolarHBondContact CB-O 2.96Å | ||
| 1793 | T | 33.9 | Very low | 33.6 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 53% | 0.528 | 70% | 0.703 | S | S | . | * | cis | -144.4 | -89.2 | -20.8 | 10.9 | 0 | 0 | 0 | 0 | 116.7 | D1772 K1773 | D1772-T1793 WeakPolarHBondContact OD1-CB 2.93Å; D1772-T1793 PolarHBondContact OD1-OG1 3.22Å; K1773-T1793 VanDerWaalsContact C-OG1 3.3Å; K1773-T1793 WeakPolarHBondContact CB-OG1 3.09Å; K1773-T1793 PolarHBondContact N-OG1 3.16Å; K1773-T1793 WeakPolarHBondContact O-CB 3.11Å; K1773-T1793 PolarHBondContact O-N 3.14Å; K1773-T1793 PolarHBondContact O-OG1 3.49Å | ||
| 1794 | I | 38.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 56% | 0.564 | 70% | 0.704 | S | S | * | * | trans | -139.6 | 156.3 | -141.3 | -79.4 | 158.6 | 0 | 0 | 0 | 117.8 | K1773 | K1773-I1794 PolarHBondContact O-N 3.31Š| ||
| 1795 | T | 32.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 120.4 Ų | 120.4 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -164.9 | 133.1 | 142.7 | -1.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1796 | A | 32.8 | Very low | 33.3 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | trans | 49.4 | 156.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1797 | T | 30.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | cis | -170.5 | 148.6 | -29.3 | 34.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1798 | T | 36.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 80% | 0.798 | 69% | 0.691 | S | S | * | * | trans | 179.9 | 122.6 | 147 | 15.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1799 | T | 34 | Very low | 32.1 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | 35.8 | 140.5 | 126.3 | 59.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 1800 | D | 30.9 | Very low | 32 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | cis | -173.2 | -178.4 | -2.8 | -136.8 | -61.8 | 0 | 0 | 0 | 113.8 | ||||
| 1801 | H | 34.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 117 Ų | 117 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | trans | 78 | 143.9 | 148.9 | -70.4 | 3.9 | 0 | 0 | 0 | 120.6 | ||||
| 1802 | L | 31.1 | Very low | 32 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | cis | -166.9 | 171.1 | -14.7 | -121.7 | 176.7 | 0 | 0 | 0 | 113.1 | ||||
| 1803 | T | 34.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | 70.7 | 146 | 162.6 | 56.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1804 | S | 32.8 | Very low | 31.9 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | cis | -178.9 | 157.5 | -14.2 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1805 | S | 31.8 | Very low | 31.6 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | cis | -179.1 | 147.4 | -12.4 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1806 | S | 31.2 | Very low | 31.4 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | 63 | 165 | 150.7 | -74.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1807 | S | 29.8 | Very low | 31.6 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | cis | -168.5 | 159.2 | -26.6 | -100.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1808 | D | 29.9 | Very low | 31.7 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | trans | 60.6 | 121.5 | 145.4 | -73.9 | -68.3 | 0 | 0 | 0 | 123.6 | ||||
| 1809 | Q | 27.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | 93.7 | 137.3 | 121.1 | -78.7 | 176.7 | 54.1 | 0 | 0 | 124.8 | |||||
| 1810 | Y | 29 | Very low | 31.5 | Very low | 199 Ų | 199 | 132.3 Ų | 132.3 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | trans | 62.4 | 129.4 | 160.5 | -75.6 | -126.6 | 0 | 0 | 0 | 117.8 | ||||
| 1811 | V | 27.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | cis | 89.8 | 87.8 | 32.5 | -178 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1812 | D | 31.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | -174.1 | 135.5 | 122.9 | -100.2 | -17.1 | 0 | 0 | 0 | 110.1 | |||||
| 1813 | K | 32.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | 63.1 | 135.3 | 79.1 | -64.1 | -164.5 | -153.9 | 91.6 | 0 | 113.7 | |||||
| 1814 | Q | 30.2 | Very low | 31.7 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | cis | -164.1 | 178.9 | -0.6 | -125.6 | 173.6 | 0.2 | 0 | 0 | 113 | ||||
| 1815 | H | 33 | Very low | 31.4 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | 95.4 | 150.3 | 160.4 | -100.8 | -93.1 | 0 | 0 | 0 | 121.9 | ||||
| 1816 | L | 28.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 80% | 0.801 | 72% | 0.723 | S | S | * | * | trans | -97.1 | 172.2 | -159.7 | -108.2 | 72.8 | 0 | 0 | 0 | 113 | ||||
| 1817 | P | 36.9 | Very low | 31.5 | Very low | 105 Ų | 105 | 144 Ų | 144 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | cis | -145.1 | 177.3 | 35.8 | 41.4 | -20.7 | 0 | 0 | 0 | 120.1 | ||||
| 1818 | H | 32.8 | Very low | 31.6 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | trans | 82.8 | 125.7 | 158.6 | -75.5 | -60.2 | 0 | 0 | 0 | 123.2 | ||||
| 1819 | N | 32.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | 80.6 | 97 | 138.9 | -72.1 | -14.6 | 0 | 0 | 0 | 123.2 | ||||
| 1820 | R | 32.6 | Very low | 31.6 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 44% | 0.442 | 74% | 0.735 | S | S | . | * | 103.2 | 160.2 | 120.8 | -74.2 | -163.4 | -174.3 | -164.9 | 10.8 | 119.9 | E1345 N1346 | E1345-R1820 VanDerWaalsContact O-CZ 3.3Å; E1345-R1820 PolarHBondContact O-NH1 3Å; E1345-R1820 PolarHBondContact O-NH2 2.93Å; E1345-R1820 IonicContact OE2-CZ 3.77Å; E1345-R1820 IonicContact OE2-NH1 2.71Å; E1345-R1820 PolarHBondContact OE2-NH1 3Å; N1346-R1820 PolarHBondContact OD1-NH1 2.75Å; N1346-R1820 VanDerWaalsContact OD1-NH1 3.08Å; N1346-R1820 PolarHBondContact OD1-NH2 2.84Å | |||
| 1821 | R | 32.8 | Very low | 31.6 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -109.4 | 153 | -156.5 | -71.4 | 178.8 | 170.9 | 162.3 | -3.9 | 112.6 | ||||
| 1822 | K | 32.5 | Very low | 31.8 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | -78.7 | -176.4 | 160.6 | -108.8 | 173.4 | -175.1 | 175.8 | 0 | 109.7 | ||||
| 1823 | P | 38.8 | Very low | 31.9 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | cis | -142 | -166.1 | -7 | 23.1 | 4.5 | 0 | 0 | 0 | 115.3 | ||||
| 1824 | I | 31.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 105.6 | 133.9 | 147.9 | -51.7 | -167 | 0 | 0 | 0 | 117.7 | ||||
| 1825 | N | 27.2 | Very low | 32 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -121.9 | -171.7 | -174.8 | -128.9 | -14.9 | 0 | 0 | 0 | 107 | ||||
| 1826 | P | 37.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -132.3 | 171.9 | 2.8 | 39.2 | -20.7 | 0 | 0 | 0 | 116.5 | ||||
| 1827 | T | 27.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -126.8 | 142.3 | 152.2 | -68.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1828 | R | 31.8 | Very low | 31.9 | Very low | 226 Ų | 226 | 137.8 Ų | 137.8 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 145.2 | 157.2 | 161.5 | -89.3 | -172.3 | 174.2 | -143 | -2.9 | 111.7 | ||||
| 1829 | L | 30 | Very low | 32.5 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | cis | -154.2 | -171.5 | -24.4 | -161.3 | 103.3 | 0 | 0 | 0 | 107.3 | ||||
| 1830 | A | 27.7 | Very low | 32.4 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | trans | -90.4 | 156.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1831 | C | 28 | Very low | 32.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 52.1 | 106.2 | 151.9 | -60.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1832 | A | 33 | Very low | 32.5 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | 71.2 | 110.1 | 116.1 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1833 | V | 32.6 | Very low | 32.5 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | 68.8 | 146 | 139.2 | -171.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1834 | A | 31.9 | Very low | 32.1 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -124.9 | 173.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1835 | V | 32.9 | Very low | 32.7 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 172.1 | 119.6 | 130.1 | 149.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1836 | V | 32.4 | Very low | 33 | Very low | 120 Ų | 120 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 56.1 | 100.1 | 142.2 | -173 | 0 | 0 | 0 | 0 | 123 | ||||
| 1837 | N | 33.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | 40.7 | 126.5 | 117 | -56.6 | -4.3 | 0 | 0 | 0 | 126.1 | |||||
| 1838 | S | 31.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | 73.6 | 164.4 | 126.9 | -58.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 1839 | P | 44.3 | Very low | 32.7 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | cis | -134.6 | 164.3 | 3.9 | 43.1 | -26.7 | 0 | 0 | 0 | 118.9 | ||||
| 1840 | D | 31 | Very low | 32.6 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | trans | 54 | 130.8 | 141.1 | -82.7 | 12.1 | 0 | 0 | 0 | 127.7 | ||||
| 1841 | K | 35.2 | Very low | 32.7 | Very low | 184 Ų | 184 | 124.1 Ų | 124.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | 71.8 | 138.1 | 139.9 | -68.9 | 162.3 | -176.1 | 141 | 0 | 118.8 | ||||
| 1842 | S | 32.1 | Very low | 32.8 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | cis | -156.5 | 133.2 | 3.8 | 54.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1843 | I | 32.3 | Very low | 32.7 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 73.8 | 125.2 | 136 | -62.3 | 170.3 | 0 | 0 | 0 | 120.9 | ||||
| 1844 | H | 31.4 | Very low | 32.8 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 72.6 | 147.6 | 162.6 | -78.4 | -49.1 | 0 | 0 | 0 | 120.2 | ||||
| 1845 | P | 42.8 | Very low | 32.7 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | -142.6 | 179.4 | -124.1 | 43.1 | -23.8 | 0 | 0 | 0 | 118.6 | |||||
| 1846 | A | 34.3 | Very low | 32.8 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 90.4 | 109.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1847 | T | 34.1 | Very low | 32.9 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | 67.7 | 141.7 | 141.2 | 56.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1848 | L | 28 | Very low | 33 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | cis | -156.9 | 155.9 | 6.8 | -125.9 | 164.1 | 0 | 0 | 0 | 112.8 | ||||
| 1849 | S | 28.2 | Very low | 33.1 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | 65.6 | 114.5 | 153.8 | 51.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1850 | N | 28.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 90.4 | 134.1 | 130.2 | -64.5 | 2.5 | 0 | 0 | 0 | 123.5 | ||||
| 1851 | S | 28.3 | Very low | 33.4 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 92.7 | 94 | 151.6 | -55.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1852 | N | 30.8 | Very low | 33.2 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 19.8 | 141.6 | 137.8 | -48.9 | -8.3 | 0 | 0 | 0 | 121.6 | ||||
| 1853 | E | 30.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | -170 | 149.8 | 110.8 | -107.2 | 177.4 | -155.7 | 0 | 0 | 115.7 | |||||
| 1854 | H | 34.6 | Very low | 33.3 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 63% | 0.625 | 77% | 0.774 | S | S | * | * | trans | 51.8 | 152.3 | 158.3 | -74.5 | -70.8 | 0 | 0 | 0 | 125 | ||||
| 1855 | E | 30.9 | Very low | 33.4 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -122.3 | 170 | 179.9 | -69.3 | -168.8 | 148.9 | 0 | 0 | 113.1 | ||||
| 1856 | N | 35 | Very low | 32.9 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 86.3 | 106.7 | 149.8 | -68.3 | -56.2 | 0 | 0 | 0 | 120.4 | ||||
| 1857 | L | 33.4 | Very low | 32.8 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | -155.5 | 149.2 | 121.3 | -107.3 | 158.1 | 0 | 0 | 0 | 110.5 | |||||
| 1858 | I | 35.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -128 | 144.3 | -171 | -62.4 | 167.2 | 0 | 0 | 0 | 109 | ||||
| 1859 | V | 34.2 | Very low | 33.1 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 173.3 | 146.2 | 157.3 | 131.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1860 | P | 47.3 | Very low | 33.4 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | cis | -147.2 | -172.5 | -23.6 | 46.9 | -30.1 | 0 | 0 | 0 | 115.8 | ||||
| 1861 | V | 35 | Very low | 33.9 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 65.3 | 136.3 | 154.7 | 173 | 0 | 0 | 0 | 0 | 118 | ||||
| 1862 | T | 31 | Very low | 34.4 | Very low | 203 Ų | 203 | 147.7 Ų | 147.7 | 100% | 1.245 | 80% | 0.798 | S | S | * | * | cis | -101.6 | 0 | -4 | 51.1 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 1,862 of 1,862 residues in 1767 ms
(Link to these results)